data_r4cbosf
# 
_audit.revision_id     1_0 
_audit.creation_date   ? 
_audit.update_record   'Initial release' 
# 
_cell.entry_id      4cbo 
_cell.length_a      44.1400 
_cell.length_b      67.3100 
_cell.length_c      133.1401 
_cell.angle_alpha   90.0000 
_cell.angle_beta    90.0000 
_cell.angle_gamma   90.0000 
# 
_diffrn.id                  1 
_diffrn.crystal_id          1 
_diffrn.ambient_temp        ? 
_diffrn.crystal_treatment   ? 
_diffrn.details             ? 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.00000 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   1.800 
_diffrn_reflns.pdbx_d_res_low    66.570 
_diffrn_reflns.limit_h_max       24 
_diffrn_reflns.limit_h_min       0 
_diffrn_reflns.limit_k_max       37 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       73 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            37649 
_diffrn_reflns.pdbx_number_obs   37155 
# 
_entry.id   4cbo 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               4cbo 
_symmetry.space_group_name_H-M   'P 21 21 21' 
_symmetry.Int_Tables_number      19 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1 'X,  Y,  Z'           
2 'X+1/2,  -Y+1/2,  -Z' 
3 '-X,  Y+1/2,  -Z+1/2' 
4 '-X+1/2,  -Y,  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    0    0    4 o  396.164   22.175  377.073   57.225  377.073   57.225  377.073   57.225  396.164   31.360  396.164   31.360 0.000000 0.000000 
1 1 1    0    0    6 o  106.125   8.7111   27.389   5.8954   27.389   5.8954   27.389   5.8954  106.125   12.319  106.125   12.319 0.000000 0.000000 
1 1 1    0    0    8 o  1121.49   64.397  3208.06  470.091  3208.06  470.091  3208.06  470.091  1121.49   91.072  1121.49   91.072 0.000000 0.000000 
1 1 1    0    0   10 o  452.940   25.038  490.934   73.902  490.934   73.902  490.934   73.902  452.940   35.410  452.940   35.410 0.000000 0.000000 
1 1 1    0    0   12 o  765.467   41.537  1406.98  207.298  1406.98  207.298  1406.98  207.298  765.467   58.742  765.467   58.742 0.000000 0.000000 
1 1 1    0    0   14 o   49.854   9.2279   6.8785   2.6272   6.8785   2.6272   6.8785   2.6272   49.854   13.050   49.854   13.050 0.000000 0.000000 
1 1 1    0    0   16 o  244.527   21.638  146.747   33.487  146.747   33.487  146.747   33.487  244.527   30.600  244.527   30.600 0.000000 0.000000 
1 1 1    0    0   20 o  212.329   13.068  107.964   18.019  107.964   18.019  107.964   18.019  212.329   18.481  212.329   18.481 0.000000 0.000000 
1 1 1    0    0   22 o  403.529   22.627  390.813   59.474  390.813   59.474  390.813   59.474  403.529   31.999  403.529   31.999 0.000000 0.000000 
1 1 1    0    0   24 o  783.880   42.842  1495.26  218.913  1495.26  218.913  1495.26  218.913  783.880   60.588  783.880   60.588 0.000000 0.000000 
1 1 1    0    0   26 o  144.696   10.498   50.503   9.7979   50.503   9.7979   50.503   9.7979  144.696   14.847  144.696   14.847 0.000000 0.000000 
1 1 1    0    0   28 o   50.643   12.050   7.7308   3.6039   7.7308   3.6039   7.7308   3.6039   50.643   17.041   50.643   17.041 0.000000 0.000000 
1 1 1    0    0   30 o  423.158   23.744  427.865   65.445  427.865   65.445  427.865   65.445  423.158   33.579  423.158   33.579 0.000000 0.000000 
1 1 1    0    0   32 o  182.442   12.256   79.947   14.473   79.947   14.473   79.947   14.473  182.442   17.333  182.442   17.333 0.000000 0.000000 
1 1 1    0    0   34 o  222.474   21.764  122.571   30.255  122.571   30.255  122.571   30.255  222.474   30.779  222.474   30.779 0.000000 0.000000 
1 1 1    0    0   36 o  1014.62   86.487  2687.11  557.638  2687.11  557.638  2687.11  557.638  1014.62  122.311  1014.62  122.311 0.000000 0.000000 
1 1 1    0    0   38 o  410.505   23.402  403.908   62.545  403.908   62.545  403.908   62.545  410.505   33.096  410.505   33.096 0.000000 0.000000 
1 1 1    0    0   42 o  101.602   23.108   30.798   13.696   30.798   13.696   30.798   13.696  101.602   32.680  101.602   32.680 0.000000 0.000000 
1 1 1    0    0   44 o  260.978   24.043  169.251   39.526  169.251   39.526  169.251   39.526  260.978   34.002  260.978   34.002 0.000000 0.000000 
1 1 1    0    0   46 o   51.324   20.333   8.4315   10.371   8.4315   10.371   8.4315   10.371   51.324   28.755   51.324   28.755 0.000000 0.000000 
1 1 1    0    0   48 o  223.273   21.927  125.067   30.574  125.067   30.574  125.067   30.574  223.273   31.009  223.273   31.009 0.000000 0.000000 
1 1 1    0    0   54 o  111.256   22.450   35.905   14.307   35.905   14.307   35.905   14.307  111.256   31.750  111.256   31.750 0.000000 0.000000 
1 1 1    0    0   58 o  240.708   23.444  148.148   35.283  148.148   35.283  148.148   35.283  240.708   33.155  240.708   33.155 0.000000 0.000000 
1 1 1    0    0   62 o  104.517   24.894   34.331   15.370   34.331   15.370   34.331   15.370  104.517   35.206  104.517   35.206 0.000000 0.000000 
1 1 1    0    0   64 o   23.231   12.027 -29.1789   11.727 -29.1789   11.727 -29.1789   11.727   23.231   17.008   23.231   17.008 0.000000 0.000000 
1 1 1    0    0   68 o   43.860   19.482   3.7487   11.800   3.7487   11.800   3.7487   11.800   43.860   27.552   43.860   27.552 0.000000 0.000000 
1 1 1    0    0   70 o   65.997   23.431   17.227   12.555   17.227   12.555   17.227   12.555   65.997   33.136   65.997   33.136 0.000000 0.000000 
1 1 1    0    0   72 o   32.625   15.718  -4.1397   10.433  -4.1397   10.433  -4.1397   10.433   32.625   22.229   32.625   22.229 0.000000 0.000000 
1 1 1    0    1    2 o  111.401   8.7946   30.236   6.2687   30.236   6.2687   30.236   6.2687  111.401   12.437  111.401   12.437 -0.000000 0.000000 
1 1 1    0    1    3 o   47.136   8.2975   6.0762   2.2368   6.0762   2.2368   6.0762   2.2368   47.136   11.734   47.136   11.734 -0.000000 0.000000 
1 1 1    0    1    4 o  226.005   13.526  122.572   19.872  122.572   19.872  122.572   19.872  226.005   19.129  226.005   19.129 -0.000000 0.000000 
1 1 1    0    1    5 o   19.347   6.7952   1.2876   1.0509   1.2876   1.0509   1.2876   1.0509   19.347   9.6099   19.347   9.6099 -0.000000 0.000000 
1 1 1    0    1    6 o   16.355   6.7329   0.7472   1.2013   0.7472   1.2013   0.7472   1.2013   16.355   9.5217   16.355   9.5217 -0.000000 0.000000 
1 1 1    0    1    7 o   73.996   8.1225   13.710   3.6873   13.710   3.6873   13.710   3.6873   73.996   11.487   73.996   11.487 -0.000000 0.000000 
1 1 1    0    1    8 o   80.698   8.1918   16.163   4.1079   16.163   4.1079   16.163   4.1079   80.698   11.585   80.698   11.585 -0.000000 0.000000 
1 1 1    0    1    9 o  185.766   11.751   82.846   14.163   82.846   14.163   82.846   14.163  185.766   16.619  185.766   16.619 -0.000000 0.000000 
1 1 1    0    1   10 o  337.861   15.451  271.202   34.173  271.202   34.173  271.202   34.173  337.861   21.852  337.861   21.852 -0.000000 0.000000 
1 1 1    0    1   11 o  562.187   24.393  752.738   89.855  752.738   89.855  752.738   89.855  562.187   34.497  562.187   34.497 -0.000000 0.000000 
1 1 1    0    1   12 o  504.146   22.275  604.241   73.556  604.241   73.556  604.241   73.556  504.146   31.501  504.146   31.501 -0.000000 0.000000 
1 1 1    0    1   13 o  593.454   26.178  839.362  101.764  839.362  101.764  839.362  101.764  593.454   37.022  593.454   37.022 -0.000000 0.000000 
1 1 1    0    1   14 o  289.758   13.411  199.203   25.431  199.203   25.431  199.203   25.431  289.758   18.966  289.758   18.966 -0.000000 0.000000 
1 1 1    0    1   15 o  426.914   18.605  433.134   52.040  433.134   52.040  433.134   52.040  426.914   26.312  426.914   26.312 -0.000000 0.000000 
1 1 1    0    1   16 o  376.463   17.054  337.125   42.033  337.125   42.033  337.125   42.033  376.463   24.118  376.463   24.118 -0.000000 0.000000 
1 1 1    0    1   17 o  331.154   28.207  271.846   59.363  271.846   59.363  271.846   59.363  331.154   39.890  331.154   39.890 -0.000000 0.000000 
1 1 1    0    1   19 o   51.707   13.623   8.4241   4.3330   8.4241   4.3330   8.4241   4.3330   51.707   19.265   51.707   19.265 -0.000000 0.000000 
1 1 1    0    1   20 o   89.938   6.9313   19.589   3.9960   19.589   3.9960   19.589   3.9960   89.938   9.8024   89.938   9.8024 -0.000000 0.000000 
1 1 1    0    1   21 o  190.943   9.7584   86.739   12.167   86.739   12.167   86.739   12.167  190.943   13.800  190.943   13.800 -0.000000 0.000000 
1 1 1    0    1   22 f  548.162   24.408  724.535   87.624  724.535   87.624  724.535   87.624  548.162   34.517  548.162   34.517 -0.000000 0.000000 
1 1 1    0    1   23 o  493.273   22.046  584.057   71.217  584.057   71.217  584.057   71.217  493.273   31.178  493.273   31.178 -0.000000 0.000000 
1 1 1    0    1   24 o   81.550   7.3361   16.299   3.7796   16.299   3.7796   16.299   3.7796   81.550   10.375   81.550   10.375 -0.000000 0.000000 
1 1 1    0    1   25 o  420.233   18.906  421.374   52.023  421.374   52.023  421.374   52.023  420.233   26.737  420.233   26.737 -0.000000 0.000000 
1 1 1    0    1   26 o  255.517   12.184  155.061   20.361  155.061   20.361  155.061   20.361  255.517   17.230  255.517   17.230 -0.000000 0.000000 
1 1 1    0    1   27 o  164.362   8.9156   64.308   9.5541   64.308   9.5541   64.308   9.5541  164.362   12.608  164.362   12.608 -0.000000 0.000000 
1 1 1    0    1   28 o  212.275   10.668  107.044   14.793  107.044   14.793  107.044   14.793  212.275   15.087  212.275   15.087 -0.000000 0.000000 
1 1 1    0    1   29 f  311.201   17.943  231.754   36.341  231.754   36.341  231.754   36.341  311.201   25.375  311.201   25.375 -0.000000 0.000000 
1 1 1    0    1   30 o  640.068   27.866  978.316  116.861  978.316  116.861  978.316  116.861  640.068   39.408  640.068   39.408 -0.000000 0.000000 
1 1 1    0    1   31 o  657.661   34.611  1044.20  148.526  1044.20  148.526  1044.20  148.526  657.661   48.947  657.661   48.947 -0.000000 0.000000 
1 1 1    0    1   32 o   77.500   10.689   15.553   4.8784   15.553   4.8784   15.553   4.8784   77.500   15.117   77.500   15.117 -0.000000 0.000000 
1 1 1    0    1   33 o  136.545   9.5987   44.903   8.4661   44.903   8.4661   44.903   8.4661  136.545   13.575  136.545   13.575 -0.000000 0.000000 
1 1 1    0    1   34 f  261.781   23.902  169.510   39.458  169.510   39.458  169.510   39.458  261.781   33.803  261.781   33.803 -0.000000 0.000000 
1 1 1    0    1   36 o  221.467   21.303  121.823   29.551  121.823   29.551  121.823   29.551  221.467   30.126  221.467   30.126 -0.000000 0.000000 
1 1 1    0    1   37 o  265.355   12.914  167.491   22.403  167.491   22.403  167.491   22.403  265.355   18.263  265.355   18.263 -0.000000 0.000000 
1 1 1    0    1   38 o  243.705   15.896  143.107   25.104  143.107   25.104  143.107   25.104  243.705   22.481  243.705   22.481 -0.000000 0.000000 
1 1 1    0    1   39 o  236.190   12.097  132.914   18.657  132.914   18.657  132.914   18.657  236.190   17.108  236.190   17.108 -0.000000 0.000000 
1 1 1    0    1   40 o  551.351   23.790  729.181   85.953  729.181   85.953  729.181   85.953  551.351   33.644  551.351   33.644 -0.000000 0.000000 
1 1 1    0    1   41 o  166.871   10.389   66.816   11.254   66.816   11.254   66.816   11.254  166.871   14.693  166.871   14.693 -0.000000 0.000000 
1 1 1    0    1   42 o  248.025   12.161  146.786   19.716  146.786   19.716  146.786   19.716  248.025   17.199  248.025   17.199 -0.000000 0.000000 
1 1 1    0    1   43 o  260.437   12.174  161.700   20.745  161.700   20.745  161.700   20.745  260.437   17.216  260.437   17.216 -0.000000 0.000000 
1 1 1    0    1   44 o   64.964   15.121   12.697   5.7635   12.697   5.7635   12.697   5.7635   64.964   21.385   64.964   21.385 -0.000000 0.000000 
1 1 1    0    1   45 o   27.749   12.133   1.3214   4.3963   1.3214   4.3963   1.3214   4.3963   27.749   17.159   27.749   17.159 -0.000000 0.000000 
1 1 1    0    1   46 o  128.377   9.7115   40.051   8.0022   40.051   8.0022   40.051   8.0022  128.377   13.734  128.377   13.734 -0.000000 0.000000 
1 1 1    0    1   47 o   85.706   14.657   20.111   7.1971   20.111   7.1971   20.111   7.1971   85.706   20.728   85.706   20.728 -0.000000 0.000000 
1 1 1    0    1   48 o   39.228   14.833   5.2519   5.2556   5.2519   5.2556   5.2519   5.2556   39.228   20.976   39.228   20.976 -0.000000 0.000000 
1 1 1    0    1   49 o  241.792   23.643  150.351   35.722  150.351   35.722  150.351   35.722  241.792   33.436  241.792   33.436 -0.000000 0.000000 
1 1 1    0    1   50 o  108.806   21.866   34.553   13.624   34.553   13.624   34.553   13.624  108.806   30.924  108.806   30.924 -0.000000 0.000000 
1 1 1    0    1   53 o   63.563   22.116   14.659   11.089   14.659   11.089   14.659   11.089   63.563   31.277   63.563   31.277 -0.000000 0.000000 
1 1 1    0    1   54 o   57.366   21.464   11.946   10.906   11.946   10.906   11.946   10.906   57.366   30.355   57.366   30.355 -0.000000 0.000000 
1 1 1    0    1   55 o  204.965   14.277  103.915   18.910  103.915   18.910  103.915   18.910  204.965   20.191  204.965   20.191 -0.000000 0.000000 
1 1 1    0    1   56 o   73.791   19.215   17.609   8.6723   17.609   8.6723   17.609   8.6723   73.791   27.174   73.791   27.174 -0.000000 0.000000 
1 1 1    0    1   57 o   61.203   19.561   13.256   8.5113   13.256   8.5113   13.256   8.5113   61.203   27.664   61.203   27.664 -0.000000 0.000000 
1 1 1    0    1   58 o  173.105   13.906   74.705   15.380   74.705   15.380   74.705   15.380  173.105   19.666  173.105   19.666 -0.000000 0.000000 
1 1 1    0    1   59 o   58.953   19.736   12.624   8.7229   12.624   8.7229   12.624   8.7229   58.953   27.911   58.953   27.911 -0.000000 0.000000 
1 1 1    0    1   60 o   33.939   15.474   0.4974   8.0432   0.4974   8.0432   0.4974   8.0432   33.939   21.883   33.939   21.883 -0.000000 0.000000 
1 1 1    0    1   61 f  217.408   15.212  118.746   21.368  118.746   21.368  118.746   21.368  217.408   21.513  217.408   21.513 -0.000000 0.000000 
1 1 1    0    1   62 o   32.555   15.157  -0.8614   8.3123  -0.8614   8.3123  -0.8614   8.3123   32.555   21.435   32.555   21.435 -0.000000 0.000000 
1 1 1    0    1   63 o   45.855   18.445   7.3287   8.7096   7.3287   8.7096   7.3287   8.7096   45.855   26.085   45.855   26.085 -0.000000 0.000000 
1 1 1    0    1   64 o  128.527   15.403   43.786   11.956   43.786   11.956   43.786   11.956  128.527   21.784  128.527   21.784 -0.000000 0.000000 
1 1 1    0    1   65 o   38.872   18.053  -0.0000   11.682  -0.0000   11.682  -0.0000   11.682   38.872   25.530   38.872   25.530 -0.000000 0.000000 
1 1 1    0    1   67 o   32.346   15.828  -7.1637   11.575  -7.1637   11.575  -7.1637   11.575   32.346   22.385   32.346   22.385 -0.000000 0.000000 
1 1 1    0    1   69 o   58.671   22.648   14.974   12.491   14.974   12.491   14.974   12.491   58.671   32.029   58.671   32.029 -0.000000 0.000000 
1 1 1    0    1   70 o   29.314   13.618   0.0763   6.6547   0.0763   6.6547   0.0763   6.6547   29.314   19.259   29.314   19.259 -0.000000 0.000000 
1 1 1    0    1   71 f  112.053   19.021   39.056   12.218   39.056   12.218   39.056   12.218  112.053   26.900  112.053   26.900 -0.000000 0.000000 
1 1 1    0    1   72 o   30.867   14.763  -1.4274   8.8654  -1.4274   8.8654  -1.4274   8.8654   30.867   20.878   30.867   20.878 -0.000000 0.000000 
1 1 1    0    1   73 o   60.214   20.151   15.842   9.0922   15.842   9.0922   15.842   9.0922   60.214   28.497   60.214   28.497 -0.000000 0.000000 
1 1 1    0    2    0 o  106.836   8.6917   27.753   5.9264   27.753   5.9264   27.753   5.9264  106.836   12.292  106.836   12.292 -0.000000 0.000000 
1 1 1    0    2    1 o  588.300   31.856  853.161  122.193  853.161  122.193  853.161  122.193  588.300   45.051  588.300   45.051 -0.000000 0.000000 
1 1 1    0    2    2 o   18.320   7.2194   1.0630   1.2994   1.0630   1.2994   1.0630   1.2994   18.320   10.210   18.320   10.210 -0.000000 0.000000 
1 1 1    0    2    3 o  507.358   42.970  656.366  138.623  656.366  138.623  656.366  138.623  507.358   60.769  507.358   60.769 -0.000000 0.000000 
1 1 1    0    2    4 o   85.876   8.1882   18.177   4.4097   18.177   4.4097   18.177   4.4097   85.876   11.580   85.876   11.580 -0.000000 0.000000 
1 1 1    0    2    5 o   61.385   8.1561   9.6957   2.9674   9.6957   2.9674   9.6957   2.9674   61.385   11.535   61.385   11.535 -0.000000 0.000000 
1 1 1    0    2    6 o  408.219   22.925  403.222   60.954  403.222   60.954  403.222   60.954  408.219   32.420  408.219   32.420 -0.000000 0.000000 
1 1 1    0    2    7 o  371.731   20.780  333.750   50.320  333.750   50.320  333.750   50.320  371.731   29.387  371.731   29.387 -0.000000 0.000000 
1 1 1    0    2    8 o  129.237   9.5058   40.379   7.9184   40.379   7.9184   40.379   7.9184  129.237   13.443  129.237   13.443 -0.000000 0.000000 
1 1 1    0    2    9 o   95.577   8.5222   22.374   5.1509   22.374   5.1509   22.374   5.1509   95.577   12.052   95.577   12.052 -0.000000 0.000000 
1 1 1    0    2   10 o  423.948   23.182  430.774   64.064  430.774   64.064  430.774   64.064  423.948   32.785  423.948   32.785 -0.000000 0.000000 
1 1 1    0    2   11 o  520.341   28.631  650.412   97.093  650.412   97.093  650.412   97.093  520.341   40.490  520.341   40.490 -0.000000 0.000000 
1 1 1    0    2   12 o  138.091   9.9247   45.975   8.8437   45.975   8.8437   45.975   8.8437  138.091   14.036  138.091   14.036 -0.000000 0.000000 
1 1 1    0    2   13 o  128.073   9.5278   39.631   7.8608   39.631   7.8608   39.631   7.8608  128.073   13.474  128.073   13.474 -0.000000 0.000000 
1 1 1    0    2   14 o  303.262   17.439  220.114   34.422  220.114   34.422  220.114   34.422  303.262   24.663  303.262   24.663 -0.000000 0.000000 
1 1 1    0    2   15 o  254.599   22.424  159.629   36.153  159.629   36.153  159.629   36.153  254.599   31.712  254.599   31.712 -0.000000 0.000000 
1 1 1    0    2   16 f  659.968   56.163  1126.14  235.583  1126.14  235.583  1126.14  235.583  659.968   79.427  659.968   79.427 -0.000000 0.000000 
1 1 1    0    2   17 o  616.882   52.861  988.005  207.105  988.005  207.105  988.005  207.105  616.882   74.757  616.882   74.757 -0.000000 0.000000 
1 1 1    0    2   19 o   22.665   8.7050   1.6917   1.8368   1.6917   1.8368   1.6917   1.8368   22.665   12.311   22.665   12.311 -0.000000 0.000000 
1 1 1    0    2   20 o  554.781   24.459  738.845   88.886  738.845   88.886  738.845   88.886  554.781   34.590  554.781   34.590 -0.000000 0.000000 
1 1 1    0    2   21 o  442.411   19.853  467.867   57.515  467.867   57.515  467.867   57.515  442.411   28.077  442.411   28.077 -0.000000 0.000000 
1 1 1    0    2   22 o   26.277   9.0087   2.3786   1.8287   2.3786   1.8287   2.3786   1.8287   26.277   12.740   26.277   12.740 -0.000000 0.000000 
1 1 1    0    2   23 o   91.013   7.1762   20.095   4.1794   20.095   4.1794   20.095   4.1794   91.013   10.149   91.013   10.149 -0.000000 0.000000 
1 1 1    0    2   24 o  430.126   18.882  441.231   53.206  441.231   53.206  441.231   53.206  430.126   26.704  430.126   26.704 -0.000000 0.000000 
1 1 1    0    2   25 o  927.838   41.334  2119.39  251.170  2119.39  251.170  2119.39  251.170  927.838   58.455  927.838   58.455 -0.000000 0.000000 
1 1 1    0    2   26 o   67.605   8.1415   11.576   3.3210   11.576   3.3210   11.576   3.3210   67.605   11.514   67.605   11.514 -0.000000 0.000000 
1 1 1    0    2   27 o  149.727   8.5699   53.463   8.3529   53.463   8.3529   53.463   8.3529  149.727   12.120  149.727   12.120 -0.000000 0.000000 
1 1 1    0    2   28 o   32.453   10.843   3.6108   2.6317   3.6108   2.6317   3.6108   2.6317   32.453   15.335   32.453   15.335 -0.000000 0.000000 
1 1 1    0    2   29 o  163.431   9.0629   63.627   9.6510   63.627   9.6510   63.627   9.6510  163.431   12.817  163.431   12.817 -0.000000 0.000000 
1 1 1    0    2   30 o  641.544   28.099  983.186  118.098  983.186  118.098  983.186  118.098  641.544   39.738  641.544   39.738 -0.000000 0.000000 
1 1 1    0    2   31 o  267.516   12.695  169.856   22.214  169.856   22.214  169.856   22.214  267.516   17.954  267.516   17.954 -0.000000 0.000000 
1 1 1    0    2   32 o  176.195   9.6368   73.932   11.068   73.932   11.068   73.932   11.068  176.195   13.628  176.195   13.628 -0.000000 0.000000 
1 1 1    0    2   33 o  160.907   10.005   61.981   10.451   61.981   10.451   61.981   10.451  160.907   14.150  160.907   14.150 -0.000000 0.000000 
1 1 1    0    2   34 o  164.985   19.732   69.208   19.669   69.208   19.669   69.208   19.669  164.985   27.905  164.985   27.905 -0.000000 0.000000 
1 1 1    0    2   36 o  125.563   13.991   39.618   10.749   39.618   10.749   39.618   10.749  125.563   19.787  125.563   19.787 -0.000000 0.000000 
1 1 1    0    2   37 f  514.165   27.968  639.648   93.751  639.648   93.751  639.648   93.751  514.165   39.553  514.165   39.553 -0.000000 0.000000 
1 1 1    0    2   38 o   32.150   13.968   1.9183   5.7396   1.9183   5.7396   1.9183   5.7396   32.150   19.753   32.150   19.753 -0.000000 0.000000 
1 1 1    0    2   39 o  707.606   30.939  1214.17  143.427  1214.17  143.427  1214.17  143.427  707.606   43.754  707.606   43.754 -0.000000 0.000000 
1 1 1    0    2   40 o  197.710   10.609   93.190   13.680   93.190   13.680   93.190   13.680  197.710   15.004  197.710   15.004 -0.000000 0.000000 
1 1 1    0    2   41 o   87.235   11.994   19.749   6.1648   19.749   6.1648   19.749   6.1648   87.235   16.962   87.235   16.962 -0.000000 0.000000 
1 1 1    0    2   42 o  107.038   10.662   28.451   7.1126   28.451   7.1126   28.451   7.1126  107.038   15.079  107.038   15.079 -0.000000 0.000000 
1 1 1    0    2   43 o  113.469   13.257   32.665   9.1259   32.665   9.1259   32.665   9.1259  113.469   18.748  113.469   18.748 -0.000000 0.000000 
1 1 1    0    2   44 o  110.745   10.067   30.189   7.0343   30.189   7.0343   30.189   7.0343  110.745   14.237  110.745   14.237 -0.000000 0.000000 
1 1 1    0    2   45 o  155.238   12.189   58.828   12.112   58.828   12.112   58.828   12.112  155.238   17.237  155.238   17.237 -0.000000 0.000000 
1 1 1    0    2   46 o  155.029   12.494   58.889   12.372   58.889   12.372   58.889   12.372  155.029   17.669  155.029   17.669 -0.000000 0.000000 
1 1 1    0    2   47 o   81.150   23.216   22.024   12.174   22.024   12.174   22.024   12.174   81.150   32.832   81.150   32.832 -0.000000 0.000000 
1 1 1    0    2   48 o  159.721   20.183   66.649   19.280   66.649   19.280   66.649   19.280  159.721   28.543  159.721   28.543 -0.000000 0.000000 
1 1 1    0    2   49 o   72.803   18.124   16.560   7.9153   16.560   7.9153   16.560   7.9153   72.803   25.631   72.803   25.631 -0.000000 0.000000 
1 1 1    0    2   50 o  180.242   20.784   84.486   22.783   84.486   22.783   84.486   22.783  180.242   29.393  180.242   29.393 -0.000000 0.000000 
1 1 1    0    2   52 o   94.426   14.609   24.010   7.9840   24.010   7.9840   24.010   7.9840   94.426   20.661   94.426   20.661 -0.000000 0.000000 
1 1 1    0    2   53 o   93.824   14.259   23.585   7.7615   23.585   7.7615   23.585   7.7615   93.824   20.166   93.824   20.166 -0.000000 0.000000 
1 1 1    0    2   54 o  220.082   15.549  120.206   22.100  120.206   22.100  120.206   22.100  220.082   21.990  220.082   21.990 -0.000000 0.000000 
1 1 1    0    2   55 o   34.411   16.231  -2.5893   10.060  -2.5893   10.060  -2.5893   10.060   34.411   22.955   34.411   22.955 -0.000000 0.000000 
1 1 1    0    2   56 o  188.334   21.933   94.320   25.075   94.320   25.075   94.320   25.075  188.334   31.018  188.334   31.018 -0.000000 0.000000 
1 1 1    0    2   57 o   50.814   18.330   9.3018   7.7551   9.3018   7.7551   9.3018   7.7551   50.814   25.923   50.814   25.923 -0.000000 0.000000 
1 1 1    0    2   58 o  122.464   15.170   39.201   11.152   39.201   11.152   39.201   11.152  122.464   21.454  122.464   21.454 -0.000000 0.000000 
1 1 1    0    2   59 o   59.659   19.769   12.880   8.7285   12.880   8.7285   12.880   8.7285   59.659   27.957   59.659   27.957 -0.000000 0.000000 
1 1 1    0    2   60 o   63.115   23.412   15.116   12.892   15.116   12.892   15.116   12.892   63.115   33.110   63.115   33.110 -0.000000 0.000000 
1 1 1    0    2   61 o   90.440   25.287   28.707   14.548   28.707   14.548   28.707   14.548   90.440   35.761   90.440   35.761 -0.000000 0.000000 
1 1 1    0    2   62 o   76.442   20.170   19.445   9.4918   19.445   9.4918   19.445   9.4918   76.442   28.525   76.442   28.525 -0.000000 0.000000 
1 1 1    0    2   63 o   58.291   19.890   12.713   8.9021   12.713   8.9021   12.713   8.9021   58.291   28.129   58.291   28.129 -0.000000 0.000000 
1 1 1    0    2   64 o  159.679   14.388   65.406   14.512   65.406   14.512   65.406   14.512  159.679   20.348  159.679   20.348 -0.000000 0.000000 
1 1 1    0    2   65 o   49.930   21.146   8.3429   12.462   8.3429   12.462   8.3429   12.462   49.930   29.905   49.930   29.905 -0.000000 0.000000 
1 1 1    0    2   67 o   38.023   17.715   0.0170   11.386   0.0170   11.386   0.0170   11.386   38.023   25.053   38.023   25.053 -0.000000 0.000000 
1 1 1    0    2   68 o   74.766   20.118   19.790   9.3522   19.790   9.3522   19.790   9.3522   74.766   28.451   74.766   28.451 -0.000000 0.000000 
1 1 1    0    2   69 o   45.159   18.784   7.5649   9.5152   7.5649   9.5152   7.5649   9.5152   45.159   26.565   45.159   26.565 -0.000000 0.000000 
1 1 1    0    2   70 o   28.341   13.873  -5.0853   8.9083  -5.0853   8.9083  -5.0853   8.9083   28.341   19.619   28.341   19.619 -0.000000 0.000000 
1 1 1    0    2   71 o   46.252   18.845   9.1643   9.2626   9.1643   9.2626   9.1643   9.2626   46.252   26.651   46.252   26.651 -0.000000 0.000000 
1 1 1    0    2   72 o   66.194   23.916   21.671   13.214   21.671   13.214   21.671   13.214   66.194   33.822   66.194   33.822 -0.000000 0.000000 
1 1 1    0    2   73 o   33.659   16.777  -8.3078   14.805  -8.3078   14.805  -8.3078   14.805   33.659   23.726   33.659   23.726 -0.000000 0.000000 
1 1 1    0    3    1 o   90.094   8.2864   19.939   4.7036   19.939   4.7036   19.939   4.7036   90.094   11.719   90.094   11.719 -0.000000 0.000000 
1 1 1    0    3    2 o   10.308   4.4748   0.1955   0.5880   0.1955   0.5880   0.1955   0.5880   10.308   6.3284   10.308   6.3284 -0.000000 0.000000 
1 1 1    0    3    3 o   25.779   7.7998   2.2115   1.3572   2.2115   1.3572   2.2115   1.3572   25.779   11.031   25.779   11.031 -0.000000 0.000000 
1 1 1    0    3    4 f   38.914   11.412   4.9868   2.9210   4.9868   2.9210   4.9868   2.9210   38.914   16.139   38.914   16.139 -0.000000 0.000000 
1 1 1    0    3    5 o  111.023   8.6786   29.917   6.1695   29.917   6.1695   29.917   6.1695  111.023   12.273  111.023   12.273 -0.000000 0.000000 
1 1 1    0    3    6 o  191.485   12.097   88.122   15.029   88.122   15.029   88.122   15.029  191.485   17.108  191.485   17.108 -0.000000 0.000000 
1 1 1    0    3    7 o  214.957   13.163  110.876   18.379  110.876   18.379  110.876   18.379  214.957   18.616  214.957   18.616 -0.000000 0.000000 
1 1 1    0    3    8 o  229.122   20.625  129.445   29.853  129.445   29.853  129.445   29.853  229.122   29.169  229.122   29.169 -0.000000 0.000000 
1 1 1    0    3    9 o  492.454   25.325  580.921   81.425  580.921   81.425  580.921   81.425  492.454   35.815  492.454   35.815 -0.000000 0.000000 
1 1 1    0    3   10 o  246.585   14.508  145.381   23.268  145.381   23.268  145.381   23.268  246.585   20.518  246.585   20.518 -0.000000 0.000000 
1 1 1    0    3   11 o  855.209   28.255  1735.96  158.912  1735.96  158.912  1735.96  158.912  855.209   39.958  855.209   39.958 -0.000000 0.000000 
1 1 1    0    3   12 o   50.786   12.887   7.9836   3.9560   7.9836   3.9560   7.9836   3.9560   50.786   18.225   50.786   18.225 -0.000000 0.000000 
1 1 1    0    3   13 o   25.099   8.6688   2.1671   1.6985   2.1671   1.6985   2.1671   1.6985   25.099   12.260   25.099   12.260 -0.000000 0.000000 
1 1 1    0    3   14 o  430.971   23.283  445.454   65.430  445.454   65.430  445.454   65.430  430.971   32.927  430.971   32.927 -0.000000 0.000000 
1 1 1    0    3   15 o  973.499   55.062  2387.45  349.062  2387.45  349.062  2387.45  349.062  973.499   77.869  973.499   77.869 -0.000000 0.000000 
1 1 1    0    3   16 o  646.482   55.361  1086.01  227.321  1086.01  227.321  1086.01  227.321  646.482   78.292  646.482   78.292 -0.000000 0.000000 
1 1 1    0    3   17 o  524.668   44.489  703.361  148.405  703.361  148.405  703.361  148.405  524.668   62.917  524.668   62.917 -0.000000 0.000000 
1 1 1    0    3   19 o  134.623   15.231   45.707   12.512   45.707   12.512   45.707   12.512  134.623   21.540  134.623   21.540 -0.000000 0.000000 
1 1 1    0    3   20 o  234.091   14.041  131.447   21.364  131.447   21.364  131.447   21.364  234.091   19.856  234.091   19.856 -0.000000 0.000000 
1 1 1    0    3   21 o  146.779   15.959   54.141   14.394   54.141   14.394   54.141   14.394  146.779   22.570  146.779   22.570 -0.000000 0.000000 
1 1 1    0    3   22 o  256.221   14.959  157.653   24.936  157.653   24.936  157.653   24.936  256.221   21.156  256.221   21.156 -0.000000 0.000000 
1 1 1    0    3   23 o  281.112   16.311  189.655   29.836  189.655   29.836  189.655   29.836  281.112   23.067  281.112   23.067 -0.000000 0.000000 
1 1 1    0    3   24 o  357.489   16.323  304.412   38.198  304.412   38.198  304.412   38.198  357.489   23.084  357.489   23.084 -0.000000 0.000000 
1 1 1    0    3   25 o  593.042   26.068  843.363  101.270  843.363  101.270  843.363  101.270  593.042   36.865  593.042   36.865 -0.000000 0.000000 
1 1 1    0    3   26 o  218.031   10.748  112.898   15.315  112.898   15.315  112.898   15.315  218.031   15.200  218.031   15.200 -0.000000 0.000000 
1 1 1    0    3   27 f  110.231   7.7048   29.240   5.4875   29.240   5.4875   29.240   5.4875  110.231   10.896  110.231   10.896 -0.000000 0.000000 
1 1 1    0    3   28 o  485.306   21.496  560.215   68.328  560.215   68.328  560.215   68.328  485.306   30.399  485.306   30.399 -0.000000 0.000000 
1 1 1    0    3   29 o  304.670   17.611  222.122   34.918  222.122   34.918  222.122   34.918  304.670   24.906  304.670   24.906 -0.000000 0.000000 
1 1 1    0    3   30 o   46.903   12.413   6.9304   3.5893   6.9304   3.5893   6.9304   3.5893   46.903   17.554   46.903   17.554 -0.000000 0.000000 
1 1 1    0    3   31 o  478.236   21.049  543.980   65.942  543.980   65.942  543.980   65.942  478.236   29.768  478.236   29.768 -0.000000 0.000000 
1 1 1    0    3   32 o  131.554   8.7706   41.552   7.4701   41.552   7.4701   41.552   7.4701  131.554   12.403  131.554   12.403 -0.000000 0.000000 
1 1 1    0    3   33 o  1192.39  114.183  4121.13  853.366  4121.13  853.366  4121.13  853.366  1192.39  161.480  1192.39  161.480 -0.000000 0.000000 
1 1 1    0    3   34 o  133.149   20.480   47.115   15.794   47.115   15.794   47.115   15.794  133.149   28.964  133.149   28.964 -0.000000 0.000000 
1 1 1    0    3   36 o  277.603   16.219  184.778   29.290  184.778   29.290  184.778   29.290  277.603   22.937  277.603   22.937 -0.000000 0.000000 
1 1 1    0    3   37 o  293.406   17.464  206.796   33.315  206.796   33.315  206.796   33.315  293.406   24.698  293.406   24.698 -0.000000 0.000000 
1 1 1    0    3   38 o  390.438   17.224  363.001   44.051  363.001   44.051  363.001   44.051  390.438   24.359  390.438   24.359 -0.000000 0.000000 
1 1 1    0    3   39 o   38.862   15.083   4.9373   5.5752   4.9373   5.5752   4.9373   5.5752   38.862   21.331   38.862   21.331 -0.000000 0.000000 
1 1 1    0    3   40 o   35.104   14.342   3.5791   5.3875   3.5791   5.3875   3.5791   5.3875   35.104   20.283   35.104   20.283 -0.000000 0.000000 
1 1 1    0    3   41 o  410.525   18.600  404.227   49.992  404.227   49.992  404.227   49.992  410.525   26.304  410.525   26.304 -0.000000 0.000000 
1 1 1    0    3   42 o   71.258   14.589   14.580   5.9617   14.580   5.9617   14.580   5.9617   71.258   20.631   71.258   20.631 -0.000000 0.000000 
1 1 1    0    3   43 o  181.476   19.208   83.196   21.517   83.196   21.517   83.196   21.517  181.476   27.164  181.476   27.164 -0.000000 0.000000 
1 1 1    0    3   44 o   99.728   13.944   25.980   8.1703   25.980   8.1703   25.980   8.1703   99.728   19.720   99.728   19.720 -0.000000 0.000000 
1 1 1    0    3   45 o  170.560   20.385   74.967   21.009   74.967   21.009   74.967   21.009  170.560   28.828  170.560   28.828 -0.000000 0.000000 
1 1 1    0    3   46 o   75.678   17.979   17.493   8.0313   17.493   8.0313   17.493   8.0313   75.678   25.426   75.678   25.426 -0.000000 0.000000 
1 1 1    0    3   47 o   58.285   18.323   11.679   7.4682   11.679   7.4682   11.679   7.4682   58.285   25.912   58.285   25.912 -0.000000 0.000000 
1 1 1    0    3   48 o   29.387   13.009   1.1951   5.2124   1.1951   5.2124   1.1951   5.2124   29.387   18.397   29.387   18.397 -0.000000 0.000000 
1 1 1    0    3   49 o  123.956   12.284   38.403   9.4972   38.403   9.4972   38.403   9.4972  123.956   17.372  123.956   17.372 -0.000000 0.000000 
1 1 1    0    3   52 o  274.605   17.394  186.576   30.986  186.576   30.986  186.576   30.986  274.605   24.598  274.605   24.598 -0.000000 0.000000 
1 1 1    0    3   53 o  269.408   17.008  179.420   29.730  179.420   29.730  179.420   29.730  269.408   24.053  269.408   24.053 -0.000000 0.000000 
1 1 1    0    3   54 o  247.524   13.027  148.962   21.040  148.962   21.040  148.962   21.040  247.524   18.423  247.524   18.423 -0.000000 0.000000 
1 1 1    0    3   55 o   51.726   17.577   9.5721   6.9450   9.5721   6.9450   9.5721   6.9450   51.726   24.858   51.726   24.858 -0.000000 0.000000 
1 1 1    0    3   56 o   36.240   15.401   3.3819   6.6564   3.3819   6.6564   3.3819   6.6564   36.240   21.780   36.240   21.780 -0.000000 0.000000 
1 1 1    0    3   57 o   87.667   16.937   22.090   8.4844   22.090   8.4844   22.090   8.4844   87.667   23.953   87.667   23.953 -0.000000 0.000000 
1 1 1    0    3   58 o   34.906   14.787   3.2289   6.0959   3.2289   6.0959   3.2289   6.0959   34.906   20.911   34.906   20.911 -0.000000 0.000000 
1 1 1    0    3   59 o   41.059   15.822   5.8552   6.0862   5.8552   6.0862   5.8552   6.0862   41.059   22.375   41.059   22.375 -0.000000 0.000000 
1 1 1    0    3   60 o   27.189   13.271  -5.6603   8.0075  -5.6603   8.0075  -5.6603   8.0075   27.189   18.768   27.189   18.768 -0.000000 0.000000 
1 1 1    0    3   61 o   48.937   18.915   8.6690   8.7265   8.6690   8.7265   8.6690   8.7265   48.937   26.750   48.937   26.750 -0.000000 0.000000 
1 1 1    0    3   62 o   39.917   18.473   0.0002   12.075   0.0002   12.075   0.0002   12.075   39.917   26.125   39.917   26.125 -0.000000 0.000000 
1 1 1    0    3   63 o  113.524   16.853   35.461   11.136   35.461   11.136   35.461   11.136  113.524   23.834  113.524   23.834 -0.000000 0.000000 
1 1 1    0    3   64 o   47.425   20.519   6.4703   12.272   6.4703   12.272   6.4703   12.272   47.425   29.019   47.425   29.019 -0.000000 0.000000 
1 1 1    0    3   65 o   83.576   25.606   26.767   14.599   26.767   14.599   26.767   14.599   83.576   36.212   83.576   36.212 -0.000000 0.000000 
1 1 1    0    3   66 o   50.567   21.255   9.1752   12.408   9.1752   12.408   9.1752   12.408   50.567   30.058   50.567   30.058 -0.000000 0.000000 
1 1 1    0    3   67 o  101.456   27.730   38.797   17.656   38.797   17.656   38.797   17.656  101.456   39.217  101.456   39.217 -0.000000 0.000000 
1 1 1    0    3   68 o   38.194   17.099   3.2852   9.2914   3.2852   9.2914   3.2852   9.2914   38.194   24.182   38.194   24.182 -0.000000 0.000000 
1 1 1    0    3   69 f   41.517   18.189   5.0594   9.9289   5.0594   9.9289   5.0594   9.9289   41.517   25.723   41.517   25.723 -0.000000 0.000000 
1 1 1    0    3   70 o   88.109   21.505   27.558   11.280   27.558   11.280   27.558   11.280   88.109   30.413   88.109   30.413 -0.000000 0.000000 
1 1 1    0    3   71 o  104.120   19.523   34.852   11.608   34.852   11.608   34.852   11.608  104.120   27.609  104.120   27.609 -0.000000 0.000000 
1 1 1    0    3   72 o   69.045   21.184   19.759   9.9910   19.759   9.9910   19.759   9.9910   69.045   29.958   69.045   29.958 -0.000000 0.000000 
1 1 1    0    3   73 o   21.000   10.799 -15.5494   8.5141 -15.5494   8.5141 -15.5494   8.5141   21.000   15.272   21.000   15.272 -0.000000 0.000000 
1 1 1    0    4    0 o  167.382   16.649   69.536   17.371   69.536   17.371   69.536   17.371  167.382   23.545  167.382   23.545 -0.000000 0.000000 
1 1 1    0    4    1 o  378.413   21.434  346.352   52.816  346.352   52.816  346.352   52.816  378.413   30.312  378.413   30.312 -0.000000 0.000000 
1 1 1    0    4    3 o  331.138   18.436  263.793   39.773  263.793   39.773  263.793   39.773  331.138   26.072  331.138   26.072 -0.000000 0.000000 
1 1 1    0    4    4 o  374.604   21.122  338.346   51.530  338.346   51.530  338.346   51.530  374.604   29.871  374.604   29.871 -0.000000 0.000000 
1 1 1    0    4    5 o  244.108   21.717  147.203   33.532  147.203   33.532  147.203   33.532  244.108   30.712  244.108   30.712 -0.000000 0.000000 
1 1 1    0    4    6 o  804.550   44.901  1599.55  235.344  1599.55  235.344  1599.55  235.344  804.550   63.500  804.550   63.500 -0.000000 0.000000 
1 1 1    0    4    7 o  1018.30   55.275  2579.29  366.974  2579.29  366.974  2579.29  366.974  1018.30   78.171  1018.30   78.171 -0.000000 0.000000 
1 1 1    0    4    8 o  485.446   26.795  565.846   84.766  565.846   84.766  565.846   84.766  485.446   37.894  485.446   37.894 -0.000000 0.000000 
1 1 1    0    4    9 o  105.429   8.7520   27.052   5.8785   27.052   5.8785   27.052   5.8785  105.429   12.377  105.429   12.377 -0.000000 0.000000 
1 1 1    0    4   10 o  1101.09   58.347  2991.22  419.136  2991.22  419.136  2991.22  419.136  1101.09   82.515  1101.09   82.515 -0.000000 0.000000 
1 1 1    0    4   11 o  349.373   17.868  290.849   40.763  290.849   40.763  290.849   40.763  349.373   25.269  349.373   25.269 -0.000000 0.000000 
1 1 1    0    4   12 o   49.251   9.2404   6.7418   2.5988   6.7418   2.5988   6.7418   2.5988   49.251   13.068   49.251   13.068 -0.000000 0.000000 
1 1 1    0    4   13 o  948.752   84.120  2432.55  505.008  2432.55  505.008  2432.55  505.008  948.752  118.963  948.752  118.963 -0.000000 0.000000 
1 1 1    0    4   14 o  290.572   16.763  202.276   31.701  202.276   31.701  202.276   31.701  290.572   23.707  290.572   23.707 -0.000000 0.000000 
1 1 1    0    4   15 o  528.903   44.458  709.323  149.622  709.323  149.622  709.323  149.622  528.903   62.874  528.903   62.874 -0.000000 0.000000 
1 1 1    0    4   16 o   71.673   13.902   14.457   5.6942   14.457   5.6942   14.457   5.6942   71.673   19.660   71.673   19.660 -0.000000 0.000000 
1 1 1    0    4   19 o  397.818   33.561  395.596   84.925  395.596   84.925  395.596   84.925  397.818   47.463  397.818   47.463 -0.000000 0.000000 
1 1 1    0    4   20 o  540.675   27.991  709.115   98.792  709.115   98.792  709.115   98.792  540.675   39.585  540.675   39.585 -0.000000 0.000000 
1 1 1    0    4   21 o  234.851   21.276  136.968   31.540  136.968   31.540  136.968   31.540  234.851   30.089  234.851   30.089 -0.000000 0.000000 
1 1 1    0    4   22 o  165.231   16.866   68.132   17.303   68.132   17.303   68.132   17.303  165.231   23.851  165.231   23.851 -0.000000 0.000000 
1 1 1    0    4   23 o  1517.23  103.547  6962.67  1016.15  6962.67  1016.15  6962.67  1016.15  1517.23  146.438  1517.23  146.438 -0.000000 0.000000 
1 1 1    0    4   24 o  645.637   34.997  1020.14  147.324  1020.14  147.324  1020.14  147.324  645.637   49.494  645.637   49.494 -0.000000 0.000000 
1 1 1    0    4   25 o  734.948   40.424  1321.34  193.626  1321.34  193.626  1321.34  193.626  734.948   57.168  734.948   57.168 -0.000000 0.000000 
1 1 1    0    4   26 o  104.184   9.6136   26.663   6.3079   26.663   6.3079   26.663   6.3079  104.184   13.596  104.184   13.596 -0.000000 0.000000 
1 1 1    0    4   27 o  1015.11   43.628  2496.43  290.234  2496.43  290.234  2496.43  290.234  1015.11   61.700  1015.11   61.700 -0.000000 0.000000 
1 1 1    0    4   28 o  102.140   7.7978   25.239   5.1088   25.239   5.1088   25.239   5.1088  102.140   11.028  102.140   11.028 -0.000000 0.000000 
1 1 1    0    4   29 f  859.841   35.518  1775.01  200.271  1775.01  200.271  1775.01  200.271  859.841   50.230  859.841   50.230 -0.000000 0.000000 
1 1 1    0    4   30 o  1157.90   50.541  3280.53  383.413  3280.53  383.413  3280.53  383.413  1157.90   71.476  1157.90   71.476 -0.000000 0.000000 
1 1 1    0    4   31 o  631.047   26.113  949.110  108.060  949.110  108.060  949.110  108.060  631.047   36.930  631.047   36.930 -0.000000 0.000000 
1 1 1    0    4   32 o  126.438   9.1326   38.557   7.4494   38.557   7.4494   38.557   7.4494  126.438   12.915  126.438   12.915 -0.000000 0.000000 
1 1 1    0    4   33 o   78.000   15.830   17.359   7.0758   17.359   7.0758   17.359   7.0758   78.000   22.387   78.000   22.387 -0.000000 0.000000 
1 1 1    0    4   34 o  429.829   36.127  460.484   98.809  460.484   98.809  460.484   98.809  429.829   51.092  429.829   51.092 -0.000000 0.000000 
1 1 1    0    4   35 o  321.421   27.983  255.888   57.029  255.888   57.029  255.888   57.029  321.421   39.574  321.421   39.574 -0.000000 0.000000 
1 1 1    0    4   36 o  370.606   20.759  330.061   50.114  330.061   50.114  330.061   50.114  370.606   29.358  370.606   29.358 -0.000000 0.000000 
1 1 1    0    4   37 o  396.261   22.301  378.045   57.555  378.045   57.555  378.045   57.555  396.261   31.538  396.261   31.538 -0.000000 0.000000 
1 1 1    0    4   38 o  355.895   16.705  302.060   38.896  302.060   38.896  302.060   38.896  355.895   23.624  355.895   23.624 -0.000000 0.000000 
1 1 1    0    4   39 o  391.955   17.967  366.648   46.097  366.648   46.097  366.648   46.097  391.955   25.410  391.955   25.410 -0.000000 0.000000 
1 1 1    0    4   40 o  480.904   21.625  554.922   68.095  554.922   68.095  554.922   68.095  480.904   30.582  480.904   30.582 -0.000000 0.000000 
1 1 1    0    4   41 o  273.190   16.077  179.978   28.565  179.978   28.565  179.978   28.565  273.190   22.736  273.190   22.736 -0.000000 0.000000 
1 1 1    0    4   42 o  371.483   21.115  335.488   51.072  335.488   51.072  335.488   51.072  371.483   29.861  371.483   29.861 -0.000000 0.000000 
1 1 1    0    4   43 o   40.503   17.778   2.7393   9.5299   2.7393   9.5299   2.7393   9.5299   40.503   25.142   40.503   25.142 -0.000000 0.000000 
1 1 1    0    4   44 o   55.712   18.304   10.756   7.4739   10.756   7.4739   10.756   7.4739   55.712   25.886   55.712   25.886 -0.000000 0.000000 
1 1 1    0    4   45 o  272.509   16.566  180.299   29.330  180.299   29.330  180.299   29.330  272.509   23.428  272.509   23.428 -0.000000 0.000000 
1 1 1    0    4   46 o  437.224   19.156  464.010   54.869  464.010   54.869  464.010   54.869  437.224   27.090  437.224   27.090 -0.000000 0.000000 
1 1 1    0    4   47 o  299.148   14.086  215.095   27.566  215.095   27.566  215.095   27.566  299.148   19.920  299.148   19.920 -0.000000 0.000000 
1 1 1    0    4   48 o   95.317   11.242   23.118   6.4898   23.118   6.4898   23.118   6.4898   95.317   15.898   95.317   15.898 -0.000000 0.000000 
1 1 1    0    4   49 o  203.100   14.096  100.865   18.503  100.865   18.503  100.865   18.503  203.100   19.934  203.100   19.934 -0.000000 0.000000 
1 1 1    0    4   50 o   63.528   21.987   14.555   10.936   14.555   10.936   14.555   10.936   63.528   31.094   63.528   31.094 -0.000000 0.000000 
1 1 1    0    4   51 o   87.866   21.384   24.285   11.173   24.285   11.173   24.285   11.173   87.866   30.241   87.866   30.241 -0.000000 0.000000 
1 1 1    0    4   52 o  246.699   15.439  149.363   24.720  149.363   24.720  149.363   24.720  246.699   21.834  246.699   21.834 -0.000000 0.000000 
1 1 1    0    4   53 o  163.004   12.444   65.391   13.011   65.391   13.011   65.391   13.011  163.004   17.598  163.004   17.598 -0.000000 0.000000 
1 1 1    0    4   54 o   29.816   13.014   1.7083   5.0344   1.7083   5.0344   1.7083   5.0344   29.816   18.404   29.816   18.404 -0.000000 0.000000 
1 1 1    0    4   55 o  125.046   10.151   38.484   8.1028   38.484   8.1028   38.484   8.1028  125.046   14.356  125.046   14.356 -0.000000 0.000000 
1 1 1    0    4   56 o  138.830   10.230   47.155   9.1535   47.155   9.1535   47.155   9.1535  138.830   14.468  138.830   14.468 -0.000000 0.000000 
1 1 1    0    4   57 o   81.777   17.419   19.864   8.2084   19.864   8.2084   19.864   8.2084   81.777   24.634   81.777   24.634 -0.000000 0.000000 
1 1 1    0    4   58 o  138.469   13.354   48.533   11.578   48.533   11.578   48.533   11.578  138.469   18.886  138.469   18.886 -0.000000 0.000000 
1 1 1    0    4   59 o   42.859   17.006   6.2065   7.2711   6.2065   7.2711   6.2065   7.2711   42.859   24.051   42.859   24.051 -0.000000 0.000000 
1 1 1    0    4   60 o   51.401   18.191   9.6766   7.5543   9.6766   7.5543   9.6766   7.5543   51.401   25.726   51.401   25.726 -0.000000 0.000000 
1 1 1    0    4   61 o   53.159   17.135   10.088   6.5371   10.088   6.5371   10.088   6.5371   53.159   24.233   53.159   24.233 -0.000000 0.000000 
1 1 1    0    4   62 o   97.123   13.298   25.085   7.6156   25.085   7.6156   25.085   7.6156   97.123   18.807   97.123   18.807 -0.000000 0.000000 
1 1 1    0    4   63 o   37.308   15.354   4.4115   6.2444   4.4115   6.2444   4.4115   6.2444   37.308   21.714   37.308   21.714 -0.000000 0.000000 
1 1 1    0    4   64 o   94.717   16.519   25.583   8.9530   25.583   8.9530   25.583   8.9530   94.717   23.361   94.717   23.361 -0.000000 0.000000 
1 1 1    0    4   65 o   32.048   15.800  -9.1738   12.115  -9.1738   12.115  -9.1738   12.115   32.048   22.345   32.048   22.345 -0.000000 0.000000 
1 1 1    0    4   67 o   60.564   24.323   15.652   15.115   15.652   15.115   15.652   15.115   60.564   34.398   60.564   34.398 -0.000000 0.000000 
1 1 1    0    4   68 o   50.260   19.854   10.389   9.8538   10.389   9.8538   10.389   9.8538   50.260   28.078   50.260   28.078 -0.000000 0.000000 
1 1 1    0    4   69 o   40.867   17.723   5.1535   9.2030   5.1535   9.2030   5.1535   9.2030   40.867   25.064   40.867   25.064 -0.000000 0.000000 
1 1 1    0    4   70 o   35.418   16.418   1.4011   9.5961   1.4011   9.5961   1.4011   9.5961   35.418   23.218   35.418   23.218 -0.000000 0.000000 
1 1 1    0    4   71 o   44.293   18.641   8.1722   9.5658   8.1722   9.5658   8.1722   9.5658   44.293   26.362   44.293   26.362 -0.000000 0.000000 
1 1 1    0    4   72 o   22.813   11.609 -12.3290   8.6125 -12.3290   8.6125 -12.3290   8.6125   22.813   16.417   22.813   16.417 -0.000000 0.000000 
1 1 1    0    4   73 o   29.555   14.210  -1.5661   8.4402  -1.5661   8.4402  -1.5661   8.4402   29.555   20.096   29.555   20.096 -0.000000 0.000000 
1 1 1    0    5    1 o   76.237   8.2882   14.527   3.8827   14.527   3.8827   14.527   3.8827   76.237   11.721   76.237   11.721 -0.000000 0.000000 
1 1 1    0    5    2 o   74.484   8.2790   13.903   3.7748   13.903   3.7748   13.903   3.7748   74.484   11.708   74.484   11.708 -0.000000 0.000000 
1 1 1    0    5    3 o  444.041   23.909  473.148   69.232  473.148   69.232  473.148   69.232  444.041   33.812  444.041   33.812 -0.000000 0.000000 
1 1 1    0    5    4 o  145.291   9.7566   50.719   9.1750   50.719   9.1750   50.719   9.1750  145.291   13.798  145.291   13.798 -0.000000 0.000000 
1 1 1    0    5    6 o  387.716   20.163  358.725   51.025  358.725   51.025  358.725   51.025  387.716   28.514  387.716   28.514 -0.000000 0.000000 
1 1 1    0    5    7 o  349.549   19.655  292.159   44.747  292.159   44.747  292.159   44.747  349.549   27.796  349.549   27.796 -0.000000 0.000000 
1 1 1    0    5    8 o  250.877   14.813  150.495   24.167  150.495   24.167  150.495   24.167  250.877   20.948  250.877   20.948 -0.000000 0.000000 
1 1 1    0    5    9 f  165.128   10.809   65.431   11.564   65.431   11.564   65.431   11.564  165.128   15.286  165.128   15.286 -0.000000 0.000000 
1 1 1    0    5   10 o  406.447   22.644  395.917   59.962  395.917   59.962  395.917   59.962  406.447   32.024  406.447   32.024 -0.000000 0.000000 
1 1 1    0    5   11 o  181.834   17.583   81.826   20.011   81.826   20.011   81.826   20.011  181.834   24.866  181.834   24.866 -0.000000 0.000000 
1 1 1    0    5   12 o   88.379   8.6061   19.286   4.7557   19.286   4.7557   19.286   4.7557   88.379   12.171   88.379   12.171 -0.000000 0.000000 
1 1 1    0    5   13 o  118.339   9.2869   33.972   7.0349   33.972   7.0349   33.972   7.0349  118.339   13.134  118.339   13.134 -0.000000 0.000000 
1 1 1    0    5   14 o   96.352   8.4233   22.705   5.1439   22.705   5.1439   22.705   5.1439   96.352   11.912   96.352   11.912 -0.000000 0.000000 
1 1 1    0    5   15 o  293.716   25.435  213.829   47.394  213.829   47.394  213.829   47.394  293.716   35.970  293.716   35.970 -0.000000 0.000000 
1 1 1    0    5   16 o  329.825   28.217  270.582   59.119  270.582   59.119  270.582   59.119  329.825   39.905  329.825   39.905 -0.000000 0.000000 
1 1 1    0    5   18 o  302.868   26.117  227.329   50.204  227.329   50.204  227.329   50.204  302.868   36.936  302.868   36.936 -0.000000 0.000000 
1 1 1    0    5   19 o  475.020   25.127  545.305   77.873  545.305   77.873  545.305   77.873  475.020   35.535  475.020   35.535 -0.000000 0.000000 
1 1 1    0    5   20 o   39.446   10.787   4.9764   2.6711   4.9764   2.6711   4.9764   2.6711   39.446   15.255   39.446   15.255 -0.000000 0.000000 
1 1 1    0    5   21 o   35.153   12.592   4.2561   3.6446   4.2561   3.6446   4.2561   3.6446   35.153   17.807   35.153   17.807 -0.000000 0.000000 
1 1 1    0    5   22 o   44.563   11.130   6.1118   2.9792   6.1118   2.9792   6.1118   2.9792   44.563   15.740   44.563   15.740 -0.000000 0.000000 
1 1 1    0    5   23 o   99.595   9.2756   24.404   5.8115   24.404   5.8115   24.404   5.8115   99.595   13.118   99.595   13.118 -0.000000 0.000000 
1 1 1    0    5   24 o  621.346   32.892  936.322  133.337  936.322  133.337  936.322  133.337  621.346   46.516  621.346   46.516 -0.000000 0.000000 
1 1 1    0    5   25 o  192.228   12.305   88.647   15.339   88.647   15.339   88.647   15.339  192.228   17.402  192.228   17.402 -0.000000 0.000000 
1 1 1    0    5   26 o   64.821   11.067   11.388   4.1106   11.388   4.1106   11.388   4.1106   64.821   15.652   64.821   15.652 -0.000000 0.000000 
1 1 1    0    5   27 o   95.983   9.8306   22.866   5.8557   22.866   5.8557   22.866   5.8557   95.983   13.903   95.983   13.903 -0.000000 0.000000 
1 1 1    0    5   28 o  184.781   12.071   81.965   14.453   81.965   14.453   81.965   14.453  184.781   17.072  184.781   17.072 -0.000000 0.000000 
1 1 1    0    5   29 o  131.120   16.282   43.827   12.810   43.827   12.810   43.827   12.810  131.120   23.027  131.120   23.027 -0.000000 0.000000 
1 1 1    0    5   30 o   47.450   16.304   7.7640   5.9951   7.7640   5.9951   7.7640   5.9951   47.450   23.057   47.450   23.057 -0.000000 0.000000 
1 1 1    0    5   31 o  166.783   11.643   67.003   12.548   67.003   12.548   67.003   12.548  166.783   16.466  166.783   16.466 -0.000000 0.000000 
1 1 1    0    5   32 o  585.934   32.334  829.702  123.464  829.702  123.464  829.702  123.464  585.934   45.727  585.934   45.727 -0.000000 0.000000 
1 1 1    0    5   33 o   72.733   16.358   15.649   6.9232   15.649   6.9232   15.649   6.9232   72.733   23.133   72.733   23.133 -0.000000 0.000000 
1 1 1    0    5   34 o  550.988   29.616  734.236  106.420  734.236  106.420  734.236  106.420  550.988   41.884  550.988   41.884 -0.000000 0.000000 
1 1 1    0    5   35 o  266.684   24.204  176.214   40.735  176.214   40.735  176.214   40.735  266.684   34.229  266.684   34.229 -0.000000 0.000000 
1 1 1    0    5   36 o  405.040   22.663  394.989   59.797  394.989   59.797  394.989   59.797  405.040   32.051  405.040   32.051 -0.000000 0.000000 
1 1 1    0    5   37 o  116.688   13.255   34.300   9.4316   34.300   9.4316   34.300   9.4316  116.688   18.745  116.688   18.745 -0.000000 0.000000 
1 1 1    0    5   38 o  354.110   30.501  312.885   68.558  312.885   68.558  312.885   68.558  354.110   43.135  354.110   43.135 -0.000000 0.000000 
1 1 1    0    5   39 o  556.786   30.949  756.731  112.274  756.731  112.274  756.731  112.274  556.786   43.769  556.786   43.769 -0.000000 0.000000 
1 1 1    0    5   40 o  313.129   18.175  236.543   37.032  236.543   37.032  236.543   37.032  313.129   25.704  313.129   25.704 -0.000000 0.000000 
1 1 1    0    5   41 o  164.512   19.747   69.427   19.613   69.427   19.613   69.427   19.613  164.512   27.926  164.512   27.926 -0.000000 0.000000 
1 1 1    0    5   42 o  180.604   13.031   79.185   15.184   79.185   15.184   79.185   15.184  180.604   18.429  180.604   18.429 -0.000000 0.000000 
1 1 1    0    5   43 o   41.780   16.508   5.6177   6.8145   5.6177   6.8145   5.6177   6.8145   41.780   23.346   41.780   23.346 -0.000000 0.000000 
1 1 1    0    5   44 o  230.717   11.973  127.396   18.031  127.396   18.031  127.396   18.031  230.717   16.932  230.717   16.932 -0.000000 0.000000 
1 1 1    0    5   45 o   92.793   11.054   21.897   6.2017   21.897   6.2017   21.897   6.2017   92.793   15.633   92.793   15.633 -0.000000 0.000000 
1 1 1    0    5   46 o  114.755   9.8984   32.338   7.2091   32.338   7.2091   32.338   7.2091  114.755   13.998  114.755   13.998 -0.000000 0.000000 
1 1 1    0    5   47 o  119.864   10.238   35.279   7.7967   35.279   7.7967   35.279   7.7967  119.864   14.479  119.864   14.479 -0.000000 0.000000 
1 1 1    0    5   48 o  123.248   12.342   38.000   9.4722   38.000   9.4722   38.000   9.4722  123.248   17.455  123.248   17.455 -0.000000 0.000000 
1 1 1    0    5   49 o   21.225   10.455  -4.8467   5.2723  -4.8467   5.2723  -4.8467   5.2723   21.225   14.785   21.225   14.785 -0.000000 0.000000 
1 1 1    0    5   50 o   29.545   14.342  -5.8741   9.0549  -5.8741   9.0549  -5.8741   9.0549   29.545   20.283   29.545   20.283 -0.000000 0.000000 
1 1 1    0    5   51 o   60.772   21.657   13.436   10.750   13.436   10.750   13.436   10.750   60.772   30.628   60.772   30.628 -0.000000 0.000000 
1 1 1    0    5   52 o   30.279   13.356   1.4333   5.4457   1.4333   5.4457   1.4333   5.4457   30.279   18.888   30.279   18.888 -0.000000 0.000000 
1 1 1    0    5   53 o  128.113   12.980   41.421   10.336   41.421   10.336   41.421   10.336  128.113   18.357  128.113   18.357 -0.000000 0.000000 
1 1 1    0    5   54 o  151.929   10.263   56.231   10.090   56.231   10.090   56.231   10.090  151.929   14.515  151.929   14.515 -0.000000 0.000000 
1 1 1    0    5   55 o   84.558   13.480   19.383   6.5731   19.383   6.5731   19.383   6.5731   84.558   19.064   84.558   19.064 -0.000000 0.000000 
1 1 1    0    5   56 o   21.969   10.743  -4.1198   5.3061  -4.1198   5.3061  -4.1198   5.3061   21.969   15.192   21.969   15.192 -0.000000 0.000000 
1 1 1    0    5   57 o  142.895   10.472   49.991   9.6472   49.991   9.6472   49.991   9.6472  142.895   14.810  142.895   14.810 -0.000000 0.000000 
1 1 1    0    5   58 o   28.613   13.050   0.2092   5.7276   0.2092   5.7276   0.2092   5.7276   28.613   18.455   28.613   18.455 -0.000000 0.000000 
1 1 1    0    5   59 o  104.966   14.925   29.446   9.1789   29.446   9.1789   29.446   9.1789  104.966   21.107  104.966   21.107 -0.000000 0.000000 
1 1 1    0    5   60 o  131.827   12.591   43.960   10.407   43.960   10.407   43.960   10.407  131.827   17.807  131.827   17.807 -0.000000 0.000000 
1 1 1    0    5   61 o   18.761   9.6395 -13.9309   6.7027 -13.9309   6.7027 -13.9309   6.7027   18.761   13.632   18.761   13.632 -0.000000 0.000000 
1 1 1    0    5   62 o   96.899   13.345   25.018   7.6172   25.018   7.6172   25.018   7.6172   96.899   18.873   96.899   18.873 -0.000000 0.000000 
1 1 1    0    5   63 f   51.344   20.074   9.8114   9.9580   9.8114   9.9580   9.8114   9.9580   51.344   28.389   51.344   28.389 -0.000000 0.000000 
1 1 1    0    5   64 o   35.246   15.521   2.5547   7.3233   2.5547   7.3233   2.5547   7.3233   35.246   21.950   35.246   21.950 -0.000000 0.000000 
1 1 1    0    5   65 o   53.604   19.830   11.248   9.2307   11.248   9.2307   11.248   9.2307   53.604   28.044   53.604   28.044 -0.000000 0.000000 
1 1 1    0    5   66 o  115.064   27.624   46.335   18.822   46.335   18.822   46.335   18.822  115.064   39.066  115.064   39.066 -0.000000 0.000000 
1 1 1    0    5   67 o  146.701   15.843   58.032   14.298   58.032   14.298   58.032   14.298  146.701   22.406  146.701   22.406 -0.000000 0.000000 
1 1 1    0    5   68 o   52.111   18.548   10.872   7.8790   10.872   7.8790   10.872   7.8790   52.111   26.230   52.111   26.230 -0.000000 0.000000 
1 1 1    0    5   69 o   26.580   12.892  -3.6634   7.2825  -3.6634   7.2825  -3.6634   7.2825   26.580   18.232   26.580   18.232 -0.000000 0.000000 
1 1 1    0    5   70 o   79.267   21.103   23.352   10.343   23.352   10.343   23.352   10.343   79.267   29.844   79.267   29.844 -0.000000 0.000000 
1 1 1    0    5   71 o   30.096   14.940  -7.6419   11.373  -7.6419   11.373  -7.6419   11.373   30.096   21.128   30.096   21.128 -0.000000 0.000000 
1 1 1    0    5   72 o   96.720   26.537   40.068   16.144   40.068   16.144   40.068   16.144   96.720   37.529   96.720   37.529 -0.000000 0.000000 
1 1 1    0    5   73 o   56.805   20.441   15.419   9.6310   15.419   9.6310   15.419   9.6310   56.805   28.908   56.805   28.908 -0.000000 0.000000 
1 1 1    0    6    0 o  1425.86   78.750  5011.04  731.724  5011.04  731.724  5011.04  731.724  1425.86  111.369  1425.86  111.369 -0.000000 0.000000 
1 1 1    0    6    1 o  469.316   25.828  528.015   78.999  528.015   78.999  528.015   78.999  469.316   36.526  469.316   36.526 -0.000000 0.000000 
1 1 1    0    6    2 f  480.174   26.002  552.422   81.409  552.422   81.409  552.422   81.409  480.174   36.773  480.174   36.773 -0.000000 0.000000 
1 1 1    0    6    3 o  206.922   19.110  105.446   24.901  105.446   24.901  105.446   24.901  206.922   27.025  206.922   27.025 -0.000000 0.000000 
1 1 1    0    6    4 o  831.936   36.819  1661.32  200.633  1661.32  200.633  1661.32  200.633  831.936   52.070  831.936   52.070 -0.000000 0.000000 
1 1 1    0    6    5 o  970.684   53.767  2316.01  340.080  2316.01  340.080  2316.01  340.080  970.684   76.039  970.684   76.039 -0.000000 0.000000 
1 1 1    0    6    6 o  517.132   28.487  642.367   96.007  642.367   96.007  642.367   96.007  517.132   40.287  517.132   40.287 -0.000000 0.000000 
1 1 1    0    6    7 o  190.182   12.043   86.696   14.859   86.696   14.859   86.696   14.859  190.182   17.032  190.182   17.032 -0.000000 0.000000 
1 1 1    0    6    8 o  710.779   59.321  1285.68  268.481  1285.68  268.481  1285.68  268.481  710.779   83.893  710.779   83.893 -0.000000 0.000000 
1 1 1    0    6    9 o  136.948   9.8677   45.241   8.7191   45.241   8.7191   45.241   8.7191  136.948   13.955  136.948   13.955 -0.000000 0.000000 
1 1 1    0    6   10 o  855.057   74.406  1939.90  403.413  1939.90  403.413  1939.90  403.413  855.057  105.226  855.057  105.226 -0.000000 0.000000 
1 1 1    0    6   11 o  458.979   25.262  507.359   75.565  507.359   75.565  507.359   75.565  458.979   35.725  458.979   35.725 -0.000000 0.000000 
1 1 1    0    6   12 o  134.961   9.7726   43.977   8.5077   43.977   8.5077   43.977   8.5077  134.961   13.821  134.961   13.821 -0.000000 0.000000 
1 1 1    0    6   13 o  380.621   32.167  361.467   77.866  361.467   77.866  361.467   77.866  380.621   45.491  380.621   45.491 -0.000000 0.000000 
1 1 1    0    6   14 o   68.982   14.196   13.649   5.6187   13.649   5.6187   13.649   5.6187   68.982   20.076   68.982   20.076 -0.000000 0.000000 
1 1 1    0    6   19 o  304.670   26.430  231.427   51.076  231.427   51.076  231.427   51.076  304.670   37.378  304.670   37.378 -0.000000 0.000000 
1 1 1    0    6   20 o  686.578   60.915  1266.67  264.624  1266.67  264.624  1266.67  264.624  686.578   86.147  686.578   86.147 -0.000000 0.000000 
1 1 1    0    6   21 o   28.815   11.502   2.5662   3.3528   2.5662   3.3528   2.5662   3.3528   28.815   16.266   28.815   16.266 -0.000000 0.000000 
1 1 1    0    6   22 o  269.928   23.721  180.282   40.558  180.282   40.558  180.282   40.558  269.928   33.547  269.928   33.547 -0.000000 0.000000 
1 1 1    0    6   23 o  1025.46   58.292  2672.29  389.205  2672.29  389.205  2672.29  389.205  1025.46   82.437  1025.46   82.437 -0.000000 0.000000 
1 1 1    0    6   24 o   27.114   10.476   2.4031   2.6753   2.4031   2.6753   2.4031   2.6753   27.114   14.815   27.114   14.815 -0.000000 0.000000 
1 1 1    0    6   25 o  581.154   31.781  814.246  120.392  814.246  120.392  814.246  120.392  581.154   44.945  581.154   44.945 -0.000000 0.000000 
1 1 1    0    6   26 o  423.314   23.505  429.497   64.830  429.497   64.830  429.497   64.830  423.314   33.241  423.314   33.241 -0.000000 0.000000 
1 1 1    0    6   27 o  185.616   12.041   82.678   14.486   82.678   14.486   82.678   14.486  185.616   17.029  185.616   17.029 -0.000000 0.000000 
1 1 1    0    6   28 o  162.186   17.110   65.657   17.139   65.657   17.139   65.657   17.139  162.186   24.198  162.186   24.198 -0.000000 0.000000 
1 1 1    0    6   29 o   45.868   13.289   6.8859   3.9744   6.8859   3.9744   6.8859   3.9744   45.868   18.793   45.868   18.793 -0.000000 0.000000 
1 1 1    0    6   30 o  776.486   39.291  1461.11  199.270  1461.11  199.270  1461.11  199.270  776.486   55.566  776.486   55.566 -0.000000 0.000000 
1 1 1    0    6   32 o  570.446   31.552  788.065  117.285  788.065  117.285  788.065  117.285  570.446   44.621  570.446   44.621 -0.000000 0.000000 
1 1 1    0    6   33 o  207.542   20.555  107.193   26.611  107.193   26.611  107.193   26.611  207.542   29.069  207.542   29.069 -0.000000 0.000000 
1 1 1    0    6   34 o   92.652   21.584   25.805   11.736   25.805   11.736   25.805   11.736   92.652   30.525   92.652   30.525 -0.000000 0.000000 
1 1 1    0    6   35 o  136.594   18.021   48.154   14.609   48.154   14.609   48.154   14.609  136.594   25.486  136.594   25.486 -0.000000 0.000000 
1 1 1    0    6   36 o  236.384   22.203  138.709   32.979  138.709   32.979  138.709   32.979  236.384   31.400  236.384   31.400 -0.000000 0.000000 
1 1 1    0    6   37 o  134.729   19.798   47.868   15.549   47.868   15.549   47.868   15.549  134.729   27.999  134.729   27.999 -0.000000 0.000000 
1 1 1    0    6   38 o  363.965   31.216  330.677   72.151  330.677   72.151  330.677   72.151  363.965   44.146  363.965   44.146 -0.000000 0.000000 
1 1 1    0    6   39 o  339.955   29.505  288.979   63.618  288.979   63.618  288.979   63.618  339.955   41.726  339.955   41.726 -0.000000 0.000000 
1 1 1    0    6   40 f  463.889   26.282  527.678   79.391  527.678   79.391  527.678   79.391  463.889   37.169  463.889   37.169 -0.000000 0.000000 
1 1 1    0    6   41 o  114.147   19.602   35.756   12.816   35.756   12.816   35.756   12.816  114.147   27.722  114.147   27.722 -0.000000 0.000000 
1 1 1    0    6   42 o   48.839   15.331   8.1065   5.2286   8.1065   5.2286   8.1065   5.2286   48.839   21.681   48.839   21.681 -0.000000 0.000000 
1 1 1    0    6   43 o  399.270   22.931  390.224   59.593  390.224   59.593  390.224   59.593  399.270   32.429  399.270   32.429 -0.000000 0.000000 
1 1 1    0    6   44 o  326.598   15.391  256.187   32.884  256.187   32.884  256.187   32.884  326.598   21.766  326.598   21.766 -0.000000 0.000000 
1 1 1    0    6   45 o  584.974   27.099  852.631  103.740  852.631  103.740  852.631  103.740  584.974   38.324  584.974   38.324 -0.000000 0.000000 
1 1 1    0    6   46 o  246.243   15.509  147.615   24.780  147.615   24.780  147.615   24.780  246.243   21.933  246.243   21.933 -0.000000 0.000000 
1 1 1    0    6   47 o   87.587   11.474   19.828   5.9718   19.828   5.9718   19.828   5.9718   87.587   16.227   87.587   16.227 -0.000000 0.000000 
1 1 1    0    6   48 o   55.376   18.969   10.860   8.1048   10.860   8.1048   10.860   8.1048   55.376   26.826   55.376   26.826 -0.000000 0.000000 
1 1 1    0    6   49 o   48.855   18.317   8.3694   7.9551   8.3694   7.9551   8.3694   7.9551   48.855   25.905   48.855   25.905 -0.000000 0.000000 
1 1 1    0    6   50 o   53.134   17.088   9.8501   6.4995   9.8501   6.4995   9.8501   6.4995   53.134   24.166   53.134   24.166 -0.000000 0.000000 
1 1 1    0    6   51 o   97.488   21.754   28.913   12.320   28.913   12.320   28.913   12.320   97.488   30.765   97.488   30.765 -0.000000 0.000000 
1 1 1    0    6   52 o   75.241   15.757   16.580   6.8155   16.580   6.8155   16.580   6.8155   75.241   22.284   75.241   22.284 -0.000000 0.000000 
1 1 1    0    6   53 o  256.052   16.222  162.469   26.946  162.469   26.946  162.469   26.946  256.052   22.941  256.052   22.941 -0.000000 0.000000 
1 1 1    0    6   54 o  128.138   10.186   40.364   8.3459   40.364   8.3459   40.364   8.3459  128.138   14.405  128.138   14.405 -0.000000 0.000000 
1 1 1    0    6   55 o   55.552   16.239   10.397   5.9201   10.397   5.9201   10.397   5.9201   55.552   22.966   55.552   22.966 -0.000000 0.000000 
1 1 1    0    6   56 o   24.714   11.719  -1.9074   5.3663  -1.9074   5.3663  -1.9074   5.3663   24.714   16.574   24.714   16.574 -0.000000 0.000000 
1 1 1    0    6   57 o   20.639   10.201  -4.9454   5.1362  -4.9454   5.1362  -4.9454   5.1362   20.639   14.426   20.639   14.426 -0.000000 0.000000 
1 1 1    0    6   58 o   34.923   14.598   3.4626   5.7962   3.4626   5.7962   3.4626   5.7962   34.923   20.644   34.923   20.644 -0.000000 0.000000 
1 1 1    0    6   59 o   28.075   13.253  -1.8857   6.7292  -1.8857   6.7292  -1.8857   6.7292   28.075   18.743   28.075   18.743 -0.000000 0.000000 
1 1 1    0    6   60 f   42.384   16.928   6.1047   7.2681   6.1047   7.2681   6.1047   7.2681   42.384   23.940   42.384   23.940 -0.000000 0.000000 
1 1 1    0    6   61 o   49.744   18.946   9.0943   8.6333   9.0943   8.6333   9.0943   8.6333   49.744   26.793   49.744   26.793 -0.000000 0.000000 
1 1 1    0    6   62 o   36.767   15.904   3.3170   7.3686   3.3170   7.3686   3.3170   7.3686   36.767   22.492   36.767   22.492 -0.000000 0.000000 
1 1 1    0    6   63 o   79.323   20.374   20.913   9.8194   20.913   9.8194   20.913   9.8194   79.323   28.813   79.323   28.813 -0.000000 0.000000 
1 1 1    0    6   64 o   56.665   17.452   11.457   6.7802   11.457   6.7802   11.457   6.7802   56.665   24.681   56.665   24.681 -0.000000 0.000000 
1 1 1    0    6   65 o   52.437   19.765   10.774   9.3038   10.774   9.3038   10.774   9.3038   52.437   27.951   52.437   27.951 -0.000000 0.000000 
1 1 1    0    6   66 o   26.274   13.334 -16.1901   11.032 -16.1901   11.032 -16.1901   11.032   26.274   18.857   26.274   18.857 -0.000000 0.000000 
1 1 1    0    6   67 o   44.419   18.804   6.9534   9.8455   6.9534   9.8455   6.9534   9.8455   44.419   26.593   44.419   26.593 -0.000000 0.000000 
1 1 1    0    6   68 o   43.824   18.426   6.8793   9.3312   6.8793   9.3312   6.8793   9.3312   43.824   26.058   43.824   26.058 -0.000000 0.000000 
1 1 1    0    6   69 o   56.052   18.685   12.522   7.8102   12.522   7.8102   12.522   7.8102   56.052   26.425   56.052   26.425 -0.000000 0.000000 
1 1 1    0    6   70 o   39.632   17.609   4.9122   9.6484   4.9122   9.6484   4.9122   9.6484   39.632   24.903   39.632   24.903 -0.000000 0.000000 
1 1 1    0    6   71 o   39.304   16.484   6.0223   7.4342   6.0223   7.4342   6.0223   7.4342   39.304   23.312   39.304   23.312 -0.000000 0.000000 
1 1 1    0    6   72 o   35.749   15.455   4.4521   6.9503   4.4521   6.9503   4.4521   6.9503   35.749   21.857   35.749   21.857 -0.000000 0.000000 
1 1 1    0    6   73 o   28.402   13.383  -0.0111   6.8081  -0.0111   6.8081  -0.0111   6.8081   28.402   18.926   28.402   18.926 -0.000000 0.000000 
1 1 1    0    7    1 o  278.058   16.000  184.852   28.956  184.852   28.956  184.852   28.956  278.058   22.627  278.058   22.627 -0.000000 0.000000 
1 1 1    0    7    2 o   22.207   9.0394   1.4369   2.1277   1.4369   2.1277   1.4369   2.1277   22.207   12.784   22.207   12.784 -0.000000 0.000000 
1 1 1    0    7    3 o  213.821   12.834  109.373   17.836  109.373   17.836  109.373   17.836  213.821   18.150  213.821   18.150 -0.000000 0.000000 
1 1 1    0    7    4 f  269.358   15.761  173.611   27.617  173.611   27.617  173.611   27.617  269.358   22.290  269.358   22.290 -0.000000 0.000000 
1 1 1    0    7    5 o  162.854   10.838   63.715   11.428   63.715   11.428   63.715   11.428  162.854   15.328  162.854   15.328 -0.000000 0.000000 
1 1 1    0    7    6 o   34.598   11.520   4.1035   2.9679   4.1035   2.9679   4.1035   2.9679   34.598   16.292   34.598   16.292 -0.000000 0.000000 
1 1 1    0    7    7 o  482.787   40.050  581.239  123.194  581.239  123.194  581.239  123.194  482.787   56.639  482.787   56.639 -0.000000 0.000000 
1 1 1    0    7    8 o  622.541   34.452  942.584  139.760  942.584  139.760  942.584  139.760  622.541   48.723  622.541   48.723 -0.000000 0.000000 
1 1 1    0    7    9 f  137.550   15.249   47.542   12.846   47.542   12.846   47.542   12.846  137.550   21.565  137.550   21.565 -0.000000 0.000000 
1 1 1    0    7   10 o  257.429   15.227  158.930   25.491  158.930   25.491  158.930   25.491  257.429   21.535  257.429   21.535 -0.000000 0.000000 
1 1 1    0    7   11 o  236.430   14.223  134.128   21.855  134.128   21.855  134.128   21.855  236.430   20.114  236.430   20.114 -0.000000 0.000000 
1 1 1    0    7   12 o  143.952   15.605   52.011   13.810   52.011   13.810   52.011   13.810  143.952   22.069  143.952   22.069 -0.000000 0.000000 
1 1 1    0    7   13 o  203.839   19.117  103.026   24.491  103.026   24.491  103.026   24.491  203.839   27.036  203.839   27.036 -0.000000 0.000000 
1 1 1    0    7   16 o  320.715   27.492  255.354   55.996  255.354   55.996  255.354   55.996  320.715   38.880  320.715   38.880 -0.000000 0.000000 
1 1 1    0    7   17 o  105.461   9.0684   27.187   6.0717   27.187   6.0717   27.187   6.0717  105.461   12.825  105.461   12.825 -0.000000 0.000000 
1 1 1    0    7   18 o  307.435   17.631  227.484   35.284  227.484   35.284  227.484   35.284  307.435   24.934  307.435   24.934 -0.000000 0.000000 
1 1 1    0    7   19 o  187.983   12.065   84.925   14.706   84.925   14.706   84.925   14.706  187.983   17.062  187.983   17.062 -0.000000 0.000000 
1 1 1    0    7   20 o  114.108   9.3981   31.710   6.8368   31.710   6.8368   31.710   6.8368  114.108   13.291  114.108   13.291 -0.000000 0.000000 
1 1 1    0    7   21 o   25.871   9.9687   2.1974   2.4161   2.1974   2.4161   2.1974   2.4161   25.871   14.098   25.871   14.098 -0.000000 0.000000 
1 1 1    0    7   22 o  1011.41   51.868  2552.06  342.535  2552.06  342.535  2552.06  342.535  1011.41   73.352  1011.41   73.352 -0.000000 0.000000 
1 1 1    0    7   23 o  188.264   12.061   85.026   14.724   85.026   14.724   85.026   14.724  188.264   17.056  188.264   17.056 -0.000000 0.000000 
1 1 1    0    7   24 o  105.008   9.5784   27.056   6.3434   27.056   6.3434   27.056   6.3434  105.008   13.546  105.008   13.546 -0.000000 0.000000 
1 1 1    0    7   25 o   26.672   10.768   2.1293   2.9830   2.1293   2.9830   2.1293   2.9830   26.672   15.228   26.672   15.228 -0.000000 0.000000 
1 1 1    0    7   26 o   53.948   12.155   8.5979   3.8174   8.5979   3.8174   8.5979   3.8174   53.948   17.190   53.948   17.190 -0.000000 0.000000 
1 1 1    0    7   27 o  460.255   25.469  508.403   76.384  508.403   76.384  508.403   76.384  460.255   36.018  460.255   36.018 -0.000000 0.000000 
1 1 1    0    7   28 o  172.188   17.647   73.786   18.855   73.786   18.855   73.786   18.855  172.188   24.956  172.188   24.956 -0.000000 0.000000 
1 1 1    0    7   29 o   72.000   11.961   13.959   4.9454   13.959   4.9454   13.959   4.9454   72.000   16.916   72.000   16.916 -0.000000 0.000000 
1 1 1    0    7   30 o  363.060   19.939  315.309   47.181  315.309   47.181  315.309   47.181  363.060   28.197  363.060   28.197 -0.000000 0.000000 
1 1 1    0    7   31 o  164.421   11.198   65.049   11.909   65.049   11.909   65.049   11.909  164.421   15.836  164.421   15.836 -0.000000 0.000000 
1 1 1    0    7   32 o  695.964   34.566  1175.73  157.196  1175.73  157.196  1175.73  157.196  695.964   48.883  695.964   48.883 -0.000000 0.000000 
1 1 1    0    7   33 o  144.822   18.548   53.864   16.026   53.864   16.026   53.864   16.026  144.822   26.231  144.822   26.231 -0.000000 0.000000 
1 1 1    0    7   38 o  294.900   26.175  216.358   48.838  216.358   48.838  216.358   48.838  294.900   37.017  294.900   37.017 -0.000000 0.000000 
1 1 1    0    7   39 o   45.840   16.418   7.2847   6.1956   7.2847   6.1956   7.2847   6.1956   45.840   23.218   45.840   23.218 -0.000000 0.000000 
1 1 1    0    7   40 o   24.231   11.625  -2.9416   5.5858  -2.9416   5.5858  -2.9416   5.5858   24.231   16.440   24.231   16.440 -0.000000 0.000000 
1 1 1    0    7   41 o  188.856   10.472   85.314   12.886   85.314   12.886   85.314   12.886  188.856   14.809  188.856   14.809 -0.000000 0.000000 
1 1 1    0    7   42 o  169.525   9.9018   68.857   10.920   68.857   10.920   68.857   10.920  169.525   14.003  169.525   14.003 -0.000000 0.000000 
1 1 1    0    7   43 o  105.535   12.902   28.459   8.1926   28.459   8.1926   28.459   8.1926  105.535   18.246  105.535   18.246 -0.000000 0.000000 
1 1 1    0    7   44 o  152.945   9.7853   56.342   9.7054   56.342   9.7054   56.342   9.7054  152.945   13.839  152.945   13.839 -0.000000 0.000000 
1 1 1    0    7   45 o   57.307   14.864   10.358   5.2000   10.358   5.2000   10.358   5.2000   57.307   21.020   57.307   21.020 -0.000000 0.000000 
1 1 1    0    7   46 o   24.143   11.227  -0.7809   4.5395  -0.7809   4.5395  -0.7809   4.5395   24.143   15.877   24.143   15.877 -0.000000 0.000000 
1 1 1    0    7   47 o  123.590   12.545   38.277   9.6345   38.277   9.6345   38.277   9.6345  123.590   17.741  123.590   17.741 -0.000000 0.000000 
1 1 1    0    7   48 o   50.717   16.559   8.9567   6.1127   8.9567   6.1127   8.9567   6.1127   50.717   23.418   50.717   23.418 -0.000000 0.000000 
1 1 1    0    7   49 o  139.448   9.3949   47.098   8.4783   47.098   8.4783   47.098   8.4783  139.448   13.286  139.448   13.286 -0.000000 0.000000 
1 1 1    0    7   50 o  103.929   14.126   28.363   8.6671   28.363   8.6671   28.363   8.6671  103.929   19.977  103.929   19.977 -0.000000 0.000000 
1 1 1    0    7   51 o  175.123   20.169   80.012   21.485   80.012   21.485   80.012   21.485  175.123   28.523  175.123   28.523 -0.000000 0.000000 
1 1 1    0    7   52 o   46.806   16.376   7.7928   6.0932   7.7928   6.0932   7.7928   6.0932   46.806   23.159   46.806   23.159 -0.000000 0.000000 
1 1 1    0    7   53 o  146.849   9.9917   52.508   9.4914   52.508   9.4914   52.508   9.4914  146.849   14.130  146.849   14.130 -0.000000 0.000000 
1 1 1    0    7   54 o  321.517   15.561  253.407   32.711  253.407   32.711  253.407   32.711  321.517   22.006  321.517   22.006 -0.000000 0.000000 
1 1 1    0    7   55 f  118.526   10.211   34.732   7.6823   34.732   7.6823   34.732   7.6823  118.526   14.441  118.526   14.441 -0.000000 0.000000 
1 1 1    0    7   56 o   83.102   16.333   19.925   7.7600   19.925   7.7600   19.925   7.7600   83.102   23.098   83.102   23.098 -0.000000 0.000000 
1 1 1    0    7   57 o  149.430   12.715   55.822   12.076   55.822   12.076   55.822   12.076  149.430   17.982  149.430   17.982 -0.000000 0.000000 
1 1 1    0    7   58 o   54.636   17.997   10.671   7.2275   10.671   7.2275   10.671   7.2275   54.636   25.452   54.636   25.452 -0.000000 0.000000 
1 1 1    0    7   59 o   74.236   17.314   17.080   7.5457   17.080   7.5457   17.080   7.5457   74.236   24.486   74.236   24.486 -0.000000 0.000000 
1 1 1    0    7   60 o   16.860   8.7370 -16.1239   6.2961 -16.1239   6.2961 -16.1239   6.2961   16.860   12.356   16.860   12.356 -0.000000 0.000000 
1 1 1    0    7   61 o   33.347   14.718   2.0397   6.6230   2.0397   6.6230   2.0397   6.6230   33.347   20.815   33.347   20.815 -0.000000 0.000000 
1 1 1    0    7   62 o  120.440   15.756   38.908   11.279   38.908   11.279   38.908   11.279  120.440   22.282  120.440   22.282 -0.000000 0.000000 
1 1 1    0    7   63 o   54.716   19.660   11.400   8.9010   11.400   8.9010   11.400   8.9010   54.716   27.803   54.716   27.803 -0.000000 0.000000 
1 1 1    0    7   64 o   55.971   19.742   12.105   8.8852   12.105   8.8852   12.105   8.8852   55.971   27.920   55.971   27.920 -0.000000 0.000000 
1 1 1    0    7   65 o   49.747   21.034   8.6335   12.288   8.6335   12.288   8.6335   12.288   49.747   29.746   49.747   29.746 -0.000000 0.000000 
1 1 1    0    7   66 o  110.655   26.336   42.750   17.212   42.750   17.212   42.750   17.212  110.655   37.245  110.655   37.245 -0.000000 0.000000 
1 1 1    0    7   67 o   28.236   13.703  -4.0630   8.2527  -4.0630   8.2527  -4.0630   8.2527   28.236   19.379   28.236   19.379 -0.000000 0.000000 
1 1 1    0    7   68 o   39.365   16.460   5.2999   7.3732   5.2999   7.3732   5.2999   7.3732   39.365   23.277   39.365   23.277 -0.000000 0.000000 
1 1 1    0    7   69 o   48.236   17.976   9.6936   7.6268   9.6936   7.6268   9.6936   7.6268   48.236   25.422   48.236   25.422 -0.000000 0.000000 
1 1 1    0    7   70 o   95.456   15.877   27.214   8.7020   27.214   8.7020   27.214   8.7020   95.456   22.453   95.456   22.453 -0.000000 0.000000 
1 1 1    0    7   71 o   27.109   13.073  -2.4012   7.2556  -2.4012   7.2556  -2.4012   7.2556   27.109   18.489   27.109   18.489 -0.000000 0.000000 
1 1 1    0    7   72 o   81.415   17.676   22.373   8.3164   22.373   8.3164   22.373   8.3164   81.415   24.997   81.415   24.997 -0.000000 0.000000 
1 1 1    0    8    0 o  717.519   58.747  1287.44  268.868  1287.44  268.868  1287.44  268.868  717.519   83.081  717.519   83.081 -0.000000 0.000000 
1 1 1    0    8    1 o  638.294   26.803  974.933  112.160  974.933  112.160  974.933  112.160  638.294   37.905  638.294   37.905 -0.000000 0.000000 
1 1 1    0    8    2 o  244.599   13.207  142.697   21.065  142.697   21.065  142.697   21.065  244.599   18.678  244.599   18.678 -0.000000 0.000000 
1 1 1    0    8    3 o  397.659   21.527  379.295   55.816  379.295   55.816  379.295   55.816  397.659   30.444  397.659   30.444 -0.000000 0.000000 
1 1 1    0    8    4 o  710.111   36.293  1228.61  168.290  1228.61  168.290  1228.61  168.290  710.111   51.326  710.111   51.326 -0.000000 0.000000 
1 1 1    0    8    5 o  316.469   27.035  247.604   54.358  247.604   54.358  247.604   54.358  316.469   38.234  316.469   38.234 -0.000000 0.000000 
1 1 1    0    8    6 o  986.857   95.126  2834.04  587.826  2834.04  587.826  2834.04  587.826  986.857  134.528  986.857  134.528 -0.000000 0.000000 
1 1 1    0    8    7 o  203.127   19.012  102.177   24.277  102.177   24.277  102.177   24.277  203.127   26.887  203.127   26.887 -0.000000 0.000000 
1 1 1    0    8    9 o  253.833   22.517  159.529   36.165  159.529   36.165  159.529   36.165  253.833   31.844  253.833   31.844 -0.000000 0.000000 
1 1 1    0    8   10 o  338.631   28.901  285.452   62.184  285.452   62.184  285.452   62.184  338.631   40.872  338.631   40.872 -0.000000 0.000000 
1 1 1    0    8   14 o   67.843   14.242   13.288   5.5562   13.288   5.5562   13.288   5.5562   67.843   20.141   67.843   20.141 -0.000000 0.000000 
1 1 1    0    8   15 f  171.932   17.220   73.694   18.436   73.694   18.436   73.694   18.436  171.932   24.353  171.932   24.353 -0.000000 0.000000 
1 1 1    0    8   16 o  605.307   31.537  899.203  124.593  899.203  124.593  899.203  124.593  605.307   44.599  605.307   44.599 -0.000000 0.000000 
1 1 1    0    8   17 o  150.302   10.505   54.492   10.202   54.492   10.202   54.492   10.202  150.302   14.856  150.302   14.856 -0.000000 0.000000 
1 1 1    0    8   18 o  544.146   46.120  757.251  159.562  757.251  159.562  757.251  159.562  544.146   65.223  544.146   65.223 -0.000000 0.000000 
1 1 1    0    8   19 o  775.471   43.826  1501.08  221.323  1501.08  221.323  1501.08  221.323  775.471   61.980  775.471   61.980 -0.000000 0.000000 
1 1 1    0    8   20 o   37.649   11.583   4.7513   2.9867   4.7513   2.9867   4.7513   2.9867   37.649   16.380   37.649   16.380 -0.000000 0.000000 
1 1 1    0    8   21 o  184.777   11.915   81.949   14.274   81.949   14.274   81.949   14.274  184.777   16.851  184.777   16.851 -0.000000 0.000000 
1 1 1    0    8   22 o  545.758   45.080  743.731  156.809  743.731  156.809  743.731  156.809  545.758   63.753  545.758   63.753 -0.000000 0.000000 
1 1 1    0    8   23 o  132.011   15.670   44.126   12.514   44.126   12.514   44.126   12.514  132.011   22.161  132.011   22.161 -0.000000 0.000000 
1 1 1    0    8   24 o  393.030   32.741  380.652   81.953  380.652   81.953  380.652   81.953  393.030   46.303  393.030   46.303 -0.000000 0.000000 
1 1 1    0    8   25 o  756.894   63.314  1462.52  305.075  1462.52  305.075  1462.52  305.075  756.894   89.540  756.894   89.540 -0.000000 0.000000 
1 1 1    0    8   26 o  145.000   16.374   52.899   14.493   52.899   14.493   52.899   14.493  145.000   23.157  145.000   23.157 -0.000000 0.000000 
1 1 1    0    8   27 o  514.474   28.345  636.626   95.037  636.626   95.037  636.626   95.037  514.474   40.086  514.474   40.086 -0.000000 0.000000 
1 1 1    0    8   28 o  251.925   15.091  151.946   24.712  151.946   24.712  151.946   24.712  251.925   21.342  251.925   21.342 -0.000000 0.000000 
1 1 1    0    8   29 o  665.745   34.436  1069.88  149.658  1069.88  149.658  1069.88  149.658  665.745   48.699  665.745   48.699 -0.000000 0.000000 
1 1 1    0    8   30 o  347.219   19.978  289.217   45.150  289.217   45.150  289.217   45.150  347.219   28.254  347.219   28.254 -0.000000 0.000000 
1 1 1    0    8   31 o  467.308   39.077  546.206  116.254  546.206  116.254  546.206  116.254  467.308   55.263  467.308   55.263 -0.000000 0.000000 
1 1 1    0    8   37 o  427.357   36.260  459.503   98.515  459.503   98.515  459.503   98.515  427.357   51.279  427.357   51.279 -0.000000 0.000000 
1 1 1    0    8   38 o   65.185   20.475   14.488   9.3265   14.488   9.3265   14.488   9.3265   65.185   28.957   65.185   28.957 -0.000000 0.000000 
1 1 1    0    8   39 o  108.698   12.724   29.958   8.3877   29.958   8.3877   29.958   8.3877  108.698   17.994  108.698   17.994 -0.000000 0.000000 
1 1 1    0    8   40 o   92.584   13.292   22.471   7.1997   22.471   7.1997   22.471   7.1997   92.584   18.798   92.584   18.798 -0.000000 0.000000 
1 1 1    0    8   41 o   38.213   14.911   4.7722   5.4816   4.7722   5.4816   4.7722   5.4816   38.213   21.087   38.213   21.087 -0.000000 0.000000 
1 1 1    0    8   42 o   95.962   10.209   23.041   6.0426   23.041   6.0426   23.041   6.0426   95.962   14.438   95.962   14.438 -0.000000 0.000000 
1 1 1    0    8   43 o   24.058   11.974  -8.4087   7.4568  -8.4087   7.4568  -8.4087   7.4568   24.058   16.934   24.058   16.934 -0.000000 0.000000 
1 1 1    0    8   44 o  267.281   13.079  171.456   22.851  171.456   22.851  171.456   22.851  267.281   18.497  267.281   18.497 -0.000000 0.000000 
1 1 1    0    8   45 o  385.611   16.553  358.701   41.832  358.701   41.832  358.701   41.832  385.611   23.410  385.611   23.410 -0.000000 0.000000 
1 1 1    0    8   46 o   37.813   14.800   4.7040   5.4199   4.7040   5.4199   4.7040   5.4199   37.813   20.931   37.813   20.931 -0.000000 0.000000 
1 1 1    0    8   47 o   84.651   14.290   19.585   6.9370   19.585   6.9370   19.585   6.9370   84.651   20.209   84.651   20.209 -0.000000 0.000000 
1 1 1    0    8   48 o  110.820   12.427   31.182   8.4167   31.182   8.4167   31.182   8.4167  110.820   17.574  110.820   17.574 -0.000000 0.000000 
1 1 1    0    8   49 o   43.167   14.606   6.5411   4.7900   6.5411   4.7900   6.5411   4.7900   43.167   20.655   43.167   20.655 -0.000000 0.000000 
1 1 1    0    8   50 o   22.493   11.381 -11.8775   7.7869 -11.8775   7.7869 -11.8775   7.7869   22.493   16.095   22.493   16.095 -0.000000 0.000000 
1 1 1    0    8   51 o   57.154   20.513   11.810   9.6838   11.810   9.6838   11.810   9.6838   57.154   29.010   57.154   29.010 -0.000000 0.000000 
1 1 1    0    8   52 o   46.427   16.545   7.7000   6.2739   7.7000   6.2739   7.7000   6.2739   46.427   23.398   46.427   23.398 -0.000000 0.000000 
1 1 1    0    8   53 o   27.430   12.366   0.5618   4.9594   0.5618   4.9594   0.5618   4.9594   27.430   17.488   27.430   17.488 -0.000000 0.000000 
1 1 1    0    8   54 f  101.158   11.162   25.974   6.9212   25.974   6.9212   25.974   6.9212  101.158   15.785  101.158   15.785 -0.000000 0.000000 
1 1 1    0    8   55 o   36.194   14.317   4.3147   5.1315   4.3147   5.1315   4.3147   5.1315   36.194   20.247   36.194   20.247 -0.000000 0.000000 
1 1 1    0    8   56 o   49.145   17.166   8.6997   6.6906   8.6997   6.6906   8.6997   6.6906   49.145   24.276   49.145   24.276 -0.000000 0.000000 
1 1 1    0    8   57 o   47.330   15.703   7.9429   5.5091   7.9429   5.5091   7.9429   5.5091   47.330   22.207   47.330   22.207 -0.000000 0.000000 
1 1 1    0    8   58 o   25.129   11.828  -1.3921   5.2922  -1.3921   5.2922  -1.3921   5.2922   25.129   16.727   25.129   16.727 -0.000000 0.000000 
1 1 1    0    8   59 o   45.268   17.086   7.3883   6.9615   7.3883   6.9615   7.3883   6.9615   45.268   24.163   45.268   24.163 -0.000000 0.000000 
1 1 1    0    8   60 o   94.039   14.292   24.036   7.7972   24.036   7.7972   24.036   7.7972   94.039   20.212   94.039   20.212 -0.000000 0.000000 
1 1 1    0    8   61 f   37.842   16.790   2.6583   8.7361   2.6583   8.7361   2.6583   8.7361   37.842   23.745   37.842   23.745 -0.000000 0.000000 
1 1 1    0    8   62 o  135.338   15.382   48.248   12.693   48.248   12.693   48.248   12.693  135.338   21.754  135.338   21.754 -0.000000 0.000000 
1 1 1    0    8   63 o   53.906   18.150   10.792   7.3881   10.792   7.3881   10.792   7.3881   53.906   25.668   53.906   25.668 -0.000000 0.000000 
1 1 1    0    8   64 o   72.794   18.252   17.459   7.9928   17.459   7.9928   17.459   7.9928   72.794   25.812   72.794   25.812 -0.000000 0.000000 
1 1 1    0    8   65 o   52.049   22.233   9.5220   14.015   9.5220   14.015   9.5220   14.015   52.049   31.443   52.049   31.443 -0.000000 0.000000 
1 1 1    0    8   67 o  117.714   28.224   51.397   19.666   51.397   19.666   51.397   19.666  117.714   39.914  117.714   39.914 -0.000000 0.000000 
1 1 1    0    8   68 o  100.640   15.702   29.095   9.1362   29.095   9.1362   29.095   9.1362  100.640   22.206  100.640   22.206 -0.000000 0.000000 
1 1 1    0    8   69 o  128.962   12.529   44.417   10.106   44.417   10.106   44.417   10.106  128.962   17.719  128.962   17.719 -0.000000 0.000000 
1 1 1    0    8   70 o   28.434   13.603  -1.6591   7.5387  -1.6591   7.5387  -1.6591   7.5387   28.434   19.238   28.434   19.238 -0.000000 0.000000 
1 1 1    0    8   71 o   33.196   15.084   2.3403   7.5602   2.3403   7.5602   2.3403   7.5602   33.196   21.332   33.196   21.332 -0.000000 0.000000 
1 1 1    0    8   72 o   42.792   17.113   8.2234   7.4400   8.2234   7.4400   8.2234   7.4400   42.792   24.201   42.792   24.201 -0.000000 0.000000 
1 1 1    0    9    1 o   90.626   14.081   21.830   7.3815   21.830   7.3815   21.830   7.3815   90.626   19.914   90.626   19.914 -0.000000 0.000000 
1 1 1    0    9    2 o   83.567   14.033   18.894   6.7277   18.894   6.7277   18.894   6.7277   83.567   19.846   83.567   19.846 -0.000000 0.000000 
1 1 1    0    9    3 o  153.291   16.118   58.784   15.268   58.784   15.268   58.784   15.268  153.291   22.795  153.291   22.795 -0.000000 0.000000 
1 1 1    0    9    4 f  256.144   22.684  162.461   36.772  162.461   36.772  162.461   36.772  256.144   32.080  256.144   32.080 -0.000000 0.000000 
1 1 1    0    9    5 o  246.368   21.997  150.300   34.265  150.300   34.265  150.300   34.265  246.368   31.108  246.368   31.108 -0.000000 0.000000 
1 1 1    0    9   10 o  282.865   24.626  198.096   44.167  198.096   44.167  198.096   44.167  282.865   34.827  282.865   34.827 -0.000000 0.000000 
1 1 1    0    9   11 o  158.327   16.404   62.605   16.087   62.605   16.087   62.605   16.087  158.327   23.199  158.327   23.199 -0.000000 0.000000 
1 1 1    0    9   12 o   56.986   14.202   10.001   4.8572   10.001   4.8572   10.001   4.8572   56.986   20.085   56.986   20.085 -0.000000 0.000000 
1 1 1    0    9   13 o  323.771   18.591  252.554   39.179  252.554   39.179  252.554   39.179  323.771   26.291  323.771   26.291 -0.000000 0.000000 
1 1 1    0    9   14 o   35.259   12.464   4.2933   3.5448   4.2933   3.5448   4.2933   3.5448   35.259   17.627   35.259   17.627 -0.000000 0.000000 
1 1 1    0    9   15 o  610.518   32.843  913.671  130.761  913.671  130.761  913.671  130.761  610.518   46.447  610.518   46.447 -0.000000 0.000000 
1 1 1    0    9   16 o   63.018   10.152   10.621   3.6849   10.621   3.6849   10.621   3.6849   63.018   14.356   63.018   14.356 -0.000000 0.000000 
1 1 1    0    9   17 o  525.928   28.314  670.778   97.108  670.778   97.108  670.778   97.108  525.928   40.042  525.928   40.042 -0.000000 0.000000 
1 1 1    0    9   18 o   33.101   10.987   3.7567   2.6975   3.7567   2.6975   3.7567   2.6975   33.101   15.539   33.101   15.539 -0.000000 0.000000 
1 1 1    0    9   19 o  533.295   27.566  684.762   95.969  684.762   95.969  684.762   95.969  533.295   38.984  533.295   38.984 -0.000000 0.000000 
1 1 1    0    9   20 o  216.686   12.997  112.353   18.306  112.353   18.306  112.353   18.306  216.686   18.381  216.686   18.381 -0.000000 0.000000 
1 1 1    0    9   21 o  326.987   27.737  262.996   57.661  262.996   57.661  262.996   57.661  326.987   39.226  326.987   39.226 -0.000000 0.000000 
1 1 1    0    9   22 o  926.196   51.012  2110.21  307.912  2110.21  307.912  2110.21  307.912  926.196   72.141  926.196   72.141 -0.000000 0.000000 
1 1 1    0    9   23 o  239.388   14.480  137.200   22.524  137.200   22.524  137.200   22.524  239.388   20.477  239.388   20.477 -0.000000 0.000000 
1 1 1    0    9   24 f  347.037   19.166  287.933   43.344  287.933   43.344  287.933   43.344  347.037   27.105  347.037   27.105 -0.000000 0.000000 
1 1 1    0    9   25 o  682.723   36.425  1127.52  162.211  1127.52  162.211  1127.52  162.211  682.723   51.513  682.723   51.513 -0.000000 0.000000 
1 1 1    0    9   26 o  373.364   20.542  333.550   49.985  333.550   49.985  333.550   49.985  373.364   29.050  373.364   29.050 -0.000000 0.000000 
1 1 1    0    9   27 f  704.326   38.274  1203.45  175.751  1203.45  175.751  1203.45  175.751  704.326   54.128  704.326   54.128 -0.000000 0.000000 
1 1 1    0    9   28 o  428.086   35.565  453.192   96.987  453.192   96.987  453.192   96.987  428.086   50.296  428.086   50.296 -0.000000 0.000000 
1 1 1    0    9   29 o  263.254   23.480  171.015   39.087  171.015   39.087  171.015   39.087  263.254   33.206  263.254   33.206 -0.000000 0.000000 
1 1 1    0    9   30 o  312.184   26.985  240.913   53.454  240.913   53.454  240.913   53.454  312.184   38.163  312.184   38.163 -0.000000 0.000000 
1 1 1    0    9   36 o   66.487   16.109   13.471   6.3602   13.471   6.3602   13.471   6.3602   66.487   22.781   66.487   22.781 -0.000000 0.000000 
1 1 1    0    9   37 o  184.113   12.509   81.816   14.899   81.816   14.899   81.816   14.899  184.113   17.690  184.113   17.690 -0.000000 0.000000 
1 1 1    0    9   38 o   29.598   12.805   1.7401   4.7777   1.7401   4.7777   1.7401   4.7777   29.598   18.108   29.598   18.108 -0.000000 0.000000 
1 1 1    0    9   39 o   34.034   14.087   3.2264   5.3048   3.2264   5.3048   3.2264   5.3048   34.034   19.923   34.034   19.923 -0.000000 0.000000 
1 1 1    0    9   40 f   72.939   15.787   15.591   6.6511   15.591   6.6511   15.591   6.6511   72.939   22.326   72.939   22.326 -0.000000 0.000000 
1 1 1    0    9   41 o   39.586   14.962   5.3132   5.3456   5.3132   5.3456   5.3132   5.3456   39.586   21.159   39.586   21.159 -0.000000 0.000000 
1 1 1    0    9   42 o  161.525   11.911   63.453   12.400   63.453   12.400   63.453   12.400  161.525   16.845  161.525   16.845 -0.000000 0.000000 
1 1 1    0    9   43 o  269.285   16.146  176.249   28.261  176.249   28.261  176.249   28.261  269.285   22.834  269.285   22.834 -0.000000 0.000000 
1 1 1    0    9   44 o  125.736   18.847   42.345   13.774   42.345   13.774   42.345   13.774  125.736   26.653  125.736   26.653 -0.000000 0.000000 
1 1 1    0    9   45 o  112.229   11.986   31.687   8.2913   31.687   8.2913   31.687   8.2913  112.229   16.951  112.229   16.951 -0.000000 0.000000 
1 1 1    0    9   46 o   21.073   10.270  -3.5290   4.7538  -3.5290   4.7538  -3.5290   4.7538   21.073   14.524   21.073   14.524 -0.000000 0.000000 
1 1 1    0    9   47 o  100.090   13.619   26.200   8.0462   26.200   8.0462   26.200   8.0462  100.090   19.261  100.090   19.261 -0.000000 0.000000 
1 1 1    0    9   48 o   27.224   12.026   1.0956   4.4313   1.0956   4.4313   1.0956   4.4313   27.224   17.007   27.224   17.007 -0.000000 0.000000 
1 1 1    0    9   49 o  137.369   12.084   46.830   10.513   46.830   10.513   46.830   10.513  137.369   17.089  137.369   17.089 -0.000000 0.000000 
1 1 1    0    9   50 o   24.720   11.676  -1.6787   5.2353  -1.6787   5.2353  -1.6787   5.2353   24.720   16.512   24.720   16.512 -0.000000 0.000000 
1 1 1    0    9   51 o   42.963   18.249   4.9174   9.3363   4.9174   9.3363   4.9174   9.3363   42.963   25.808   42.963   25.808 -0.000000 0.000000 
1 1 1    0    9   52 o  110.183   12.690   31.122   8.5052   31.122   8.5052   31.122   8.5052  110.183   17.946  110.183   17.946 -0.000000 0.000000 
1 1 1    0    9   53 o  100.669   10.392   25.481   6.4837   25.481   6.4837   25.481   6.4837  100.669   14.696  100.669   14.696 -0.000000 0.000000 
1 1 1    0    9   54 o  244.305   12.347  144.667   19.703  144.667   19.703  144.667   19.703  244.305   17.462  244.305   17.462 -0.000000 0.000000 
1 1 1    0    9   55 o   18.244   9.1364  -5.7403   4.5636  -5.7403   4.5636  -5.7403   4.5636   18.244   12.921   18.244   12.921 -0.000000 0.000000 
1 1 1    0    9   56 o  213.531   11.898  111.183   16.552  111.183   16.552  111.183   16.552  213.531   16.826  213.531   16.826 -0.000000 0.000000 
1 1 1    0    9   57 o   58.521   17.215   11.667   6.6427   11.667   6.6427   11.667   6.6427   58.521   24.346   58.521   24.346 -0.000000 0.000000 
1 1 1    0    9   58 o   27.641   12.980  -1.4017   6.3095  -1.4017   6.3095  -1.4017   6.3095   27.641   18.356   27.641   18.356 -0.000000 0.000000 
1 1 1    0    9   59 o   43.625   16.745   6.7900   6.7927   6.7900   6.7927   6.7900   6.7927   43.625   23.681   43.625   23.681 -0.000000 0.000000 
1 1 1    0    9   60 o  122.832   16.355   40.561   11.902   40.561   11.902   40.561   11.902  122.832   23.129  122.832   23.129 -0.000000 0.000000 
1 1 1    0    9   61 o   52.709   19.694   10.499   9.1717   10.499   9.1717   10.499   9.1717   52.709   27.851   52.709   27.851 -0.000000 0.000000 
1 1 1    0    9   62 o  150.261   11.258   56.238   10.894   56.238   10.894   56.238   10.894  150.261   15.922  150.261   15.922 -0.000000 0.000000 
1 1 1    0    9   63 o  159.456   23.583   74.777   21.899   74.777   21.899   74.777   21.899  159.456   33.351  159.456   33.351 -0.000000 0.000000 
1 1 1    0    9   64 o   78.316   25.489   24.612   14.478   24.612   14.478   24.612   14.478   78.316   36.046   78.316   36.046 -0.000000 0.000000 
1 1 1    0    9   65 o   45.640   20.172   5.7564   12.483   5.7564   12.483   5.7564   12.483   45.640   28.527   45.640   28.527 -0.000000 0.000000 
1 1 1    0    9   66 o   85.990   19.507   24.257   9.7800   24.257   9.7800   24.257   9.7800   85.990   27.588   85.990   27.588 -0.000000 0.000000 
1 1 1    0    9   67 o   24.328   12.659 -37.0243   14.284 -37.0243   14.284 -37.0243   14.284   24.328   17.903   24.328   17.903 -0.000000 0.000000 
1 1 1    0    9   68 o  149.677   28.002   80.057   23.933   80.057   23.933   80.057   23.933  149.677   39.600  149.677   39.600 -0.000000 0.000000 
1 1 1    0    9   69 o   57.733   23.714   17.160   14.852   17.160   14.852   17.160   14.852   57.733   33.537   57.733   33.537 -0.000000 0.000000 
1 1 1    0    9   70 o   34.648   15.435   3.3408   7.4675   3.3408   7.4675   3.3408   7.4675   34.648   21.829   34.648   21.829 -0.000000 0.000000 
1 1 1    0    9   71 o   48.397   18.095   10.468   7.7469   10.468   7.7469   10.468   7.7469   48.397   25.590   48.397   25.590 -0.000000 0.000000 
1 1 1    0   10    0 o  213.911   19.692  112.772   26.537  112.772   26.537  112.772   26.537  213.911   27.849  213.911   27.849 -0.000000 0.000000 
1 1 1    0   10    1 o  246.532   14.618  145.820   23.433  145.820   23.433  145.820   23.433  246.532   20.673  246.532   20.673 -0.000000 0.000000 
1 1 1    0   10    2 o  303.162   17.016  220.481   33.601  220.481   33.601  220.481   33.601  303.162   24.065  303.162   24.065 -0.000000 0.000000 
1 1 1    0   10    3 o  451.208   38.053  513.287  109.217  513.287  109.217  513.287  109.217  451.208   53.814  451.208   53.814 -0.000000 0.000000 
1 1 1    0   10    5 f  845.620   78.176  2001.98  416.252  2001.98  416.252  2001.98  416.252  845.620  110.558  845.620  110.558 -0.000000 0.000000 
1 1 1    0   10    6 o  454.232   38.251  519.674  110.538  519.674  110.538  519.674  110.538  454.232   54.095  454.232   54.095 -0.000000 0.000000 
1 1 1    0   10    7 o  868.162   81.350  2136.11  443.918  2136.11  443.918  2136.11  443.918  868.162  115.047  868.162  115.047 -0.000000 0.000000 
1 1 1    0   10    8 o  227.099   20.676  127.702   29.621  127.702   29.621  127.702   29.621  227.099   29.241  227.099   29.241 -0.000000 0.000000 
1 1 1    0   10    9 o  370.318   31.495  343.189   74.132  343.189   74.132  343.189   74.132  370.318   44.540  370.318   44.540 -0.000000 0.000000 
1 1 1    0   10   10 o  256.831   15.203  158.547   25.391  158.547   25.391  158.547   25.391  256.831   21.501  256.831   21.501 -0.000000 0.000000 
1 1 1    0   10   11 o  435.477   24.029  459.844   68.193  459.844   68.193  459.844   68.193  435.477   33.982  435.477   33.982 -0.000000 0.000000 
1 1 1    0   10   12 o  234.077   21.209  135.871   31.337  135.871   31.337  135.871   31.337  234.077   29.995  234.077   29.995 -0.000000 0.000000 
1 1 1    0   10   13 o   32.505   10.490   3.5970   2.4500   3.5970   2.4500   3.5970   2.4500   32.505   14.834   32.505   14.834 -0.000000 0.000000 
1 1 1    0   10   14 o  454.270   38.234  519.355  110.505  519.355  110.505  519.355  110.505  454.270   54.072  454.270   54.072 -0.000000 0.000000 
1 1 1    0   10   15 o  660.993   57.239  1147.33  240.022  1147.33  240.022  1147.33  240.022  660.993   80.948  660.993   80.948 -0.000000 0.000000 
1 1 1    0   10   16 f  455.191   25.419  500.414   75.375  500.414   75.375  500.414   75.375  455.191   35.947  455.191   35.947 -0.000000 0.000000 
1 1 1    0   10   17 o   45.737   11.332   6.4138   3.1035   6.4138   3.1035   6.4138   3.1035   45.737   16.026   45.737   16.026 -0.000000 0.000000 
1 1 1    0   10   19 o  1062.50   58.194  2810.90  403.024  2810.90  403.024  2810.90  403.024  1062.50   82.299  1062.50   82.299 -0.000000 0.000000 
1 1 1    0   10   20 o  586.173   48.338  859.143  180.618  859.143  180.618  859.143  180.618  586.173   68.360  586.173   68.360 -0.000000 0.000000 
1 1 1    0   10   21 o  831.023   45.578  1687.23  246.874  1687.23  246.874  1687.23  246.874  831.023   64.457  831.023   64.457 -0.000000 0.000000 
1 1 1    0   10   22 o   37.152   12.087   4.7055   3.2555   4.7055   3.2555   4.7055   3.2555   37.152   17.093   37.152   17.093 -0.000000 0.000000 
1 1 1    0   10   23 o  173.097   17.517   74.460   18.851   74.460   18.851   74.460   18.851  173.097   24.773  173.097   24.773 -0.000000 0.000000 
1 1 1    0   10   24 o   42.574   12.704   6.0021   3.6088   6.0021   3.6088   6.0021   3.6088   42.574   17.967   42.574   17.967 -0.000000 0.000000 
1 1 1    0   10   25 o  746.545   40.746  1355.92  198.293  1355.92  198.293  1355.92  198.293  746.545   57.624  746.545   57.624 -0.000000 0.000000 
1 1 1    0   10   26 o  193.724   12.287   89.979   15.441   89.979   15.441   89.979   15.441  193.724   17.376  193.724   17.376 -0.000000 0.000000 
1 1 1    0   10   27 o   71.882   17.314   15.685   7.3775   15.685   7.3775   15.685   7.3775   71.882   24.486   71.882   24.486 -0.000000 0.000000 
1 1 1    0   10   28 f  759.798   65.319  1510.85  315.090  1510.85  315.090  1510.85  315.090  759.798   92.375  759.798   92.375 -0.000000 0.000000 
1 1 1    0   10   29 o   66.632   19.350   14.598   8.4210   14.598   8.4210   14.598   8.4210   66.632   27.365   66.632   27.365 -0.000000 0.000000 
1 1 1    0   10   31 o  511.809   43.056  661.889  140.207  661.889  140.207  661.889  140.207  511.809   60.890  511.809   60.890 -0.000000 0.000000 
1 1 1    0   10   34 o   74.014   20.337   17.643   9.4761   17.643   9.4761   17.643   9.4761   74.014   28.761   74.014   28.761 -0.000000 0.000000 
1 1 1    0   10   35 o  201.398   13.553   97.800   17.666   97.800   17.666   97.800   17.666  201.398   19.167  201.398   19.167 -0.000000 0.000000 
1 1 1    0   10   36 f  109.105   20.612   33.452   12.844   33.452   12.844   33.452   12.844  109.105   29.150  109.105   29.150 -0.000000 0.000000 
1 1 1    0   10   37 o  101.996   20.326   29.776   11.863   29.776   11.863   29.776   11.863  101.996   28.745  101.996   28.745 -0.000000 0.000000 
1 1 1    0   10   38 o  268.089   16.228  173.706   28.270  173.706   28.270  173.706   28.270  268.089   22.950  268.089   22.950 -0.000000 0.000000 
1 1 1    0   10   39 o   23.793   11.260  -1.7767   4.9106  -1.7767   4.9106  -1.7767   4.9106   23.793   15.924   23.793   15.924 -0.000000 0.000000 
1 1 1    0   10   40 o  188.718   12.878   86.249   15.720   86.249   15.720   86.249   15.720  188.718   18.213  188.718   18.213 -0.000000 0.000000 
1 1 1    0   10   41 o  374.084   21.616  342.702   52.622  342.702   52.622  342.702   52.622  374.084   30.569  374.084   30.569 -0.000000 0.000000 
1 1 1    0   10   42 o   37.373   14.774   4.5035   5.4614   4.5035   5.4614   4.5035   5.4614   37.373   20.894   37.373   20.894 -0.000000 0.000000 
1 1 1    0   10   43 o  301.045   17.744  221.210   34.741  221.210   34.741  221.210   34.741  301.045   25.094  301.045   25.094 -0.000000 0.000000 
1 1 1    0   10   44 o   17.367   8.7594  -6.5395   4.4725  -6.5395   4.4725  -6.5395   4.4725   17.367   12.388   17.367   12.388 -0.000000 0.000000 
1 1 1    0   10   45 o  151.985   11.846   56.561   11.531   56.561   11.531   56.561   11.531  151.985   16.753  151.985   16.753 -0.000000 0.000000 
1 1 1    0   10   46 o   26.386   12.089  -0.1563   4.9906  -0.1563   4.9906  -0.1563   4.9906   26.386   17.096   26.386   17.096 -0.000000 0.000000 
1 1 1    0   10   47 o   61.016   20.081   13.201   8.9976   13.201   8.9976   13.201   8.9976   61.016   28.399   61.016   28.399 -0.000000 0.000000 
1 1 1    0   10   48 o  180.331   10.185   78.385   11.961   78.385   11.961   78.385   11.961  180.331   14.404  180.331   14.404 -0.000000 0.000000 
1 1 1    0   10   49 o   30.622   13.538   1.4037   5.6272   1.4037   5.6272   1.4037   5.6272   30.622   19.146   30.622   19.146 -0.000000 0.000000 
1 1 1    0   10   50 o   28.248   13.695  -5.1451   8.1992  -5.1451   8.1992  -5.1451   8.1992   28.248   19.368   28.248   19.368 -0.000000 0.000000 
1 1 1    0   10   51 o   70.175   16.736   15.237   6.9407   15.237   6.9407   15.237   6.9407   70.175   23.668   70.175   23.668 -0.000000 0.000000 
1 1 1    0   10   52 o   57.266   16.775   11.079   6.3136   11.079   6.3136   11.079   6.3136   57.266   23.724   57.266   23.724 -0.000000 0.000000 
1 1 1    0   10   53 o   44.747   15.183   7.0844   5.1796   7.0844   5.1796   7.0844   5.1796   44.747   21.471   44.747   21.471 -0.000000 0.000000 
1 1 1    0   10   54 o   16.450   8.4422 -10.4234   5.0563 -10.4234   5.0563 -10.4234   5.0563   16.450   11.939   16.450   11.939 -0.000000 0.000000 
1 1 1    0   10   55 o   63.023   16.681   12.895   6.4818   12.895   6.4818   12.895   6.4818   63.023   23.591   63.023   23.591 -0.000000 0.000000 
1 1 1    0   10   56 o  125.487   10.734   39.053   8.5563   39.053   8.5563   39.053   8.5563  125.487   15.180  125.487   15.180 -0.000000 0.000000 
1 1 1    0   10   57 f   45.174   16.444   7.3674   6.2733   7.3674   6.2733   7.3674   6.2733   45.174   23.255   45.174   23.255 -0.000000 0.000000 
1 1 1    0   10   58 o  123.625   11.145   38.278   8.7026   38.278   8.7026   38.278   8.7026  123.625   15.762  123.625   15.762 -0.000000 0.000000 
1 1 1    0   10   59 o   42.138   17.899   5.0917   8.9826   5.0917   8.9826   5.0917   8.9826   42.138   25.313   42.138   25.313 -0.000000 0.000000 
1 1 1    0   10   60 o  126.651   15.819   42.718   12.009   42.718   12.009   42.718   12.009  126.651   22.372  126.651   22.372 -0.000000 0.000000 
1 1 1    0   10   61 o  123.784   15.880   41.097   11.724   41.097   11.724   41.097   11.724  123.784   22.458  123.784   22.458 -0.000000 0.000000 
1 1 1    0   10   62 o  144.165   11.339   52.041   10.462   52.041   10.462   52.041   10.462  144.165   16.036  144.165   16.036 -0.000000 0.000000 
1 1 1    0   10   63 o  140.740   11.491   50.046   10.318   50.046   10.318   50.046   10.318  140.740   16.250  140.740   16.250 -0.000000 0.000000 
1 1 1    0   10   64 o  160.793   14.241   67.029   14.492   67.029   14.492   67.029   14.492  160.793   20.140  160.793   20.140 -0.000000 0.000000 
1 1 1    0   10   65 o   81.268   23.767   25.300   12.678   25.300   12.678   25.300   12.678   81.268   33.611   81.268   33.611 -0.000000 0.000000 
1 1 1    0   10   66 o   22.660   11.421  -9.6693   7.5568  -9.6693   7.5568  -9.6693   7.5568   22.660   16.152   22.660   16.152 -0.000000 0.000000 
1 1 1    0   10   67 o   45.743   18.715   8.2853   9.1931   8.2853   9.1931   8.2853   9.1931   45.743   26.467   45.743   26.467 -0.000000 0.000000 
1 1 1    0   10   68 o   35.733   15.654   3.8264   7.3532   3.8264   7.3532   3.8264   7.3532   35.733   22.138   35.733   22.138 -0.000000 0.000000 
1 1 1    0   10   69 o   29.919   14.447  -2.6043   8.9219  -2.6043   8.9219  -2.6043   8.9219   29.919   20.431   29.919   20.431 -0.000000 0.000000 
1 1 1    0   10   70 o   93.452   20.486   30.345   11.080   30.345   11.080   30.345   11.080   93.452   28.972   93.452   28.972 -0.000000 0.000000 
1 1 1    0   10   71 o   28.418   13.920  -3.7980   9.0087  -3.7980   9.0087  -3.7980   9.0087   28.418   19.686   28.418   19.686 -0.000000 0.000000 
1 1 1    0   11    1 o  367.165   16.643  321.576   40.007  321.576   40.007  321.576   40.007  367.165   23.536  367.165   23.536 -0.000000 0.000000 
1 1 1    0   11    2 o   95.732   7.0836   22.144   4.3696   22.144   4.3696   22.144   4.3696   95.732   10.018   95.732   10.018 -0.000000 0.000000 
1 1 1    0   11    3 o   16.311   7.0788   0.4937   1.4707   0.4937   1.4707   0.4937   1.4707   16.311   10.011   16.311   10.011 -0.000000 0.000000 
1 1 1    0   11    4 o  421.984   23.565  431.569   64.782  431.569   64.782  431.569   64.782  421.984   33.327  421.984   33.327 -0.000000 0.000000 
1 1 1    0   11    5 f  205.165   12.563  101.082   16.741  101.082   16.741  101.082   16.741  205.165   17.766  205.165   17.766 -0.000000 0.000000 
1 1 1    0   11    6 o  377.651   17.837  341.343   44.066  341.343   44.066  341.343   44.066  377.651   25.225  377.651   25.225 -0.000000 0.000000 
1 1 1    0   11    7 o   20.751   8.5786   1.1862   1.9628   1.1862   1.9628   1.1862   1.9628   20.751   12.132   20.751   12.132 -0.000000 0.000000 
1 1 1    0   11    8 o  401.335   34.059  404.980   86.899  404.980   86.899  404.980   86.899  401.335   48.166  401.335   48.166 -0.000000 0.000000 
1 1 1    0   11    9 o   42.011   10.876   5.5131   2.7869   5.5131   2.7869   5.5131   2.7869   42.011   15.381   42.011   15.381 -0.000000 0.000000 
1 1 1    0   11   10 o   55.014   10.438   8.4488   3.2797   8.4488   3.2797   8.4488   3.2797   55.014   14.761   55.014   14.761 -0.000000 0.000000 
1 1 1    0   11   11 o  505.747   26.954  618.818   88.922  618.818   88.922  618.818   88.922  505.747   38.119  505.747   38.119 -0.000000 0.000000 
1 1 1    0   11   12 o  433.562   24.296  454.113   68.617  454.113   68.617  454.113   68.617  433.562   34.360  433.562   34.360 -0.000000 0.000000 
1 1 1    0   11   13 f  150.025   10.546   54.275   10.220   54.275   10.220   54.275   10.220  150.025   14.914  150.025   14.914 -0.000000 0.000000 
1 1 1    0   11   14 o  334.015   18.486  267.261   40.235  267.261   40.235  267.261   40.235  334.015   26.143  334.015   26.143 -0.000000 0.000000 
1 1 1    0   11   15 o  359.200   20.276  309.292   47.431  309.292   47.431  309.292   47.431  359.200   28.675  359.200   28.675 -0.000000 0.000000 
1 1 1    0   11   16 o   50.510   11.302   7.5173   3.3183   7.5173   3.3183   7.5173   3.3183   50.510   15.983   50.510   15.983 -0.000000 0.000000 
1 1 1    0   11   17 o  1304.62   74.807  4361.98  635.279  4361.98  635.279  4361.98  635.279  1304.62  105.793  1304.62  105.793 -0.000000 0.000000 
1 1 1    0   11   18 o  185.217   12.012   82.320   14.420   82.320   14.420   82.320   14.420  185.217   16.987  185.217   16.987 -0.000000 0.000000 
1 1 1    0   11   19 f  285.572   16.621  195.108   30.882  195.108   30.882  195.108   30.882  285.572   23.506  285.572   23.506 -0.000000 0.000000 
1 1 1    0   11   20 f  365.055   19.804  318.508   47.136  318.508   47.136  318.508   47.136  365.055   28.007  365.055   28.007 -0.000000 0.000000 
1 1 1    0   11   21 o  878.551   74.916  2011.27  418.237  2011.27  418.237  2011.27  418.237  878.551  105.947  878.551  105.947 -0.000000 0.000000 
1 1 1    0   11   22 o  536.980   29.400  693.878  102.904  693.878  102.904  693.878  102.904  536.980   41.578  536.980   41.578 -0.000000 0.000000 
1 1 1    0   11   23 o  830.224   45.739  1687.15  247.477  1687.15  247.477  1687.15  247.477  830.224   64.685  830.224   64.685 -0.000000 0.000000 
1 1 1    0   11   24 o   20.754   9.5109  -0.1782   3.0920  -0.1782   3.0920  -0.1782   3.0920   20.754   13.450   20.754   13.450 -0.000000 0.000000 
1 1 1    0   11   25 o  253.932   22.656  158.786   36.379  158.786   36.379  158.786   36.379  253.932   32.041  253.932   32.041 -0.000000 0.000000 
1 1 1    0   11   26 o  149.594   16.823   56.331   15.373   56.331   15.373   56.331   15.373  149.594   23.791  149.594   23.791 -0.000000 0.000000 
1 1 1    0   11   29 o   52.963   19.537   9.6071   8.9406   9.6071   8.9406   9.6071   8.9406   52.963   27.630   52.963   27.630 -0.000000 0.000000 
1 1 1    0   11   30 o   65.032   20.859   14.455   9.6813   14.455   9.6813   14.455   9.6813   65.032   29.498   65.032   29.498 -0.000000 0.000000 
1 1 1    0   11   34 o  186.676   12.634   84.006   15.260   84.006   15.260   84.006   15.260  186.676   17.868  186.676   17.868 -0.000000 0.000000 
1 1 1    0   11   35 o  235.570   14.650  133.696   22.403  133.696   22.403  133.696   22.403  235.570   20.718  235.570   20.718 -0.000000 0.000000 
1 1 1    0   11   36 o  105.481   12.334   28.197   7.8918   28.197   7.8918   28.197   7.8918  105.481   17.443  105.481   17.443 -0.000000 0.000000 
1 1 1    0   11   37 o   61.264   16.840   12.109   6.4967   12.109   6.4967   12.109   6.4967   61.264   23.816   61.264   23.816 -0.000000 0.000000 
1 1 1    0   11   38 o  401.666   22.815  393.977   59.669  393.977   59.669  393.977   59.669  401.666   32.265  401.666   32.265 -0.000000 0.000000 
1 1 1    0   11   39 o  190.415   13.114   87.880   16.145   87.880   16.145   87.880   16.145  190.415   18.546  190.415   18.546 -0.000000 0.000000 
1 1 1    0   11   40 f   87.214   14.082   20.484   7.0725   20.484   7.0725   20.484   7.0725   87.214   19.915   87.214   19.915 -0.000000 0.000000 
1 1 1    0   11   41 o   32.064   13.738   2.3218   5.3834   2.3218   5.3834   2.3218   5.3834   32.064   19.429   32.064   19.429 -0.000000 0.000000 
1 1 1    0   11   42 f   35.226   14.347   3.7191   5.3656   3.7191   5.3656   3.7191   5.3656   35.226   20.290   35.226   20.290 -0.000000 0.000000 
1 1 1    0   11   43 o  225.072   14.533  123.280   21.204  123.280   21.204  123.280   21.204  225.072   20.553  225.072   20.553 -0.000000 0.000000 
1 1 1    0   11   44 o   32.990   13.752   2.9806   5.1190   2.9806   5.1190   2.9806   5.1190   32.990   19.448   32.990   19.448 -0.000000 0.000000 
1 1 1    0   11   45 o  111.812   19.217   34.694   12.306   34.694   12.306   34.694   12.306  111.812   27.177  111.812   27.177 -0.000000 0.000000 
1 1 1    0   11   46 o   14.916   7.6861 -10.1004   4.4425 -10.1004   4.4425 -10.1004   4.4425   14.916   10.870   14.916   10.870 -0.000000 0.000000 
1 1 1    0   11   47 o   40.544   15.348   5.6878   5.6330   5.6878   5.6330   5.6878   5.6330   40.544   21.705   40.544   21.705 -0.000000 0.000000 
1 1 1    0   11   48 o  214.351   21.632  118.935   28.839  118.935   28.839  118.935   28.839  214.351   30.592  214.351   30.592 -0.000000 0.000000 
1 1 1    0   11   49 o   75.759   20.936   19.078   10.019   19.078   10.019   19.078   10.019   75.759   29.607   75.759   29.607 -0.000000 0.000000 
1 1 1    0   11   51 o  198.453   13.513   96.973   17.347   96.973   17.347   96.973   17.347  198.453   19.110  198.453   19.110 -0.000000 0.000000 
1 1 1    0   11   52 o   53.937   17.794   10.333   7.0666   10.333   7.0666   10.333   7.0666   53.937   25.165   53.937   25.165 -0.000000 0.000000 
1 1 1    0   11   53 o   27.839   12.745  -0.0472   5.5335  -0.0472   5.5335  -0.0472   5.5335   27.839   18.024   27.839   18.024 -0.000000 0.000000 
1 1 1    0   11   54 o   40.685   15.931   5.6406   6.2821   5.6406   6.2821   5.6406   6.2821   40.685   22.529   40.685   22.529 -0.000000 0.000000 
1 1 1    0   11   55 o  152.375   13.396   58.282   12.929   58.282   12.929   58.282   12.929  152.375   18.945  152.375   18.945 -0.000000 0.000000 
1 1 1    0   11   56 o   86.545   14.846   20.833   7.3598   20.833   7.3598   20.833   7.3598   86.545   20.996   86.545   20.996 -0.000000 0.000000 
1 1 1    0   11   57 o   46.057   18.033   7.4940   8.0493   7.4940   8.0493   7.4940   8.0493   46.057   25.503   46.057   25.503 -0.000000 0.000000 
1 1 1    0   11   58 o   51.505   18.943   9.8477   8.3858   9.8477   8.3858   9.8477   8.3858   51.505   26.789   51.505   26.789 -0.000000 0.000000 
1 1 1    0   11   59 o   20.355   10.439 -15.1138   7.6624 -15.1138   7.6624 -15.1138   7.6624   20.355   14.763   20.355   14.763 -0.000000 0.000000 
1 1 1    0   11   60 o   33.153   16.193  -7.5732   11.969  -7.5732   11.969  -7.5732   11.969   33.153   22.900   33.153   22.900 -0.000000 0.000000 
1 1 1    0   11   61 o  122.926   11.622   38.355   8.9688   38.355   8.9688   38.355   8.9688  122.926   16.435  122.926   16.435 -0.000000 0.000000 
1 1 1    0   11   62 o   57.318   17.978   11.978   7.1905   11.978   7.1905   11.978   7.1905   57.318   25.425   57.318   25.425 -0.000000 0.000000 
1 1 1    0   11   63 o   49.593   17.765   9.3621   7.2550   9.3621   7.2550   9.3621   7.2550   49.593   25.124   49.593   25.124 -0.000000 0.000000 
1 1 1    0   11   64 o   64.022   19.511   15.138   8.4828   15.138   8.4828   15.138   8.4828   64.022   27.593   64.022   27.593 -0.000000 0.000000 
1 1 1    0   11   65 o  105.968   25.236   40.143   15.797   40.143   15.797   40.143   15.797  105.968   35.689  105.968   35.689 -0.000000 0.000000 
1 1 1    0   11   66 o   97.092   17.737   28.341   9.8369   28.341   9.8369   28.341   9.8369   97.092   25.084   97.092   25.084 -0.000000 0.000000 
1 1 1    0   11   67 f   38.069   15.760   5.3598   6.6401   5.3598   6.6401   5.3598   6.6401   38.069   22.287   38.069   22.287 -0.000000 0.000000 
1 1 1    0   11   68 o  147.742   11.479   57.064   10.864   57.064   10.864   57.064   10.864  147.742   16.234  147.742   16.234 -0.000000 0.000000 
1 1 1    0   11   69 o   47.593   17.052   9.4760   6.6848   9.4760   6.6848   9.4760   6.6848   47.593   24.115   47.593   24.115 -0.000000 0.000000 
1 1 1    0   11   70 o   24.335   11.931  -3.7896   6.6591  -3.7896   6.6591  -3.7896   6.6591   24.335   16.873   24.335   16.873 -0.000000 0.000000 
1 1 1    0   12    0 o  748.813   62.515  1428.75  298.066  1428.75  298.066  1428.75  298.066  748.813   88.410  748.813   88.410 -0.000000 0.000000 
1 1 1    0   12    1 o   68.420   9.7978   12.214   3.9234   12.214   3.9234   12.214   3.9234   68.420   13.856   68.420   13.856 -0.000000 0.000000 
1 1 1    0   12    2 o  275.408   12.738  180.265   22.960  180.265   22.960  180.265   22.960  275.408   18.015  275.408   18.015 -0.000000 0.000000 
1 1 1    0   12    3 f  1011.94   43.789  2539.51  290.360  2539.51  290.360  2539.51  290.360  1011.94   61.927  1011.94   61.927 -0.000000 0.000000 
1 1 1    0   12    4 o  165.104   11.100   65.606   11.861   65.606   11.861   65.606   11.861  165.104   15.698  165.104   15.698 -0.000000 0.000000 
1 1 1    0   12    5 o  701.850   38.752  1215.65  177.243  1215.65  177.243  1215.65  177.243  701.850   54.804  701.850   54.804 -0.000000 0.000000 
1 1 1    0   12    6 o   85.162   9.2109   18.128   4.8243   18.128   4.8243   18.128   4.8243   85.162   13.026   85.162   13.026 -0.000000 0.000000 
1 1 1    0   12    7 o  805.398   45.483  1624.90  238.558  1624.90  238.558  1624.90  238.558  805.398   64.322  805.398   64.322 -0.000000 0.000000 
1 1 1    0   12    8 o  243.341   14.595  142.070   23.085  142.070   23.085  142.070   23.085  243.341   20.641  243.341   20.641 -0.000000 0.000000 
1 1 1    0   12    9 f  824.388   44.582  1690.54  239.645  1690.54  239.645  1690.54  239.645  824.388   63.049  824.388   63.049 -0.000000 0.000000 
1 1 1    0   12   10 o  324.392   17.869  251.986   37.777  251.986   37.777  251.986   37.777  324.392   25.271  324.392   25.271 -0.000000 0.000000 
1 1 1    0   12   11 o   95.756   9.2690   22.631   5.5543   22.631   5.5543   22.631   5.5543   95.756   13.108   95.756   13.108 -0.000000 0.000000 
1 1 1    0   12   13 o  195.504   12.030   91.516   15.274   91.516   15.274   91.516   15.274  195.504   17.013  195.504   17.013 -0.000000 0.000000 
1 1 1    0   12   14 o   67.939   10.349   12.184   4.0775   12.184   4.0775   12.184   4.0775   67.939   14.635   67.939   14.635 -0.000000 0.000000 
1 1 1    0   12   15 o  231.706   20.961  132.178   30.663  132.178   30.663  132.178   30.663  231.706   29.643  231.706   29.643 -0.000000 0.000000 
1 1 1    0   12   16 o  102.522   9.5930   25.850   6.1829   25.850   6.1829   25.850   6.1829  102.522   13.566  102.522   13.566 -0.000000 0.000000 
1 1 1    0   12   17 o  374.255   20.688  335.129   50.453  335.129   50.453  335.129   50.453  374.255   29.257  374.255   29.257 -0.000000 0.000000 
1 1 1    0   12   18 o  298.882   17.031  213.594   33.141  213.594   33.141  213.594   33.141  298.882   24.086  298.882   24.086 -0.000000 0.000000 
1 1 1    0   12   19 o   73.384   10.746   14.103   4.5993   14.103   4.5993   14.103   4.5993   73.384   15.197   73.384   15.197 -0.000000 0.000000 
1 1 1    0   12   20 o  280.567   16.193  188.261   29.568  188.261   29.568  188.261   29.568  280.567   22.901  280.567   22.901 -0.000000 0.000000 
1 1 1    0   12   21 o   25.264   10.572   1.6454   3.0465   1.6454   3.0465   1.6454   3.0465   25.264   14.952   25.264   14.952 -0.000000 0.000000 
1 1 1    0   12   22 o  282.868   24.601  196.804   44.128  196.804   44.128  196.804   44.128  282.868   34.792  282.868   34.792 -0.000000 0.000000 
1 1 1    0   12   23 o   61.961   17.005   12.299   6.6286   12.299   6.6286   12.299   6.6286   61.961   24.049   61.961   24.049 -0.000000 0.000000 
1 1 1    0   12   24 o  208.876   19.759  107.908   25.909  107.908   25.909  107.908   25.909  208.876   27.943  208.876   27.943 -0.000000 0.000000 
1 1 1    0   12   26 o  290.285   25.265  208.082   46.504  208.082   46.504  208.082   46.504  290.285   35.731  290.285   35.731 -0.000000 0.000000 
1 1 1    0   12   28 o   35.389   15.830   1.1216   7.9441   1.1216   7.9441   1.1216   7.9441   35.389   22.386   35.389   22.386 -0.000000 0.000000 
1 1 1    0   12   29 o  292.035   25.714  211.208   47.556  211.208   47.556  211.208   47.556  292.035   36.365  292.035   36.365 -0.000000 0.000000 
1 1 1    0   12   32 o  139.802   18.614   50.594   15.418   50.594   15.418   50.594   15.418  139.802   26.324  139.802   26.324 -0.000000 0.000000 
1 1 1    0   12   33 o  503.137   27.438  615.450   89.995  615.450   89.995  615.450   89.995  503.137   38.803  503.137   38.803 -0.000000 0.000000 
1 1 1    0   12   34 o   30.232   14.311  -2.8632   7.9431  -2.8632   7.9431  -2.8632   7.9431   30.232   20.239   30.232   20.239 -0.000000 0.000000 
1 1 1    0   12   35 o  176.988   12.346   75.821   14.120   75.821   14.120   75.821   14.120  176.988   17.460  176.988   17.460 -0.000000 0.000000 
1 1 1    0   12   36 o   52.976   16.517   9.5267   6.0707   9.5267   6.0707   9.5267   6.0707   52.976   23.359   52.976   23.359 -0.000000 0.000000 
1 1 1    0   12   37 o   59.038   17.019   11.482   6.5285   11.482   6.5285   11.482   6.5285   59.038   24.069   59.038   24.069 -0.000000 0.000000 
1 1 1    0   12   39 o  208.379   13.683  105.230   18.472  105.230   18.472  105.230   18.472  208.379   19.351  208.379   19.351 -0.000000 0.000000 
1 1 1    0   12   40 o   36.672   14.741   4.1814   5.5587   4.1814   5.5587   4.1814   5.5587   36.672   20.847   36.672   20.847 -0.000000 0.000000 
1 1 1    0   12   41 o   58.241   20.290   12.021   9.3375   12.021   9.3375   12.021   9.3375   58.241   28.694   58.241   28.694 -0.000000 0.000000 
1 1 1    0   12   42 o   81.501   14.627   18.424   6.8128   18.424   6.8128   18.424   6.8128   81.501   20.686   81.501   20.686 -0.000000 0.000000 
1 1 1    0   12   43 o   75.055   22.397   19.229   11.216   19.229   11.216   19.229   11.216   75.055   31.674   75.055   31.674 -0.000000 0.000000 
1 1 1    0   12   44 o   85.115   14.114   19.721   6.8995   19.721   6.8995   19.721   6.8995   85.115   19.960   85.115   19.960 -0.000000 0.000000 
1 1 1    0   12   45 o  157.674   12.004   60.969   12.143   60.969   12.143   60.969   12.143  157.674   16.976  157.674   16.976 -0.000000 0.000000 
1 1 1    0   12   46 o   60.704   16.317   11.919   6.1548   11.919   6.1548   11.919   6.1548   60.704   23.075   60.704   23.075 -0.000000 0.000000 
1 1 1    0   12   47 o   72.486   15.815   15.596   6.6301   15.596   6.6301   15.596   6.6301   72.486   22.366   72.486   22.366 -0.000000 0.000000 
1 1 1    0   12   48 o  176.021   20.242   81.099   21.680   81.099   21.680   81.099   21.680  176.021   28.626  176.021   28.626 -0.000000 0.000000 
1 1 1    0   12   50 o   22.310   11.158  -8.1350   6.7301  -8.1350   6.7301  -8.1350   6.7301   22.310   15.779   22.310   15.779 -0.000000 0.000000 
1 1 1    0   12   51 o  200.038   22.589  106.416   27.582  106.416   27.582  106.416   27.582  200.038   31.945  200.038   31.945 -0.000000 0.000000 
1 1 1    0   12   52 o   42.778   18.852   3.4587   10.825   3.4587   10.825   3.4587   10.825   42.778   26.661   42.778   26.661 -0.000000 0.000000 
1 1 1    0   12   53 o   31.064   13.604   1.7994   5.5481   1.7994   5.5481   1.7994   5.5481   31.064   19.239   31.064   19.239 -0.000000 0.000000 
1 1 1    0   12   54 o  131.336   10.863   42.725   9.0923   42.725   9.0923   42.725   9.0923  131.336   15.363  131.336   15.363 -0.000000 0.000000 
1 1 1    0   12   55 o   25.784   12.596  -5.3155   7.2496  -5.3155   7.2496  -5.3155   7.2496   25.784   17.813   25.784   17.813 -0.000000 0.000000 
1 1 1    0   12   56 f   41.892   16.864   5.8580   7.2890   5.8580   7.2890   5.8580   7.2890   41.892   23.850   41.892   23.850 -0.000000 0.000000 
1 1 1    0   12   57 o   49.058   17.115   8.7890   6.6479   8.7890   6.6479   8.7890   6.6479   49.058   24.204   49.058   24.204 -0.000000 0.000000 
1 1 1    0   12   58 o   95.464   18.814   27.017   10.270   27.017   10.270   27.017   10.270   95.464   26.608   95.464   26.608 -0.000000 0.000000 
1 1 1    0   12   59 o  197.098   14.538   98.372   18.467   98.372   18.467   98.372   18.467  197.098   20.560  197.098   20.560 -0.000000 0.000000 
1 1 1    0   12   60 o   60.997   17.739   12.902   7.0745   12.902   7.0745   12.902   7.0745   60.997   25.087   60.997   25.087 -0.000000 0.000000 
1 1 1    0   12   61 o  155.470   11.079   60.275   11.119   60.275   11.119   60.275   11.119  155.470   15.668  155.470   15.668 -0.000000 0.000000 
1 1 1    0   12   62 o   23.037   11.331  -4.9729   6.1334  -4.9729   6.1334  -4.9729   6.1334   23.037   16.025   23.037   16.025 -0.000000 0.000000 
1 1 1    0   12   63 f  102.789   17.107   30.399   10.096   30.399   10.096   30.399   10.096  102.789   24.193  102.789   24.193 -0.000000 0.000000 
1 1 1    0   12   64 o   29.640   14.185  -2.5174   8.2127  -2.5174   8.2127  -2.5174   8.2127   29.640   20.061   29.640   20.061 -0.000000 0.000000 
1 1 1    0   12   65 o  141.258   25.149   64.394   20.307   64.394   20.307   64.394   20.307  141.258   35.566  141.258   35.566 -0.000000 0.000000 
1 1 1    0   12   66 o   33.291   15.312   1.2439   8.1115   1.2439   8.1115   1.2439   8.1115   33.291   21.654   33.291   21.654 -0.000000 0.000000 
1 1 1    0   12   67 o   56.370   17.619   12.329   6.9069   12.329   6.9069   12.329   6.9069   56.370   24.917   56.370   24.917 -0.000000 0.000000 
1 1 1    0   12   68 o  112.875   12.381   34.650   8.5747   34.650   8.5747   34.650   8.5747  112.875   17.509  112.875   17.509 -0.000000 0.000000 
1 1 1    0   12   69 o   27.463   12.875  -0.1342   6.1682  -0.1342   6.1682  -0.1342   6.1682   27.463   18.208   27.463   18.208 -0.000000 0.000000 
1 1 1    0   12   70 o   96.740   13.488   27.070   7.6698   27.070   7.6698   27.070   7.6698   96.740   19.075   96.740   19.075 -0.000000 0.000000 
1 1 1    0   13    1 o  412.298   22.036  408.062   59.259  408.062   59.259  408.062   59.259  412.298   31.163  412.298   31.163 -0.000000 0.000000 
1 1 1    0   13    2 o  321.694   14.793  245.983   31.147  245.983   31.147  245.983   31.147  321.694   20.920  321.694   20.920 -0.000000 0.000000 
1 1 1    0   13    3 o  101.909   7.4092   25.055   4.8696   25.055   4.8696   25.055   4.8696  101.909   10.478  101.909   10.478 -0.000000 0.000000 
1 1 1    0   13    4 o  388.846   16.881  359.235   43.009  359.235   43.009  359.235   43.009  388.846   23.873  388.846   23.873 -0.000000 0.000000 
1 1 1    0   13    5 o  829.129   43.443  1686.84  235.064  1686.84  235.064  1686.84  235.064  829.129   61.438  829.129   61.438 -0.000000 0.000000 
1 1 1    0   13    6 o  211.824   13.183  107.569   18.128  107.569   18.128  107.569   18.128  211.824   18.644  211.824   18.644 -0.000000 0.000000 
1 1 1    0   13    7 o  137.603   10.037   45.711   8.9058   45.711   8.9058   45.711   8.9058  137.603   14.194  137.603   14.194 -0.000000 0.000000 
1 1 1    0   13    8 o  165.004   11.209   65.484   11.966   65.484   11.966   65.484   11.966  165.004   15.853  165.004   15.853 -0.000000 0.000000 
1 1 1    0   13    9 o  594.328   49.146  885.977  186.147  885.977  186.147  885.977  186.147  594.328   69.502  594.328   69.502 -0.000000 0.000000 
1 1 1    0   13   10 o  706.832   37.899  1210.74  174.711  1210.74  174.711  1210.74  174.711  706.832   53.597  706.832   53.597 -0.000000 0.000000 
1 1 1    0   13   11 o  133.651   10.141   43.220   8.6974   43.220   8.6974   43.220   8.6974  133.651   14.341  133.651   14.341 -0.000000 0.000000 
1 1 1    0   13   12 o   87.323   9.5537   19.071   5.1209   19.071   5.1209   19.071   5.1209   87.323   13.511   87.323   13.511 -0.000000 0.000000 
1 1 1    0   13   13 o  1284.92  122.753  4778.46  988.901  4778.46  988.901  4778.46  988.901  1284.92  173.599  1284.92  173.599 -0.000000 0.000000 
1 1 1    0   13   14 o  269.940   15.758  174.292   27.673  174.292   27.673  174.292   27.673  269.940   22.285  269.940   22.285 -0.000000 0.000000 
1 1 1    0   13   15 o  486.976   26.230  568.861   83.297  568.861   83.297  568.861   83.297  486.976   37.095  486.976   37.095 -0.000000 0.000000 
1 1 1    0   13   16 f  323.038   27.459  256.605   56.384  256.605   56.384  256.605   56.384  323.038   38.833  323.038   38.833 -0.000000 0.000000 
1 1 1    0   13   17 o  533.188   25.221  679.048   87.965  679.048   87.965  679.048   87.965  533.188   35.667  533.188   35.667 -0.000000 0.000000 
1 1 1    0   13   18 o   58.303   12.722   9.9267   4.2900   9.9267   4.2900   9.9267   4.2900   58.303   17.992   58.303   17.992 -0.000000 0.000000 
1 1 1    0   13   19 o  524.785   27.939  661.502   95.643  661.502   95.643  661.502   95.643  524.785   39.512  524.785   39.512 -0.000000 0.000000 
1 1 1    0   13   20 o  426.744   35.431  449.999   96.325  449.999   96.325  449.999   96.325  426.744   50.106  426.744   50.106 -0.000000 0.000000 
1 1 1    0   13   21 o  132.444   16.235   44.641   12.931   44.641   12.931   44.641   12.931  132.444   22.960  132.444   22.960 -0.000000 0.000000 
1 1 1    0   13   22 o   94.284   17.474   24.684   9.4086   24.684   9.4086   24.684   9.4086   94.284   24.712   94.284   24.712 -0.000000 0.000000 
1 1 1    0   13   24 o   18.745   9.2479  -4.0492   4.1697  -4.0492   4.1697  -4.0492   4.1697   18.745   13.078   18.745   13.078 -0.000000 0.000000 
1 1 1    0   13   25 o  1105.68  111.015  3687.78  764.024  3687.78  764.024  3687.78  764.024  1105.68  156.999  1105.68  156.999 -0.000000 0.000000 
1 1 1    0   13   26 o   73.555   19.302   17.053   8.7168   17.053   8.7168   17.053   8.7168   73.555   27.297   73.555   27.297 -0.000000 0.000000 
1 1 1    0   13   27 o  127.613   18.897   42.942   14.041   42.942   14.041   42.942   14.041  127.613   26.725  127.613   26.725 -0.000000 0.000000 
1 1 1    0   13   28 o  164.964   18.904   68.854   18.987   68.854   18.987   68.854   18.987  164.964   26.734  164.964   26.734 -0.000000 0.000000 
1 1 1    0   13   30 o  122.123   18.690   39.631   13.229   39.631   13.229   39.631   13.229  122.123   26.431  122.123   26.431 -0.000000 0.000000 
1 1 1    0   13   31 o  436.114   36.977  479.203  102.530  479.203  102.530  479.203  102.530  436.114   52.294  436.114   52.294 -0.000000 0.000000 
1 1 1    0   13   32 o  242.483   22.672  146.760   34.565  146.760   34.565  146.760   34.565  242.483   32.063  242.483   32.063 -0.000000 0.000000 
1 1 1    0   13   33 o  455.311   39.742  538.508  114.702  538.508  114.702  538.508  114.702  455.311   56.203  455.311   56.203 -0.000000 0.000000 
1 1 1    0   13   34 o   15.426   7.9558 -11.2501   4.8216 -11.2501   4.8216 -11.2501   4.8216   15.426   11.251   15.426   11.251 -0.000000 0.000000 
1 1 1    0   13   35 o   27.088   13.290  -7.0784   8.2965  -7.0784   8.2965  -7.0784   8.2965   27.088   18.795   27.088   18.795 -0.000000 0.000000 
1 1 1    0   13   36 o  162.031   19.115   67.242   18.758   67.242   18.758   67.242   18.758  162.031   27.033  162.031   27.033 -0.000000 0.000000 
1 1 1    0   13   37 o  103.955   20.377   30.863   12.110   30.863   12.110   30.863   12.110  103.955   28.818  103.955   28.818 -0.000000 0.000000 
1 1 1    0   13   38 o  274.679   16.876  183.474   30.106  183.474   30.106  183.474   30.106  274.679   23.867  274.679   23.867 -0.000000 0.000000 
1 1 1    0   13   39 o  273.151   16.243  181.403   28.847  181.403   28.847  181.403   28.847  273.151   22.971  273.151   22.971 -0.000000 0.000000 
1 1 1    0   13   40 o  254.522   15.931  157.822   26.316  157.822   26.316  157.822   26.316  254.522   22.530  254.522   22.530 -0.000000 0.000000 
1 1 1    0   13   41 o  233.168   14.671  132.247   22.198  132.247   22.198  132.247   22.198  233.168   20.749  233.168   20.749 -0.000000 0.000000 
1 1 1    0   13   42 o   88.753   14.224   21.261   7.2757   21.261   7.2757   21.261   7.2757   88.753   20.116   88.753   20.116 -0.000000 0.000000 
1 1 1    0   13   43 o  101.009   20.903   29.993   12.121   29.993   12.121   29.993   12.121  101.009   29.562  101.009   29.562 -0.000000 0.000000 
1 1 1    0   13   44 o   31.379   13.560   2.0918   5.3448   2.0918   5.3448   2.0918   5.3448   31.379   19.177   31.379   19.177 -0.000000 0.000000 
1 1 1    0   13   45 f  181.637   20.320   86.050   22.567   86.050   22.567   86.050   22.567  181.637   28.737  181.637   28.737 -0.000000 0.000000 
1 1 1    0   13   46 o   23.412   11.186  -2.3075   5.0647  -2.3075   5.0647  -2.3075   5.0647   23.412   15.819   23.412   15.819 -0.000000 0.000000 
1 1 1    0   13   47 o  101.289   20.719   30.256   12.035   30.256   12.035   30.256   12.035  101.289   29.301  101.289   29.301 -0.000000 0.000000 
1 1 1    0   13   50 o  197.154   21.729  102.672   26.265  102.672   26.265  102.672   26.265  197.154   30.730  197.154   30.730 -0.000000 0.000000 
1 1 1    0   13   51 o   81.819   17.166   19.767   8.0759   19.767   8.0759   19.767   8.0759   81.819   24.277   81.819   24.277 -0.000000 0.000000 
1 1 1    0   13   52 o   56.404   18.715   11.397   7.8256   11.397   7.8256   11.397   7.8256   56.404   26.467   56.404   26.467 -0.000000 0.000000 
1 1 1    0   13   53 o   30.429   14.814  -6.4298   9.8283  -6.4298   9.8283  -6.4298   9.8283   30.429   20.950   30.429   20.950 -0.000000 0.000000 
1 1 1    0   13   54 o  115.721   23.151   40.125   15.335   40.125   15.335   40.125   15.335  115.721   32.740  115.721   32.740 -0.000000 0.000000 
1 1 1    0   13   55 o  227.844   15.389  130.165   22.689  130.165   22.689  130.165   22.689  227.844   21.763  227.844   21.763 -0.000000 0.000000 
1 1 1    0   13   56 o   17.589   9.1135 -17.3632   6.8288 -17.3632   6.8288 -17.3632   6.8288   17.589   12.889   17.589   12.889 -0.000000 0.000000 
1 1 1    0   13   57 o   54.821   18.683   11.087   7.8522   11.087   7.8522   11.087   7.8522   54.821   26.422   54.821   26.422 -0.000000 0.000000 
1 1 1    0   13   58 o   45.161   19.199   6.1417   10.352   6.1417   10.352   6.1417   10.352   45.161   27.152   45.161   27.152 -0.000000 0.000000 
1 1 1    0   13   59 o   59.538   17.580   12.360   6.9227   12.360   6.9227   12.360   6.9227   59.538   24.862   59.538   24.862 -0.000000 0.000000 
1 1 1    0   13   60 o   97.125   13.530   25.409   7.7256   25.409   7.7256   25.409   7.7256   97.125   19.135   97.125   19.135 -0.000000 0.000000 
1 1 1    0   13   61 o  181.366   11.334   81.878   13.342   81.878   13.342   81.878   13.342  181.366   16.029  181.366   16.029 -0.000000 0.000000 
1 1 1    0   13   62 o   29.577   13.688  -0.1616   6.6314  -0.1616   6.6314  -0.1616   6.6314   29.577   19.358   29.577   19.358 -0.000000 0.000000 
1 1 1    0   13   63 o   44.950   17.766   7.8013   7.8944   7.8013   7.8944   7.8013   7.8944   44.950   25.124   44.950   25.124 -0.000000 0.000000 
1 1 1    0   13   64 o   69.682   23.437   20.296   12.316   20.296   12.316   20.296   12.316   69.682   33.146   69.682   33.146 -0.000000 0.000000 
1 1 1    0   13   65 o  104.865   16.422   31.929   9.9513   31.929   9.9513   31.929   9.9513  104.865   23.224  104.865   23.224 -0.000000 0.000000 
1 1 1    0   13   66 f   46.488   16.725   8.7900   6.4464   8.7900   6.4464   8.7900   6.4464   46.488   23.653   46.488   23.653 -0.000000 0.000000 
1 1 1    0   13   67 o   40.505   16.106   6.6945   6.5406   6.6945   6.5406   6.6945   6.5406   40.505   22.778   40.505   22.778 -0.000000 0.000000 
1 1 1    0   13   68 o   30.047   14.194  -0.4035   7.7441  -0.4035   7.7441  -0.4035   7.7441   30.047   20.074   30.047   20.074 -0.000000 0.000000 
1 1 1    0   13   69 o   34.193   14.797   4.1533   6.3846   4.1533   6.3846   4.1533   6.3846   34.193   20.926   34.193   20.926 -0.000000 0.000000 
1 1 1    0   14    0 o  1553.86  139.241  6614.10  1367.46  6614.10  1367.46  6614.10  1367.46  1553.86  196.917  1553.86  196.917 -0.000000 0.000000 
1 1 1    0   14    1 o   62.518   11.003   10.676   3.9339   10.676   3.9339   10.676   3.9339   62.518   15.560   62.518   15.560 -0.000000 0.000000 
1 1 1    0   14    2 o  234.756   11.219  130.758   17.225  130.758   17.225  130.758   17.225  234.756   15.866  234.756   15.866 -0.000000 0.000000 
1 1 1    0   14    3 o  524.008   23.052  653.723   79.128  653.723   79.128  653.723   79.128  524.008   32.600  524.008   32.600 -0.000000 0.000000 
1 1 1    0   14    4 o  996.560   39.182  2390.76  256.254  2390.76  256.254  2390.76  256.254  996.560   55.412  996.560   55.412 -0.000000 0.000000 
1 1 1    0   14    5 o  1011.14   47.239  2492.05  312.531  2492.05  312.531  2492.05  312.531  1011.14   66.806  1011.14   66.806 -0.000000 0.000000 
1 1 1    0   14    6 o  764.995   42.145  1424.54  210.113  1424.54  210.113  1424.54  210.113  764.995   59.602  764.995   59.602 -0.000000 0.000000 
1 1 1    0   14    7 o  1077.69   95.855  3151.79  653.432  3151.79  653.432  3151.79  653.432  1077.69  135.559  1077.69  135.559 -0.000000 0.000000 
1 1 1    0   14    8 o  356.589   20.021  304.294   46.501  304.294   46.501  304.294   46.501  356.589   28.313  356.589   28.313 -0.000000 0.000000 
1 1 1    0   14   10 o  654.887   30.723  1028.08  131.639  1028.08  131.639  1028.08  131.639  654.887   43.449  654.887   43.449 -0.000000 0.000000 
1 1 1    0   14   11 o  913.277   49.754  2048.33  296.226  2048.33  296.226  2048.33  296.226  913.277   70.363  913.277   70.363 -0.000000 0.000000 
1 1 1    0   14   12 o  602.521   49.748  909.621  191.050  909.621  191.050  909.621  191.050  602.521   70.354  602.521   70.354 -0.000000 0.000000 
1 1 1    0   14   13 o  124.678   15.697   39.702   11.713   39.702   11.713   39.702   11.713  124.678   22.199  124.678   22.199 -0.000000 0.000000 
1 1 1    0   14   14 o  260.839   15.416  162.814   26.149  162.814   26.149  162.814   26.149  260.839   21.801  260.839   21.801 -0.000000 0.000000 
1 1 1    0   14   15 o  619.098   29.030  918.055  117.585  918.055  117.585  918.055  117.585  619.098   41.054  619.098   41.054 -0.000000 0.000000 
1 1 1    0   14   16 o  240.376   14.473  138.329   22.610  138.329   22.610  138.329   22.610  240.376   20.467  240.376   20.467 -0.000000 0.000000 
1 1 1    0   14   17 o  312.794   26.742  240.648   53.139  240.648   53.139  240.648   53.139  312.794   37.819  312.794   37.819 -0.000000 0.000000 
1 1 1    0   14   18 o  1157.25  107.083  3766.33  780.204  3766.33  780.204  3766.33  780.204  1157.25  151.438  1157.25  151.438 -0.000000 0.000000 
1 1 1    0   14   19 o  460.841   38.231  527.298  112.253  527.298  112.253  527.298  112.253  460.841   54.067  460.841   54.067 -0.000000 0.000000 
1 1 1    0   14   22 o  684.988   58.367  1215.02  254.079  1215.02  254.079  1215.02  254.079  684.988   82.543  684.988   82.543 -0.000000 0.000000 
1 1 1    0   14   23 o  502.216   42.032  634.476  134.374  634.476  134.374  634.476  134.374  502.216   59.442  502.216   59.442 -0.000000 0.000000 
1 1 1    0   14   24 o  475.641   39.976  568.574  120.989  568.574  120.989  568.574  120.989  475.641   56.534  475.641   56.534 -0.000000 0.000000 
1 1 1    0   14   25 f  162.129   18.622   66.504   18.375   66.504   18.375   66.504   18.375  162.129   26.335  162.129   26.335 -0.000000 0.000000 
1 1 1    0   14   26 o  272.086   24.336  183.370   41.858  183.370   41.858  183.370   41.858  272.086   34.417  272.086   34.417 -0.000000 0.000000 
1 1 1    0   14   30 o  461.680   39.404  542.896  115.591  542.896  115.591  542.896  115.591  461.680   55.726  461.680   55.726 -0.000000 0.000000 
1 1 1    0   14   31 o   68.936   15.588   14.131   6.2604   14.131   6.2604   14.131   6.2604   68.936   22.044   68.936   22.044 -0.000000 0.000000 
1 1 1    0   14   32 o  152.090   11.774   56.306   11.475   56.306   11.475   56.306   11.475  152.090   16.651  152.090   16.651 -0.000000 0.000000 
1 1 1    0   14   33 o  142.038   11.359   49.208   10.312   49.208   10.312   49.208   10.312  142.038   16.064  142.038   16.064 -0.000000 0.000000 
1 1 1    0   14   34 o  266.187   15.275  170.742   26.467  170.742   26.467  170.742   26.467  266.187   21.603  266.187   21.603 -0.000000 0.000000 
1 1 1    0   14   35 f  286.673   16.697  198.764   31.143  198.764   31.143  198.764   31.143  286.673   23.613  286.673   23.613 -0.000000 0.000000 
1 1 1    0   14   36 o  226.329   14.140  123.887   20.772  123.887   20.772  123.887   20.772  226.329   19.997  226.329   19.997 -0.000000 0.000000 
1 1 1    0   14   37 o  242.698   15.401  143.154   24.247  143.154   24.247  143.154   24.247  242.698   21.781  242.698   21.781 -0.000000 0.000000 
1 1 1    0   14   38 o  285.935   13.850  196.516   25.892  196.516   25.892  196.516   25.892  285.935   19.587  285.935   19.587 -0.000000 0.000000 
1 1 1    0   14   39 o  284.430   17.246  197.507   31.872  197.507   31.872  197.507   31.872  284.430   24.390  284.430   24.390 -0.000000 0.000000 
1 1 1    0   14   40 o   49.082   15.975   8.3494   5.6876   8.3494   5.6876   8.3494   5.6876   49.082   22.592   49.082   22.592 -0.000000 0.000000 
1 1 1    0   14   41 o   34.606   14.157   3.5544   5.2603   3.5544   5.2603   3.5544   5.2603   34.606   20.021   34.606   20.021 -0.000000 0.000000 
1 1 1    0   14   42 o  294.466   17.872  213.454   34.194  213.454   34.194  213.454   34.194  294.466   25.275  294.466   25.275 -0.000000 0.000000 
1 1 1    0   14   43 o   47.664   16.136   8.0057   5.8474   8.0057   5.8474   8.0057   5.8474   47.664   22.820   47.664   22.820 -0.000000 0.000000 
1 1 1    0   14   44 o  222.706   14.670  121.858   21.163  121.858   21.163  121.858   21.163  222.706   20.746  222.706   20.746 -0.000000 0.000000 
1 1 1    0   14   45 o   87.338   14.678   20.907   7.3543   20.907   7.3543   20.907   7.3543   87.338   20.758   87.338   20.758 -0.000000 0.000000 
1 1 1    0   14   46 o  138.704   19.886   51.934   16.141   51.934   16.141   51.934   16.141  138.704   28.124  138.704   28.124 -0.000000 0.000000 
1 1 1    0   14   47 o  183.578   20.826   88.925   23.318   88.925   23.318   88.925   23.318  183.578   29.452  183.578   29.452 -0.000000 0.000000 
1 1 1    0   14   49 o   32.291   15.429  -3.9647   9.6381  -3.9647   9.6381  -3.9647   9.6381   32.291   21.819   32.291   21.819 -0.000000 0.000000 
1 1 1    0   14   50 o  116.361   14.055   35.038   9.8625   35.038   9.8625   35.038   9.8625  116.361   19.877  116.361   19.877 -0.000000 0.000000 
1 1 1    0   14   51 o  183.796   13.119   83.385   15.565   83.385   15.565   83.385   15.565  183.796   18.554  183.796   18.554 -0.000000 0.000000 
1 1 1    0   14   52 o   29.963   13.839  -0.4307   6.7277  -0.4307   6.7277  -0.4307   6.7277   29.963   19.571   29.963   19.571 -0.000000 0.000000 
1 1 1    0   14   53 o   29.398   13.684  -0.9317   6.7694  -0.9317   6.7694  -0.9317   6.7694   29.398   19.353   29.398   19.353 -0.000000 0.000000 
1 1 1    0   14   54 o   25.197   12.255  -4.4228   6.6863  -4.4228   6.6863  -4.4228   6.6863   25.197   17.331   25.197   17.331 -0.000000 0.000000 
1 1 1    0   14   55 o   52.312   18.786   10.137   8.1242   10.137   8.1242   10.137   8.1242   52.312   26.567   52.312   26.567 -0.000000 0.000000 
1 1 1    0   14   56 o   72.242   18.774   17.144   8.2874   17.144   8.2874   17.144   8.2874   72.242   26.550   72.242   26.550 -0.000000 0.000000 
1 1 1    0   14   57 o   34.002   15.169   1.7930   7.2420   1.7930   7.2420   1.7930   7.2420   34.002   21.452   34.002   21.452 -0.000000 0.000000 
1 1 1    0   14   58 o   20.171   10.071  -6.1880   5.4050  -6.1880   5.4050  -6.1880   5.4050   20.171   14.242   20.171   14.242 -0.000000 0.000000 
1 1 1    0   14   59 f   30.385   13.619   1.2478   5.9126   1.2478   5.9126   1.2478   5.9126   30.385   19.260   30.385   19.260 -0.000000 0.000000 
1 1 1    0   14   60 o   20.279   10.305 -10.6293   6.6795 -10.6293   6.6795 -10.6293   6.6795   20.279   14.573   20.279   14.573 -0.000000 0.000000 
1 1 1    0   14   61 o   42.947   16.200   6.8787   6.2553   6.8787   6.2553   6.8787   6.2553   42.947   22.911   42.947   22.911 -0.000000 0.000000 
1 1 1    0   14   62 o   32.668   14.879   1.1773   7.4107   1.1773   7.4107   1.1773   7.4107   32.668   21.042   32.668   21.042 -0.000000 0.000000 
1 1 1    0   14   63 o   30.342   14.104  -0.0817   7.1560  -0.0817   7.1560  -0.0817   7.1560   30.342   19.947   30.342   19.947 -0.000000 0.000000 
1 1 1    0   14   64 o   27.699   13.959 -13.1367   11.274 -13.1367   11.274 -13.1367   11.274   27.699   19.741   27.699   19.741 -0.000000 0.000000 
1 1 1    0   14   65 o   24.608   12.282  -7.6283   8.0195  -7.6283   8.0195  -7.6283   8.0195   24.608   17.369   24.608   17.369 -0.000000 0.000000 
1 1 1    0   14   66 o   28.106   12.956   0.6169   5.8528   0.6169   5.8528   0.6169   5.8528   28.106   18.322   28.106   18.322 -0.000000 0.000000 
1 1 1    0   14   67 o   52.797   18.494   11.909   7.7753   11.909   7.7753   11.909   7.7753   52.797   26.154   52.797   26.154 -0.000000 0.000000 
1 1 1    0   14   68 o   28.416   12.996   1.2500   5.7331   1.2500   5.7331   1.2500   5.7331   28.416   18.379   28.416   18.379 -0.000000 0.000000 
1 1 1    0   15    1 o  491.679   27.044  580.635   86.661  580.635   86.661  580.635   86.661  491.679   38.246  491.679   38.246 -0.000000 0.000000 
1 1 1    0   15    2 f  489.068   26.784  574.297   85.382  574.297   85.382  574.297   85.382  489.068   37.878  489.068   37.878 -0.000000 0.000000 
1 1 1    0   15    3 o  325.950   14.938  252.130   31.871  252.130   31.871  252.130   31.871  325.950   21.126  325.950   21.126 -0.000000 0.000000 
1 1 1    0   15    4 o  244.357   14.664  142.922   23.290  142.922   23.290  142.922   23.290  244.357   20.738  244.357   20.738 -0.000000 0.000000 
1 1 1    0   15    5 o  358.248   15.850  304.438   37.192  304.438   37.192  304.438   37.192  358.248   22.415  358.248   22.415 -0.000000 0.000000 
1 1 1    0   15    6 o   30.217   11.374   3.0651   3.0772   3.0651   3.0772   3.0651   3.0772   30.217   16.085   30.217   16.085 -0.000000 0.000000 
1 1 1    0   15    7 o  256.836   15.129  157.808   25.272  157.808   25.272  157.808   25.272  256.836   21.396  256.836   21.396 -0.000000 0.000000 
1 1 1    0   15    8 o  165.264   11.129   65.649   11.903   65.649   11.903   65.649   11.903  165.264   15.739  165.264   15.739 -0.000000 0.000000 
1 1 1    0   15    9 o  479.273   25.546  550.706   79.865  550.706   79.865  550.706   79.865  479.273   36.128  479.273   36.128 -0.000000 0.000000 
1 1 1    0   15   10 o  132.752   10.082   42.645   8.5884   42.645   8.5884   42.645   8.5884  132.752   14.259  132.752   14.259 -0.000000 0.000000 
1 1 1    0   15   11 o  325.447   27.668  260.573   57.235  260.573   57.235  260.573   57.235  325.447   39.128  325.447   39.128 -0.000000 0.000000 
1 1 1    0   15   12 o  318.998   27.221  250.346   55.175  250.346   55.175  250.346   55.175  318.998   38.496  318.998   38.496 -0.000000 0.000000 
1 1 1    0   15   13 o  541.466   28.501  704.242  100.698  704.242  100.698  704.242  100.698  541.466   40.306  541.466   40.306 -0.000000 0.000000 
1 1 1    0   15   14 o  657.848   54.622  1093.07  228.920  1093.07  228.920  1093.07  228.920  657.848   77.247  657.848   77.247 -0.000000 0.000000 
1 1 1    0   15   15 o   66.201   16.972   13.642   6.8205   13.642   6.8205   13.642   6.8205   66.201   24.002   66.201   24.002 -0.000000 0.000000 
1 1 1    0   15   16 o  142.512   16.474   51.287   14.271   51.287   14.271   51.287   14.271  142.512   23.297  142.512   23.297 -0.000000 0.000000 
1 1 1    0   15   19 f  251.285   22.514  155.929   35.757  155.929   35.757  155.929   35.757  251.285   31.840  251.285   31.840 -0.000000 0.000000 
1 1 1    0   15   21 o  240.678   22.209  143.472   33.664  143.472   33.664  143.472   33.664  240.678   31.408  240.678   31.408 -0.000000 0.000000 
1 1 1    0   15   23 o   26.399   12.989  -7.3934   8.0748  -7.3934   8.0748  -7.3934   8.0748   26.399   18.369   26.399   18.369 -0.000000 0.000000 
1 1 1    0   15   24 o  105.938   19.858   31.347   12.013   31.347   12.013   31.347   12.013  105.938   28.083  105.938   28.083 -0.000000 0.000000 
1 1 1    0   15   27 o  152.118   18.369   59.003   16.851   59.003   16.851   59.003   16.851  152.118   25.977  152.118   25.977 -0.000000 0.000000 
1 1 1    0   15   28 o   35.137   15.186   2.4795   6.7055   2.4795   6.7055   2.4795   6.7055   35.137   21.476   35.137   21.476 -0.000000 0.000000 
1 1 1    0   15   29 o  138.610   11.398   46.919   10.074   46.919   10.074   46.919   10.074  138.610   16.120  138.610   16.120 -0.000000 0.000000 
1 1 1    0   15   30 o  115.299   12.649   33.428   8.9482   33.428   8.9482   33.428   8.9482  115.299   17.888  115.299   17.888 -0.000000 0.000000 
1 1 1    0   15   31 o  519.367   28.365  665.765   96.031  665.765   96.031  665.765   96.031  519.367   40.114  519.367   40.114 -0.000000 0.000000 
1 1 1    0   15   32 o   29.428   12.915   1.3888   5.0270   1.3888   5.0270   1.3888   5.0270   29.428   18.264   29.428   18.264 -0.000000 0.000000 
1 1 1    0   15   33 o   46.013   15.598   7.3500   5.4654   7.3500   5.4654   7.3500   5.4654   46.013   22.058   46.013   22.058 -0.000000 0.000000 
1 1 1    0   15   34 o   32.797   13.679   2.8931   5.0705   2.8931   5.0705   2.8931   5.0705   32.797   19.346   32.797   19.346 -0.000000 0.000000 
1 1 1    0   15   35 o  233.761   14.693  132.450   22.289  132.450   22.289  132.450   22.289  233.761   20.779  233.761   20.779 -0.000000 0.000000 
1 1 1    0   15   36 o   15.043   7.7285  -9.1990   4.3048  -9.1990   4.3048  -9.1990   4.3048   15.043   10.930   15.043   10.930 -0.000000 0.000000 
1 1 1    0   15   37 o  165.252   12.318   66.636   13.112   66.636   13.112   66.636   13.112  165.252   17.420  165.252   17.420 -0.000000 0.000000 
1 1 1    0   15   38 o  273.148   16.744  182.121   29.706  182.121   29.706  182.121   29.706  273.148   23.680  273.148   23.680 -0.000000 0.000000 
1 1 1    0   15   39 o   72.970   15.090   15.433   6.3208   15.433   6.3208   15.433   6.3208   72.970   21.341   72.970   21.341 -0.000000 0.000000 
1 1 1    0   15   40 o  157.684   11.871   60.789   12.019   60.789   12.019   60.789   12.019  157.684   16.788  157.684   16.788 -0.000000 0.000000 
1 1 1    0   15   41 o  123.775   19.509   41.812   13.943   41.812   13.943   41.812   13.943  123.775   27.590  123.775   27.590 -0.000000 0.000000 
1 1 1    0   15   42 o  150.629   19.169   59.816   17.247   59.816   17.247   59.816   17.247  150.629   27.110  150.629   27.110 -0.000000 0.000000 
1 1 1    0   15   43 o  107.410   12.821   29.608   8.3232   29.608   8.3232   29.608   8.3232  107.410   18.132  107.410   18.132 -0.000000 0.000000 
1 1 1    0   15   44 o  113.596   13.302   33.058   9.1632   33.058   9.1632   33.058   9.1632  113.596   18.811  113.596   18.811 -0.000000 0.000000 
1 1 1    0   15   45 o   72.386   22.671   18.577   11.435   18.577   11.435   18.577   11.435   72.386   32.062   72.386   32.062 -0.000000 0.000000 
1 1 1    0   15   46 o   46.829   19.002   7.1527   9.3563   7.1527   9.3563   7.1527   9.3563   46.829   26.873   46.829   26.873 -0.000000 0.000000 
1 1 1    0   15   49 o   62.739   18.286   13.329   7.5122   13.329   7.5122   13.329   7.5122   62.739   25.860   62.739   25.860 -0.000000 0.000000 
1 1 1    0   15   50 o   67.742   18.454   15.152   7.8301   15.152   7.8301   15.152   7.8301   67.742   26.098   67.742   26.098 -0.000000 0.000000 
1 1 1    0   15   51 o  108.654   14.933   31.385   9.5607   31.385   9.5607   31.385   9.5607  108.654   21.118  108.654   21.118 -0.000000 0.000000 
1 1 1    0   15   52 o  194.523   14.170   94.179   17.775   94.179   17.775   94.179   17.775  194.523   20.039  194.523   20.039 -0.000000 0.000000 
1 1 1    0   15   53 o   42.672   16.985   6.2071   7.2837   6.2071   7.2837   6.2071   7.2837   42.672   24.021   42.672   24.021 -0.000000 0.000000 
1 1 1    0   15   54 o   86.278   18.372   22.495   9.1334   22.495   9.1334   22.495   9.1334   86.278   25.982   86.278   25.982 -0.000000 0.000000 
1 1 1    0   15   55 o   37.346   17.653  -2.5642   12.010  -2.5642   12.010  -2.5642   12.010   37.346   24.966   37.346   24.966 -0.000000 0.000000 
1 1 1    0   15   56 o   67.713   23.525   17.872   12.539   17.872   12.539   17.872   12.539   67.713   33.270   67.713   33.270 -0.000000 0.000000 
1 1 1    0   15   57 o   35.608   15.736   2.4735   7.5940   2.4735   7.5940   2.4735   7.5940   35.608   22.254   35.608   22.254 -0.000000 0.000000 
1 1 1    0   15   58 o   25.075   12.590 -10.8319   8.8675 -10.8319   8.8675 -10.8319   8.8675   25.075   17.805   25.075   17.805 -0.000000 0.000000 
1 1 1    0   15   59 o   72.457   24.989   21.661   14.105   21.661   14.105   21.661   14.105   72.457   35.340   72.457   35.340 -0.000000 0.000000 
1 1 1    0   15   60 o   34.261   14.359   3.5609   5.6347   3.5609   5.6347   3.5609   5.6347   34.261   20.307   34.261   20.307 -0.000000 0.000000 
1 1 1    0   15   61 o   47.115   16.241   8.4067   5.9565   8.4067   5.9565   8.4067   5.9565   47.115   22.968   47.115   22.968 -0.000000 0.000000 
1 1 1    0   15   62 o   54.993   18.027   11.627   7.2477   11.627   7.2477   11.627   7.2477   54.993   25.494   54.993   25.494 -0.000000 0.000000 
1 1 1    0   15   63 o   18.125   9.5035 -33.3908   9.6501 -33.3908   9.6501 -33.3908   9.6501   18.125   13.440   18.125   13.440 -0.000000 0.000000 
1 1 1    0   15   64 o   66.468   18.868   16.429   8.0596   16.429   8.0596   16.429   8.0596   66.468   26.683   66.468   26.683 -0.000000 0.000000 
1 1 1    0   15   65 o   23.252   11.218  -2.2554   5.3530  -2.2554   5.3530  -2.2554   5.3530   23.252   15.864   23.252   15.864 -0.000000 0.000000 
1 1 1    0   15   66 o   51.819   16.577   10.532   6.1128   10.532   6.1128   10.532   6.1128   51.819   23.443   51.819   23.443 -0.000000 0.000000 
1 1 1    0   15   67 o   44.994   16.287   8.5759   6.1345   8.5759   6.1345   8.5759   6.1345   44.994   23.033   44.994   23.033 -0.000000 0.000000 
1 1 1    0   16    0 o  1217.53  103.215  3857.43  798.986  3857.43  798.986  3857.43  798.986  1217.53  145.967  1217.53  145.967 -0.000000 0.000000 
1 1 1    0   16    1 o   77.041   10.929   15.450   4.9351   15.450   4.9351   15.450   4.9351   77.041   15.456   77.041   15.456 -0.000000 0.000000 
1 1 1    0   16    2 o  918.062   41.498  2041.68  249.442  2041.68  249.442  2041.68  249.442  918.062   58.687  918.062   58.687 -0.000000 0.000000 
1 1 1    0   16    3 o  1792.24   81.851  8313.25  960.297  8313.25  960.297  8313.25  960.297  1792.24  115.756  1792.24  115.756 -0.000000 0.000000 
1 1 1    0   16    4 o  283.088   13.090  190.112   24.251  190.112   24.251  190.112   24.251  283.088   18.512  283.088   18.512 -0.000000 0.000000 
1 1 1    0   16    5 o  288.009   13.046  196.676   24.601  196.676   24.601  196.676   24.601  288.009   18.450  288.009   18.450 -0.000000 0.000000 
1 1 1    0   16    6 o  207.577   12.829  103.207   17.292  103.207   17.292  103.207   17.292  207.577   18.143  207.577   18.143 -0.000000 0.000000 
1 1 1    0   16    7 o  1658.25  101.442  7488.68  1092.66  7488.68  1092.66  7488.68  1092.66  1658.25  143.461  1658.25  143.461 -0.000000 0.000000 
1 1 1    0   16    8 o   63.988   12.345   11.482   4.5137   11.482   4.5137   11.482   4.5137   63.988   17.459   63.988   17.459 -0.000000 0.000000 
1 1 1    0   16    9 o  391.549   21.875  367.343   55.797  367.343   55.797  367.343   55.797  391.549   30.936  391.549   30.936 -0.000000 0.000000 
1 1 1    0   16   10 o  141.325   10.301   48.213   9.3878   48.213   9.3878   48.213   9.3878  141.325   14.568  141.325   14.568 -0.000000 0.000000 
1 1 1    0   16   11 o  968.922   85.555  2527.81  524.792  2527.81  524.792  2527.81  524.792  968.922  120.993  968.922  120.993 -0.000000 0.000000 
1 1 1    0   16   12 o  240.128   14.513  138.150   22.646  138.150   22.646  138.150   22.646  240.128   20.524  240.128   20.524 -0.000000 0.000000 
1 1 1    0   16   13 o  250.783   22.453  155.183   35.591  155.183   35.591  155.183   35.591  250.783   31.753  250.783   31.753 -0.000000 0.000000 
1 1 1    0   16   14 o  521.428   43.558  684.138  144.606  684.138  144.606  684.138  144.606  521.428   61.600  521.428   61.600 -0.000000 0.000000 
1 1 1    0   16   18 o  101.122   18.635   28.394   10.762   28.394   10.762   28.394   10.762  101.122   26.354  101.122   26.354 -0.000000 0.000000 
1 1 1    0   16   19 o  423.548   35.641  448.161   96.044  448.161   96.044  448.161   96.044  423.548   50.404  423.548   50.404 -0.000000 0.000000 
1 1 1    0   16   20 o  224.179   21.275  124.751   29.928  124.751   29.928  124.751   29.928  224.179   30.088  224.179   30.088 -0.000000 0.000000 
1 1 1    0   16   24 o  255.173   23.190  161.615   37.337  161.615   37.337  161.615   37.337  255.173   32.795  255.173   32.795 -0.000000 0.000000 
1 1 1    0   16   25 o  264.657   23.749  173.832   39.719  173.832   39.719  173.832   39.719  264.657   33.587  264.657   33.587 -0.000000 0.000000 
1 1 1    0   16   27 o  729.896   42.280  1364.08  200.816  1364.08  200.816  1364.08  200.816  729.896   59.793  729.896   59.793 -0.000000 0.000000 
1 1 1    0   16   28 o  207.456   13.725  104.050   18.441  104.050   18.441  104.050   18.441  207.456   19.410  207.456   19.410 -0.000000 0.000000 
1 1 1    0   16   29 o   78.509   15.709   17.588   7.0596   17.588   7.0596   17.588   7.0596   78.509   22.216   78.509   22.216 -0.000000 0.000000 
1 1 1    0   16   30 o   49.246   15.849   8.3145   5.5911   8.3145   5.5911   8.3145   5.5911   49.246   22.413   49.246   22.413 -0.000000 0.000000 
1 1 1    0   16   31 o  293.406   17.601  208.678   33.568  208.678   33.568  208.678   33.568  293.406   24.892  293.406   24.892 -0.000000 0.000000 
1 1 1    0   16   32 o  245.647   23.000  152.127   35.517  152.127   35.517  152.127   35.517  245.647   32.527  245.647   32.527 -0.000000 0.000000 
1 1 1    0   16   33 o  246.916   15.239  147.756   24.434  147.756   24.434  147.756   24.434  246.916   21.552  246.916   21.552 -0.000000 0.000000 
1 1 1    0   16   34 o  302.023   17.543  222.109   34.475  222.109   34.475  222.109   34.475  302.023   24.810  302.023   24.810 -0.000000 0.000000 
1 1 1    0   16   35 o  342.665   18.682  286.525   41.732  286.525   41.732  286.525   41.732  342.665   26.420  342.665   26.420 -0.000000 0.000000 
1 1 1    0   16   36 o   63.652   15.543   12.478   5.8909   12.478   5.8909   12.478   5.8909   63.652   21.981   63.652   21.981 -0.000000 0.000000 
1 1 1    0   16   37 o   96.399   20.249   27.327   11.226   27.327   11.226   27.327   11.226   96.399   28.636   96.399   28.636 -0.000000 0.000000 
1 1 1    0   16   38 o  291.661   27.116  221.078   49.763  221.078   49.763  221.078   49.763  291.661   38.347  291.661   38.347 -0.000000 0.000000 
1 1 1    0   16   39 o  122.008   11.712   37.093   8.9534   37.093   8.9534   37.093   8.9534  122.008   16.563  122.008   16.563 -0.000000 0.000000 
1 1 1    0   16   40 o  163.211   11.800   65.118   12.424   65.118   12.424   65.118   12.424  163.211   16.688  163.211   16.688 -0.000000 0.000000 
1 1 1    0   16   41 o  187.687   19.897   91.211   23.046   91.211   23.046   91.211   23.046  187.687   28.139  187.687   28.139 -0.000000 0.000000 
1 1 1    0   16   42 o  108.587   13.801   30.585   8.9533   30.585   8.9533   30.585   8.9533  108.587   19.518  108.587   19.518 -0.000000 0.000000 
1 1 1    0   16   43 o   41.769   18.421   3.0955   10.354   3.0955   10.354   3.0955   10.354   41.769   26.051   41.769   26.051 -0.000000 0.000000 
1 1 1    0   16   44 o  204.951   22.121  110.671   27.892  110.671   27.892  110.671   27.892  204.951   31.283  204.951   31.283 -0.000000 0.000000 
1 1 1    0   16   45 o   98.695   22.088   29.979   12.672   29.979   12.672   29.979   12.672   98.695   31.237   98.695   31.237 -0.000000 0.000000 
1 1 1    0   16   47 o  132.238   21.233   48.729   16.179   48.729   16.179   48.729   16.179  132.238   30.028  132.238   30.028 -0.000000 0.000000 
1 1 1    0   16   48 o   53.308   18.079   10.170   7.3437   10.170   7.3437   10.170   7.3437   53.308   25.568   53.308   25.568 -0.000000 0.000000 
1 1 1    0   16   49 o  217.420   23.109  126.639   30.994  126.639   30.994  126.639   30.994  217.420   32.681  217.420   32.681 -0.000000 0.000000 
1 1 1    0   16   50 o  153.329   20.871   63.981   18.888   63.981   18.888   63.981   18.888  153.329   29.516  153.329   29.516 -0.000000 0.000000 
1 1 1    0   16   51 f   34.374   15.285   1.7806   7.2847   1.7806   7.2847   1.7806   7.2847   34.374   21.616   34.374   21.616 -0.000000 0.000000 
1 1 1    0   16   52 o   43.252   17.076   6.4726   7.2844   6.4726   7.2844   6.4726   7.2844   43.252   24.149   43.252   24.149 -0.000000 0.000000 
1 1 1    0   16   53 o  202.675   14.567  103.186   19.051  103.186   19.051  103.186   19.051  202.675   20.601  202.675   20.601 -0.000000 0.000000 
1 1 1    0   16   54 o  152.326   13.694   58.972   13.179   58.972   13.179   58.972   13.179  152.326   19.366  152.326   19.366 -0.000000 0.000000 
1 1 1    0   16   55 o  148.015   13.628   55.929   12.707   55.929   12.707   55.929   12.707  148.015   19.273  148.015   19.273 -0.000000 0.000000 
1 1 1    0   16   56 o  139.209   14.137   50.152   12.229   50.152   12.229   50.152   12.229  139.209   19.993  139.209   19.993 -0.000000 0.000000 
1 1 1    0   16   57 o   46.528   17.861   8.0620   7.7300   8.0620   7.7300   8.0620   7.7300   46.528   25.260   46.528   25.260 -0.000000 0.000000 
1 1 1    0   16   58 o   93.806   17.263   25.862   9.2485   25.862   9.2485   25.862   9.2485   93.806   24.413   93.806   24.413 -0.000000 0.000000 
1 1 1    0   16   59 o   40.218   16.718   5.3345   7.5272   5.3345   7.5272   5.3345   7.5272   40.218   23.642   40.218   23.642 -0.000000 0.000000 
1 1 1    0   16   60 o  100.237   16.574   28.989   9.5443   28.989   9.5443   28.989   9.5443  100.237   23.440  100.237   23.440 -0.000000 0.000000 
1 1 1    0   16   61 o   46.327   19.322   8.1751   10.115   8.1751   10.115   8.1751   10.115   46.327   27.325   46.327   27.325 -0.000000 0.000000 
1 1 1    0   16   62 o  122.612   13.642   40.265   10.237   40.265   10.237   40.265   10.237  122.612   19.293  122.612   19.293 -0.000000 0.000000 
1 1 1    0   16   63 o   44.559   17.671   8.1875   7.8440   8.1875   7.8440   8.1875   7.8440   44.559   24.990   44.559   24.990 -0.000000 0.000000 
1 1 1    0   16   64 o   53.968   21.512   13.896   11.705   13.896   11.705   13.896   11.705   53.968   30.423   53.968   30.423 -0.000000 0.000000 
1 1 1    0   16   65 o   91.212   13.471   23.767   7.1573   23.767   7.1573   23.767   7.1573   91.212   19.051   91.212   19.051 -0.000000 0.000000 
1 1 1    0   16   66 o   30.745   13.644   2.5231   5.7729   2.5231   5.7729   2.5231   5.7729   30.745   19.296   30.745   19.296 -0.000000 0.000000 
1 1 1    0   17    1 o  1111.04   61.637  3112.48  446.211  3112.48  446.211  3112.48  446.211  1111.04   87.168  1111.04   87.168 -0.000000 0.000000 
1 1 1    0   17    2 o  695.549   37.220  1175.22  168.850  1175.22  168.850  1175.22  168.850  695.549   52.637  695.549   52.637 -0.000000 0.000000 
1 1 1    0   17    3 o   73.750   11.250   14.368   4.8111   14.368   4.8111   14.368   4.8111   73.750   15.911   73.750   15.911 -0.000000 0.000000 
1 1 1    0   17    4 o  135.864   10.599   44.768   9.2217   44.768   9.2217   44.768   9.2217  135.864   14.989  135.864   14.989 -0.000000 0.000000 
1 1 1    0   17    5 o  632.527   34.010  970.133  140.291  970.133  140.291  970.133  140.291  632.527   48.097  632.527   48.097 -0.000000 0.000000 
1 1 1    0   17    6 o  619.820   29.411  924.152  119.241  924.152  119.241  924.152  119.241  619.820   41.594  619.820   41.594 -0.000000 0.000000 
1 1 1    0   17    7 o  279.715   16.414  187.515   29.864  187.515   29.864  187.515   29.864  279.715   23.213  279.715   23.213 -0.000000 0.000000 
1 1 1    0   17    8 o   34.500   12.664   4.0619   3.7427   4.0619   3.7427   4.0619   3.7427   34.500   17.910   34.500   17.910 -0.000000 0.000000 
1 1 1    0   17    9 o  339.844   19.383  277.134   42.885  277.134   42.885  277.134   42.885  339.844   27.411  339.844   27.411 -0.000000 0.000000 
1 1 1    0   17   10 o  499.775   41.756  627.189  132.866  627.189  132.866  627.189  132.866  499.775   59.052  499.775   59.052 -0.000000 0.000000 
1 1 1    0   17   11 o  630.296   53.252  1018.06  213.468  1018.06  213.468  1018.06  213.468  630.296   75.309  630.296   75.309 -0.000000 0.000000 
1 1 1    0   17   12 o  906.955   82.158  2263.71  470.349  2263.71  470.349  2263.71  470.349  906.955  116.189  906.955  116.189 -0.000000 0.000000 
1 1 1    0   17   14 o  493.797   41.401  613.756  130.117  613.756  130.117  613.756  130.117  493.797   58.550  493.797   58.550 -0.000000 0.000000 
1 1 1    0   17   15 o  287.210   25.095  203.996   45.683  203.996   45.683  203.996   45.683  287.210   35.490  287.210   35.490 -0.000000 0.000000 
1 1 1    0   17   16 o   34.931   14.277   3.5297   5.3419   3.5297   5.3419   3.5297   5.3419   34.931   20.191   34.931   20.191 -0.000000 0.000000 
1 1 1    0   17   17 o  205.612   19.858  105.000   25.560  105.000   25.560  105.000   25.560  205.612   28.084  205.612   28.084 -0.000000 0.000000 
1 1 1    0   17   21 o  302.359   26.350  227.003   50.511  227.003   50.511  227.003   50.511  302.359   37.264  302.359   37.264 -0.000000 0.000000 
1 1 1    0   17   22 o  181.944   18.437   82.633   20.851   82.633   20.851   82.633   20.851  181.944   26.074  181.944   26.074 -0.000000 0.000000 
1 1 1    0   17   23 o  247.273   22.618  152.012   35.261  152.012   35.261  152.012   35.261  247.273   31.987  247.273   31.987 -0.000000 0.000000 
1 1 1    0   17   24 o  464.119   26.172  526.396   79.107  526.396   79.107  526.396   79.107  464.119   37.012  464.119   37.012 -0.000000 0.000000 
1 1 1    0   17   25 o  323.190   28.389  263.519   58.121  263.519   58.121  263.519   58.121  323.190   40.148  323.190   40.148 -0.000000 0.000000 
1 1 1    0   17   26 o  739.674   42.556  1412.05  204.877  1412.05  204.877  1412.05  204.877  739.674   60.183  739.674   60.183 -0.000000 0.000000 
1 1 1    0   17   27 o  464.524   25.067  528.241   75.930  528.241   75.930  528.241   75.930  464.524   35.450  464.524   35.450 -0.000000 0.000000 
1 1 1    0   17   28 o  277.579   25.001  193.868   43.837  193.868   43.837  193.868   43.837  277.579   35.357  277.579   35.357 -0.000000 0.000000 
1 1 1    0   17   29 o   70.040   15.354   14.439   6.2242   14.439   6.2242   14.439   6.2242   70.040   21.714   70.040   21.714 -0.000000 0.000000 
1 1 1    0   17   30 o  158.317   11.678   60.899   11.915   60.899   11.915   60.899   11.915  158.317   16.514  158.317   16.514 -0.000000 0.000000 
1 1 1    0   17   31 o  135.092   11.039   44.641   9.5139   44.641   9.5139   44.641   9.5139  135.092   15.612  135.092   15.612 -0.000000 0.000000 
1 1 1    0   17   32 o  320.760   17.618  250.053   36.832  250.053   36.832  250.053   36.832  320.760   24.916  320.760   24.916 -0.000000 0.000000 
1 1 1    0   17   33 o  171.602   12.013   71.554   13.319   71.554   13.319   71.554   13.319  171.602   16.990  171.602   16.990 -0.000000 0.000000 
1 1 1    0   17   34 o  333.633   30.245  289.916   63.690  289.916   63.690  289.916   63.690  333.633   42.773  333.633   42.773 -0.000000 0.000000 
1 1 1    0   17   35 o  106.817   19.814   32.250   12.086   32.250   12.086   32.250   12.086  106.817   28.021  106.817   28.021 -0.000000 0.000000 
1 1 1    0   17   36 o  284.765   17.326  198.666   32.055  198.666   32.055  198.666   32.055  284.765   24.503  284.765   24.503 -0.000000 0.000000 
1 1 1    0   17   37 o  461.580   27.322  543.370   82.007  543.370   82.007  543.370   82.007  461.580   38.639  461.580   38.639 -0.000000 0.000000 
1 1 1    0   17   38 o  100.507   12.369   25.971   7.4710   25.971   7.4710   25.971   7.4710  100.507   17.493  100.507   17.493 -0.000000 0.000000 
1 1 1    0   17   39 o   35.421   14.594   3.6911   5.6517   3.6911   5.6517   3.6911   5.6517   35.421   20.639   35.421   20.639 -0.000000 0.000000 
1 1 1    0   17   40 o   26.068   13.081 -12.2355   9.5241 -12.2355   9.5241 -12.2355   9.5241   26.068   18.500   26.068   18.500 -0.000000 0.000000 
1 1 1    0   17   41 o  119.820   22.539   41.400   15.422   41.400   15.422   41.400   15.422  119.820   31.875  119.820   31.875 -0.000000 0.000000 
1 1 1    0   17   42 o  239.470   15.201  141.188   23.613  141.188   23.613  141.188   23.613  239.470   21.497  239.470   21.497 -0.000000 0.000000 
1 1 1    0   17   43 o   49.661   20.811   7.3993   11.834   7.3993   11.834   7.3993   11.834   49.661   29.431   49.661   29.431 -0.000000 0.000000 
1 1 1    0   17   44 o   31.660   15.317  -5.8144   10.135  -5.8144   10.135  -5.8144   10.135   31.660   21.661   31.660   21.661 -0.000000 0.000000 
1 1 1    0   17   46 o  145.703   20.646   57.630   17.636   57.630   17.636   57.630   17.636  145.703   29.198  145.703   29.198 -0.000000 0.000000 
1 1 1    0   17   47 o   22.291   11.178  -8.7875   6.9085  -8.7875   6.9085  -8.7875   6.9085   22.291   15.808   22.291   15.808 -0.000000 0.000000 
1 1 1    0   17   48 o   38.232   16.340   3.7683   7.5785   3.7683   7.5785   3.7683   7.5785   38.232   23.109   38.232   23.109 -0.000000 0.000000 
1 1 1    0   17   49 o  127.803   14.021   41.928   10.995   41.928   10.995   41.928   10.995  127.803   19.829  127.803   19.829 -0.000000 0.000000 
1 1 1    0   17   50 o  113.438   14.928   34.041   10.054   34.041   10.054   34.041   10.054  113.438   21.112  113.438   21.112 -0.000000 0.000000 
1 1 1    0   17   51 o  134.947   13.365   46.405   11.251   46.405   11.251   46.405   11.251  134.947   18.902  134.947   18.902 -0.000000 0.000000 
1 1 1    0   17   52 o   22.297   11.153  -7.9863   6.7322  -7.9863   6.7322  -7.9863   6.7322   22.297   15.772   22.297   15.772 -0.000000 0.000000 
1 1 1    0   17   53 o  160.500   13.505   65.133   13.791   65.133   13.791   65.133   13.791  160.500   19.099  160.500   19.099 -0.000000 0.000000 
1 1 1    0   17   54 o   56.252   18.747   11.675   7.8613   11.675   7.8613   11.675   7.8613   56.252   26.512   56.252   26.512 -0.000000 0.000000 
1 1 1    0   17   55 o   91.760   18.077   25.030   9.4843   25.030   9.4843   25.030   9.4843   91.760   25.564   91.760   25.564 -0.000000 0.000000 
1 1 1    0   17   56 o   62.051   19.131   13.972   8.1476   13.972   8.1476   13.972   8.1476   62.051   27.056   62.051   27.056 -0.000000 0.000000 
1 1 1    0   17   57 o  125.535   14.264   41.727   10.919   41.727   10.919   41.727   10.919  125.535   20.173  125.535   20.173 -0.000000 0.000000 
1 1 1    0   17   58 o  122.286   14.927   40.137   10.986   40.137   10.986   40.137   10.986  122.286   21.110  122.286   21.110 -0.000000 0.000000 
1 1 1    0   17   59 o  125.447   23.980   50.574   17.185   50.574   17.185   50.574   17.185  125.447   33.913  125.447   33.913 -0.000000 0.000000 
1 1 1    0   17   60 o   33.719   16.111  -2.3829   10.511  -2.3829   10.511  -2.3829   10.511   33.719   22.785   33.719   22.785 -0.000000 0.000000 
1 1 1    0   17   61 o   30.325   14.875  -6.3071   10.378  -6.3071   10.378  -6.3071   10.378   30.325   21.036   30.325   21.036 -0.000000 0.000000 
1 1 1    0   17   63 o   49.688   20.737   11.328   11.664   11.328   11.664   11.328   11.664   49.688   29.326   49.688   29.326 -0.000000 0.000000 
1 1 1    0   17   64 o   33.320   14.653   3.2433   6.5060   3.2433   6.5060   3.2433   6.5060   33.320   20.723   33.320   20.723 -0.000000 0.000000 
1 1 1    0   17   65 o   45.312   16.366   8.6636   6.1866   8.6636   6.1866   8.6636   6.1866   45.312   23.145   45.312   23.145 -0.000000 0.000000 
1 1 1    0   18    4 o   50.512   16.628   8.7528   6.1689   8.7528   6.1689   8.7528   6.1689   50.512   23.515   50.512   23.515 -0.000000 0.000000 
1 1 1    0   18    5 o  389.397   21.965  364.590   55.704  364.590   55.704  364.590   55.704  389.397   31.064  389.397   31.064 -0.000000 0.000000 
1 1 1    0   18    6 o  196.043   12.616   92.318   16.035   92.318   16.035   92.318   16.035  196.043   17.842  196.043   17.842 -0.000000 0.000000 
1 1 1    0   18    7 o  351.922   19.772  297.281   45.322  297.281   45.322  297.281   45.322  351.922   27.962  351.922   27.962 -0.000000 0.000000 
1 1 1    0   18   16 o  484.563   41.012  595.492  126.370  595.492  126.370  595.492  126.370  484.563   57.999  484.563   57.999 -0.000000 0.000000 
1 1 1    0   18   17 o  613.472   52.931  982.024  206.079  982.024  206.079  982.024  206.079  613.472   74.855  613.472   74.855 -0.000000 0.000000 
1 1 1    0   18   18 o  399.701   33.880  400.077   86.100  400.077   86.100  400.077   86.100  399.701   47.914  399.701   47.914 -0.000000 0.000000 
1 1 1    0   18   20 o  132.178   16.717   44.846   13.213   44.846   13.213   44.846   13.213  132.178   23.641  132.178   23.641 -0.000000 0.000000 
1 1 1    0   18   21 o  239.766   14.676  138.465   22.856  138.465   22.856  138.465   22.856  239.766   20.755  239.766   20.755 -0.000000 0.000000 
1 1 1    0   18   22 o  605.158   55.459  1008.22  211.544  1008.22  211.544  1008.22  211.544  605.158   78.431  605.158   78.431 -0.000000 0.000000 
1 1 1    0   18   23 o  230.544   13.460  127.767   20.187  127.767   20.187  127.767   20.187  230.544   19.035  230.544   19.035 -0.000000 0.000000 
1 1 1    0   18   24 o   84.206   13.736   19.102   6.6535   19.102   6.6535   19.102   6.6535   84.206   19.425   84.206   19.425 -0.000000 0.000000 
1 1 1    0   18   25 o   70.511   15.784   14.747   6.4700   14.747   6.4700   14.747   6.4700   70.511   22.323   70.511   22.323 -0.000000 0.000000 
1 1 1    0   18   26 o  488.559   27.721  590.200   88.186  590.200   88.186  590.200   88.186  488.559   39.203  488.559   39.203 -0.000000 0.000000 
1 1 1    0   18   27 o  397.471   20.750  383.725   53.828  383.725   53.828  383.725   53.828  397.471   29.345  397.471   29.345 -0.000000 0.000000 
1 1 1    0   18   29 o  319.271   28.552  261.241   57.628  261.241   57.628  261.241   57.628  319.271   40.379  319.271   40.379 -0.000000 0.000000 
1 1 1    0   18   30 o  272.961   25.008  190.067   43.029  190.067   43.029  190.067   43.029  272.961   35.367  272.961   35.367 -0.000000 0.000000 
1 1 1    0   18   31 o  168.628   11.532   68.954   12.576   68.954   12.576   68.954   12.576  168.628   16.308  168.628   16.308 -0.000000 0.000000 
1 1 1    0   18   32 o  452.568   42.194  564.570  120.108  564.570  120.108  564.570  120.108  452.568   59.671  452.568   59.671 -0.000000 0.000000 
1 1 1    0   18   33 o   46.809   15.498   7.6207   5.3631   7.6207   5.3631   7.6207   5.3631   46.809   21.917   46.809   21.917 -0.000000 0.000000 
1 1 1    0   18   34 o   32.284   13.668   2.6101   5.2031   2.6101   5.2031   2.6101   5.2031   32.284   19.330   32.284   19.330 -0.000000 0.000000 
1 1 1    0   18   35 o  184.800   13.100   83.448   15.632   83.448   15.632   83.448   15.632  184.800   18.527  184.800   18.527 -0.000000 0.000000 
1 1 1    0   18   36 o  181.597   12.329   80.377   14.484   80.377   14.484   80.377   14.484  181.597   17.436  181.597   17.436 -0.000000 0.000000 
1 1 1    0   18   37 o   50.034   15.856   8.6562   5.5912   8.6562   5.5912   8.6562   5.5912   50.034   22.424   50.034   22.424 -0.000000 0.000000 
1 1 1    0   18   38 o   94.307   13.197   23.418   7.3111   23.418   7.3111   23.418   7.3111   94.307   18.663   94.307   18.663 -0.000000 0.000000 
1 1 1    0   18   39 o  169.012   19.927   74.669   20.399   74.669   20.399   74.669   20.399  169.012   28.181  169.012   28.181 -0.000000 0.000000 
1 1 1    0   18   40 o  282.515   26.987  212.001   47.802  212.001   47.802  212.001   47.802  282.515   38.165  282.515   38.165 -0.000000 0.000000 
1 1 1    0   18   41 o  123.050   19.093   41.510   13.592   41.510   13.592   41.510   13.592  123.050   27.001  123.050   27.001 -0.000000 0.000000 
1 1 1    0   18   42 o   32.631   15.178  -1.0473   8.3042  -1.0473   8.3042  -1.0473   8.3042   32.631   21.465   32.631   21.465 -0.000000 0.000000 
1 1 1    0   18   44 o  319.143   31.301  282.348   62.397  282.348   62.397  282.348   62.397  319.143   44.267  319.143   44.267 -0.000000 0.000000 
1 1 1    0   18   46 o   68.334   18.968   15.586   8.2098   15.586   8.2098   15.586   8.2098   68.334   26.825   68.334   26.825 -0.000000 0.000000 
1 1 1    0   18   47 o   49.423   20.856   7.3453   12.033   7.3453   12.033   7.3453   12.033   49.423   29.494   49.423   29.494 -0.000000 0.000000 
1 1 1    0   18   48 o   39.988   16.747   4.6314   7.6539   4.6314   7.6539   4.6314   7.6539   39.988   23.683   39.988   23.683 -0.000000 0.000000 
1 1 1    0   18   49 o   87.728   18.393   23.048   9.2773   23.048   9.2773   23.048   9.2773   87.728   26.012   87.728   26.012 -0.000000 0.000000 
1 1 1    0   18   50 f   38.590   16.553   3.8676   7.8326   3.8676   7.8326   3.8676   7.8326   38.590   23.409   38.590   23.409 -0.000000 0.000000 
1 1 1    0   18   51 o   31.876   14.844  -0.8637   7.9774  -0.8637   7.9774  -0.8637   7.9774   31.876   20.992   31.876   20.992 -0.000000 0.000000 
1 1 1    0   18   52 o  128.038   14.511   42.822   11.334   42.822   11.334   42.822   11.334  128.038   20.522  128.038   20.522 -0.000000 0.000000 
1 1 1    0   18   53 o  142.467   14.490   52.575   12.825   52.575   12.825   52.575   12.825  142.467   20.493  142.467   20.493 -0.000000 0.000000 
1 1 1    0   18   54 o   39.879   18.157   1.7425   11.024   1.7425   11.024   1.7425   11.024   39.879   25.678   39.879   25.678 -0.000000 0.000000 
1 1 1    0   18   56 o   82.783   18.259   21.435   8.7595   21.435   8.7595   21.435   8.7595   82.783   25.823   82.783   25.823 -0.000000 0.000000 
1 1 1    0   18   57 o   40.923   17.010   5.6087   7.7924   5.6087   7.7924   5.6087   7.7924   40.923   24.056   40.923   24.056 -0.000000 0.000000 
1 1 1    0   18   58 o   92.423   24.652   31.612   14.101   31.612   14.101   31.612   14.101   92.423   34.864   92.423   34.864 -0.000000 0.000000 
1 1 1    0   18   59 o  232.754   16.536  145.399   24.849  145.399   24.849  145.399   24.849  232.754   23.385  232.754   23.385 -0.000000 0.000000 
1 1 1    0   18   60 o   28.141   13.990  -8.6808   10.086  -8.6808   10.086  -8.6808   10.086   28.141   19.785   28.141   19.785 -0.000000 0.000000 
1 1 1    0   18   62 o   42.557   18.868   6.5659   11.010   6.5659   11.010   6.5659   11.010   42.557   26.684   42.557   26.684 -0.000000 0.000000 
1 1 1    0   18   63 o  146.952   14.498   60.118   13.297   60.118   13.297   60.118   13.297  146.952   20.504  146.952   20.504 -0.000000 0.000000 
1 1 1    0   18   64 o   27.904   13.861  -6.7051   9.8386  -6.7051   9.8386  -6.7051   9.8386   27.904   19.602   27.904   19.602 -0.000000 0.000000 
1 1 1    0   19    1 o  581.813   32.224  824.159  122.166  824.159  122.166  824.159  122.166  581.813   45.572  581.813   45.572 -0.000000 0.000000 
1 1 1    0   19    2 o  326.574   17.784  255.420   37.862  255.420   37.862  255.420   37.862  326.574   25.151  326.574   25.151 -0.000000 0.000000 
1 1 1    0   19    3 o  100.776   10.757   25.355   6.6824   25.355   6.6824   25.355   6.6824  100.776   15.213  100.776   15.213 -0.000000 0.000000 
1 1 1    0   19    4 o  369.331   20.905  328.025   50.278  328.025   50.278  328.025   50.278  369.331   29.564  369.331   29.564 -0.000000 0.000000 
1 1 1    0   19    5 o  855.915   77.772  2019.46  420.019  2019.46  420.019  2019.46  420.019  855.915  109.986  855.915  109.986 -0.000000 0.000000 
1 1 1    0   19    6 o   96.467   16.645   25.371   9.1940   25.371   9.1940   25.371   9.1940   96.467   23.540   96.467   23.540 -0.000000 0.000000 
1 1 1    0   19    7 o   30.876   13.526   1.5477   5.4885   1.5477   5.4885   1.5477   5.4885   30.876   19.128   30.876   19.128 -0.000000 0.000000 
1 1 1    0   19    8 o  302.158   26.210  226.213   50.234  226.213   50.234  226.213   50.234  302.158   37.067  302.158   37.067 -0.000000 0.000000 
1 1 1    0   19   12 o  944.016   93.947  2663.35  552.791  2663.35  552.791  2663.35  552.791  944.016  132.861  944.016  132.861 -0.000000 0.000000 
1 1 1    0   19   13 o  526.858   44.761  709.619  149.907  709.619  149.907  709.619  149.907  526.858   63.301  526.858   63.301 -0.000000 0.000000 
1 1 1    0   19   15 o  346.986   18.564  288.915   42.014  288.915   42.014  288.915   42.014  346.986   26.254  346.986   26.254 -0.000000 0.000000 
1 1 1    0   19   16 o  185.867   12.317   83.223   14.825   83.223   14.825   83.223   14.825  185.867   17.419  185.867   17.419 -0.000000 0.000000 
1 1 1    0   19   17 o  185.486   12.223   82.926   14.685   82.926   14.685   82.926   14.685  185.486   17.286  185.486   17.286 -0.000000 0.000000 
1 1 1    0   19   18 o   58.948   13.564   10.385   4.6766   10.385   4.6766   10.385   4.6766   58.948   19.182   58.948   19.182 -0.000000 0.000000 
1 1 1    0   19   19 o   45.011   16.072   7.0350   5.9266   7.0350   5.9266   7.0350   5.9266   45.011   22.729   45.011   22.729 -0.000000 0.000000 
1 1 1    0   19   20 o  387.568   33.765  384.522   82.968  384.522   82.968  384.522   82.968  387.568   47.751  387.568   47.751 -0.000000 0.000000 
1 1 1    0   19   21 o  257.159   15.701  159.776   26.229  159.776   26.229  159.776   26.229  257.159   22.205  257.159   22.205 -0.000000 0.000000 
1 1 1    0   19   22 o  300.996   26.679  228.454   50.815  228.454   50.815  228.454   50.815  300.996   37.730  300.996   37.730 -0.000000 0.000000 
1 1 1    0   19   23 o   66.193   19.118   14.487   8.2337   14.487   8.2337   14.487   8.2337   66.193   27.038   66.193   27.038 -0.000000 0.000000 
1 1 1    0   19   24 o   49.554   14.700   8.1675   4.8363   8.1675   4.8363   8.1675   4.8363   49.554   20.788   49.554   20.788 -0.000000 0.000000 
1 1 1    0   19   25 o  183.273   11.611   80.960   13.805   80.960   13.805   80.960   13.805  183.273   16.420  183.273   16.420 -0.000000 0.000000 
1 1 1    0   19   26 o   22.310   10.947  -4.8378   5.6347  -4.8378   5.6347  -4.8378   5.6347   22.310   15.482   22.310   15.482 -0.000000 0.000000 
1 1 1    0   19   27 o  244.480   15.272  145.150   24.234  145.150   24.234  145.150   24.234  244.480   21.598  244.480   21.598 -0.000000 0.000000 
1 1 1    0   19   28 o  177.357   18.885   80.094   20.655   80.094   20.655   80.094   20.655  177.357   26.708  177.357   26.708 -0.000000 0.000000 
1 1 1    0   19   29 o  405.314   22.012  404.832   58.166  404.832   58.166  404.832   58.166  405.314   31.129  405.314   31.129 -0.000000 0.000000 
1 1 1    0   19   30 f  152.188   12.156   56.771   11.826   56.771   11.826   56.771   11.826  152.188   17.192  152.188   17.192 -0.000000 0.000000 
1 1 1    0   19   31 o  136.604   11.837   46.023   10.257   46.023   10.257   46.023   10.257  136.604   16.739  136.604   16.739 -0.000000 0.000000 
1 1 1    0   19   32 f  220.649   14.209  118.597   20.326  118.597   20.326  118.597   20.326  220.649   20.095  220.649   20.095 -0.000000 0.000000 
1 1 1    0   19   33 o  161.859   18.401   67.501   18.159   67.501   18.159   67.501   18.159  161.859   26.024  161.859   26.024 -0.000000 0.000000 
1 1 1    0   19   34 o   30.294   13.762   0.3145   6.2881   0.3145   6.2881   0.3145   6.2881   30.294   19.462   30.294   19.462 -0.000000 0.000000 
1 1 1    0   19   35 o   34.287   14.824   2.5377   6.3949   2.5377   6.3949   2.5377   6.3949   34.287   20.964   34.287   20.964 -0.000000 0.000000 
1 1 1    0   19   36 o  289.905   17.641  208.027   33.225  208.027   33.225  208.027   33.225  289.905   24.948  289.905   24.948 -0.000000 0.000000 
1 1 1    0   19   37 o  338.663   32.004  310.947   68.048  310.947   68.048  310.947   68.048  338.663   45.260  338.663   45.260 -0.000000 0.000000 
1 1 1    0   19   38 o   65.849   20.668   15.205   9.5032   15.205   9.5032   15.205   9.5032   65.849   29.229   65.849   29.229 -0.000000 0.000000 
1 1 1    0   19   39 o   40.871   15.357   5.8394   5.6005   5.8394   5.6005   5.8394   5.6005   40.871   21.718   40.871   21.718 -0.000000 0.000000 
1 1 1    0   19   40 o  121.270   19.626   40.834   13.702   40.834   13.702   40.834   13.702  121.270   27.755  121.270   27.755 -0.000000 0.000000 
1 1 1    0   19   41 o   25.868   12.663  -5.7735   7.4232  -5.7735   7.4232  -5.7735   7.4232   25.868   17.908   25.868   17.908 -0.000000 0.000000 
1 1 1    0   19   44 o  130.801   20.215   47.169   15.305   47.169   15.305   47.169   15.305  130.801   28.589  130.801   28.589 -0.000000 0.000000 
1 1 1    0   19   45 o  292.648   29.600  240.220   53.858  240.220   53.858  240.220   53.858  292.648   41.861  292.648   41.861 -0.000000 0.000000 
1 1 1    0   19   46 o  119.693   14.547   37.309   10.488   37.309   10.488   37.309   10.488  119.693   20.573  119.693   20.573 -0.000000 0.000000 
1 1 1    0   19   47 o   45.586   17.756   7.2947   7.7570   7.2947   7.7570   7.2947   7.7570   45.586   25.110   45.586   25.110 -0.000000 0.000000 
1 1 1    0   19   48 o  120.007   15.334   38.109   10.983   38.109   10.983   38.109   10.983  120.007   21.686  120.007   21.686 -0.000000 0.000000 
1 1 1    0   19   49 o  115.803   15.567   35.865   10.663   35.865   10.663   35.865   10.663  115.803   22.016  115.803   22.016 -0.000000 0.000000 
1 1 1    0   19   50 o   37.536   16.477   2.9746   8.1871   2.9746   8.1871   2.9746   8.1871   37.536   23.301   37.536   23.301 -0.000000 0.000000 
1 1 1    0   19   51 o   61.440   19.516   13.724   8.4692   13.724   8.4692   13.724   8.4692   61.440   27.599   61.440   27.599 -0.000000 0.000000 
1 1 1    0   19   52 o   45.029   17.906   7.2140   8.0838   7.2140   8.0838   7.2140   8.0838   45.029   25.323   45.029   25.323 -0.000000 0.000000 
1 1 1    0   19   53 o   21.970   11.168 -12.6384   7.8752 -12.6384   7.8752 -12.6384   7.8752   21.970   15.794   21.970   15.794 -0.000000 0.000000 
1 1 1    0   19   54 o   58.956   22.938   14.209   12.930   14.209   12.930   14.209   12.930   58.956   32.439   58.956   32.439 -0.000000 0.000000 
1 1 1    0   19   55 o   59.920   23.082   14.726   12.950   14.726   12.950   14.726   12.950   59.920   32.643   59.920   32.643 -0.000000 0.000000 
1 1 1    0   19   56 o   89.351   25.568   30.271   14.765   30.271   14.765   30.271   14.765   89.351   36.158   89.351   36.158 -0.000000 0.000000 
1 1 1    0   19   57 o   41.435   18.768   3.7301   11.590   3.7301   11.590   3.7301   11.590   41.435   26.542   41.435   26.542 -0.000000 0.000000 
1 1 1    0   19   58 o   60.387   19.665   14.181   8.6187   14.181   8.6187   14.181   8.6187   60.387   27.810   60.387   27.810 -0.000000 0.000000 
1 1 1    0   19   59 o   85.820   25.724   30.586   14.785   30.586   14.785   30.586   14.785   85.820   36.379   85.820   36.379 -0.000000 0.000000 
1 1 1    0   19   61 o   28.597   14.342 -10.3458   11.389 -10.3458   11.389 -10.3458   11.389   28.597   20.283   28.597   20.283 -0.000000 0.000000 
1 1 1    0   19   62 o   43.493   19.031   7.5858   10.835   7.5858   10.835   7.5858   10.835   43.493   26.914   43.493   26.914 -0.000000 0.000000 
1 1 1    0   19   63 o   42.792   16.842   8.0343   7.0613   8.0343   7.0613   8.0343   7.0613   42.792   23.818   42.792   23.818 -0.000000 0.000000 
1 1 1    0   20    0 o  373.571   31.331  343.819   74.491  343.819   74.491  343.819   74.491  373.571   44.309  373.571   44.309 -0.000000 0.000000 
1 1 1    0   20    1 o  189.334   12.431   86.263   15.247   86.263   15.247   86.263   15.247  189.334   17.580  189.334   17.580 -0.000000 0.000000 
1 1 1    0   20    2 o  588.203   32.884  847.371  126.004  847.371  126.004  847.371  126.004  588.203   46.506  588.203   46.506 -0.000000 0.000000 
1 1 1    0   20    3 o  308.954   26.838  237.101   52.586  237.101   52.586  237.101   52.586  308.954   37.955  308.954   37.955 -0.000000 0.000000 
1 1 1    0   20    4 o  143.584   17.153   52.439   14.883   52.439   14.883   52.439   14.883  143.584   24.258  143.584   24.258 -0.000000 0.000000 
1 1 1    0   20    5 o   31.081   13.581   1.6493   5.4974   1.6493   5.4974   1.6493   5.4974   31.081   19.206   31.081   19.206 -0.000000 0.000000 
1 1 1    0   20    6 o  696.711   61.282  1293.94  270.416  1293.94  270.416  1293.94  270.416  696.711   86.665  696.711   86.665 -0.000000 0.000000 
1 1 1    0   20    7 o  361.313   20.496  314.379   48.221  314.379   48.221  314.379   48.221  361.313   28.986  361.313   28.986 -0.000000 0.000000 
1 1 1    0   20    8 o   91.218   11.386   21.227   6.2262   21.227   6.2262   21.227   6.2262   91.218   16.103   91.218   16.103 -0.000000 0.000000 
1 1 1    0   20    9 o  394.400   20.950  374.308   53.903  374.308   53.903  374.308   53.903  394.400   29.628  394.400   29.628 -0.000000 0.000000 
1 1 1    0   20   10 o  148.661   11.010   53.515   10.546   53.515   10.546   53.515   10.546  148.661   15.571  148.661   15.571 -0.000000 0.000000 
1 1 1    0   20   11 o  183.349   12.137   81.006   14.412   81.006   14.412   81.006   14.412  183.349   17.165  183.349   17.165 -0.000000 0.000000 
1 1 1    0   20   12 o  142.548   16.883   51.761   14.565   51.761   14.565   51.761   14.565  142.548   23.876  142.548   23.876 -0.000000 0.000000 
1 1 1    0   20   13 o  262.478   15.617  166.065   26.651  166.065   26.651  166.065   26.651  262.478   22.085  262.478   22.085 -0.000000 0.000000 
1 1 1    0   20   14 o  560.945   31.990  783.513  116.829  783.513  116.829  783.513  116.829  560.945   45.241  560.945   45.241 -0.000000 0.000000 
1 1 1    0   20   15 o  116.619   10.729   33.517   7.8829   33.517   7.8829   33.517   7.8829  116.619   15.173  116.619   15.173 -0.000000 0.000000 
1 1 1    0   20   16 o  448.721   39.305  524.246  111.760  524.246  111.760  524.246  111.760  448.721   55.586  448.721   55.586 -0.000000 0.000000 
1 1 1    0   20   17 o  378.449   32.983  366.177   79.137  366.177   79.137  366.177   79.137  378.449   46.645  378.449   46.645 -0.000000 0.000000 
1 1 1    0   20   18 o   54.559   13.835   9.2549   4.5614   9.2549   4.5614   9.2549   4.5614   54.559   19.566   54.559   19.566 -0.000000 0.000000 
1 1 1    0   20   19 o  352.290   17.471  298.715   40.220  298.715   40.220  298.715   40.220  352.290   24.708  352.290   24.708 -0.000000 0.000000 
1 1 1    0   20   20 o  337.576   29.667  289.853   63.437  289.853   63.437  289.853   63.437  337.576   41.956  337.576   41.956 -0.000000 0.000000 
1 1 1    0   20   21 o  355.250   20.024  306.909   46.328  306.909   46.328  306.909   46.328  355.250   28.318  355.250   28.318 -0.000000 0.000000 
1 1 1    0   20   22 o  290.587   16.846  204.510   31.855  204.510   31.855  204.510   31.855  290.587   23.824  290.587   23.824 -0.000000 0.000000 
1 1 1    0   20   23 o  111.190   10.850   30.695   7.5407   30.695   7.5407   30.695   7.5407  111.190   15.344  111.190   15.344 -0.000000 0.000000 
1 1 1    0   20   24 o   90.650   17.072   23.145   8.8379   23.145   8.8379   23.145   8.8379   90.650   24.143   90.650   24.143 -0.000000 0.000000 
1 1 1    0   20   25 o   98.464   11.404   24.593   6.8234   24.593   6.8234   24.593   6.8234   98.464   16.128   98.464   16.128 -0.000000 0.000000 
1 1 1    0   20   26 o  117.608   17.592   36.942   12.029   36.942   12.029   36.942   12.029  117.608   24.878  117.608   24.878 -0.000000 0.000000 
1 1 1    0   20   27 o  503.180   27.905  638.270   91.489  638.270   91.489  638.270   91.489  503.180   39.463  503.180   39.463 -0.000000 0.000000 
1 1 1    0   20   28 o   41.142   16.334   5.4702   6.7128   5.4702   6.7128   5.4702   6.7128   41.142   23.100   41.142   23.100 -0.000000 0.000000 
1 1 1    0   20   29 o   42.728   15.163   6.3997   5.2567   6.3997   5.2567   6.3997   5.2567   42.728   21.444   42.728   21.444 -0.000000 0.000000 
1 1 1    0   20   30 o   35.573   14.167   4.0378   5.0711   4.0378   5.0711   4.0378   5.0711   35.573   20.036   35.573   20.036 -0.000000 0.000000 
1 1 1    0   20   31 o   37.153   15.525   3.8053   6.5523   3.8053   6.5523   3.8053   6.5523   37.153   21.955   37.153   21.955 -0.000000 0.000000 
1 1 1    0   20   32 o   20.041   10.042  -7.0638   5.5394  -7.0638   5.5394  -7.0638   5.5394   20.041   14.202   20.041   14.202 -0.000000 0.000000 
1 1 1    0   20   33 o  216.848   21.891  122.097   29.523  122.097   29.523  122.097   29.523  216.848   30.958  216.848   30.958 -0.000000 0.000000 
1 1 1    0   20   34 o  329.373   19.320  269.947   41.392  269.947   41.392  269.947   41.392  329.373   27.322  329.373   27.322 -0.000000 0.000000 
1 1 1    0   20   36 o  160.885   19.870   68.223   19.199   68.223   19.199   68.223   19.199  160.885   28.100  160.885   28.100 -0.000000 0.000000 
1 1 1    0   20   37 o  150.764   19.276   60.311   17.343   60.311   17.343   60.311   17.343  150.764   27.260  150.764   27.260 -0.000000 0.000000 
1 1 1    0   20   38 o  243.701   24.212  157.791   36.788  157.791   36.788  157.791   36.788  243.701   34.241  243.701   34.241 -0.000000 0.000000 
1 1 1    0   20   39 o  175.241   20.105   80.854   21.447   80.854   21.447   80.854   21.447  175.241   28.433  175.241   28.433 -0.000000 0.000000 
1 1 1    0   20   41 o  135.640   19.124   49.603   15.219   49.603   15.219   49.603   15.219  135.640   27.046  135.640   27.046 -0.000000 0.000000 
1 1 1    0   20   42 o   99.682   20.583   29.530   11.776   29.530   11.776   29.530   11.776   99.682   29.109   99.682   29.109 -0.000000 0.000000 
1 1 1    0   20   43 o  149.544   12.417   55.710   11.830   55.710   11.830   55.710   11.830  149.544   17.560  149.544   17.560 -0.000000 0.000000 
1 1 1    0   20   44 o   82.703   21.734   22.589   11.043   22.589   11.043   22.589   11.043   82.703   30.736   82.703   30.736 -0.000000 0.000000 
1 1 1    0   20   45 o   63.205   21.170   14.638   10.037   14.638   10.037   14.638   10.037   63.205   29.938   63.205   29.938 -0.000000 0.000000 
1 1 1    0   20   46 o  146.423   12.559   53.741   11.678   53.741   11.678   53.741   11.678  146.423   17.761  146.423   17.761 -0.000000 0.000000 
1 1 1    0   20   47 o   35.982   16.586   0.0008   9.5928   0.0008   9.5928   0.0008   9.5928   35.982   23.457   35.982   23.457 -0.000000 0.000000 
1 1 1    0   20   48 o   79.414   22.940   22.282   11.854   22.282   11.854   22.282   11.854   79.414   32.442   79.414   32.442 -0.000000 0.000000 
1 1 1    0   20   50 o  151.103   13.204   57.963   12.646   57.963   12.646   57.963   12.646  151.103   18.673  151.103   18.673 -0.000000 0.000000 
1 1 1    0   20   51 o   57.665   22.030   12.972   11.706   12.972   11.706   12.972   11.706   57.665   31.154   57.665   31.154 -0.000000 0.000000 
1 1 1    0   20   52 o  185.592   14.323   88.095   17.038   88.095   17.038   88.095   17.038  185.592   20.256  185.592   20.256 -0.000000 0.000000 
1 1 1    0   20   53 o   41.952   17.358   5.9777   8.0481   5.9777   8.0481   5.9777   8.0481   41.952   24.548   41.952   24.548 -0.000000 0.000000 
1 1 1    0   20   54 o  125.066   14.987   41.872   11.320   41.872   11.320   41.872   11.320  125.066   21.195  125.066   21.195 -0.000000 0.000000 
1 1 1    0   20   55 o   38.131   16.584   4.0057   8.1100   4.0057   8.1100   4.0057   8.1100   38.131   23.453   38.131   23.453 -0.000000 0.000000 
1 1 1    0   20   56 o   26.909   13.575 -13.1036   10.768 -13.1036   10.768 -13.1036   10.768   26.909   19.198   26.909   19.198 -0.000000 0.000000 
1 1 1    0   20   57 o   31.296   15.517  -9.5083   12.164  -9.5083   12.164  -9.5083   12.164   31.296   21.945   31.296   21.945 -0.000000 0.000000 
1 1 1    0   20   58 o   84.523   25.068   29.622   14.065   29.622   14.065   29.622   14.065   84.523   35.451   84.523   35.451 -0.000000 0.000000 
1 1 1    0   20   60 o   57.554   22.252   16.314   12.080   16.314   12.080   16.314   12.080   57.554   31.469   57.554   31.469 -0.000000 0.000000 
1 1 1    0   20   61 o   51.842   21.174   13.122   11.736   13.122   11.736   13.122   11.736   51.842   29.944   51.842   29.944 -0.000000 0.000000 
1 1 1    0   20   62 o   50.761   18.669   11.836   8.1448   11.836   8.1448   11.836   8.1448   50.761   26.402   50.761   26.402 -0.000000 0.000000 
1 1 1    0   21    1 o  127.951   10.527   39.956   8.5881   39.956   8.5881   39.956   8.5881  127.951   14.888  127.951   14.888 -0.000000 0.000000 
1 1 1    0   21    2 o   50.343   14.007   8.1893   4.4729   8.1893   4.4729   8.1893   4.4729   50.343   19.810   50.343   19.810 -0.000000 0.000000 
1 1 1    0   21    3 o  470.833   41.060  576.819  122.558  576.819  122.558  576.819  122.558  470.833   58.068  470.833   58.068 -0.000000 0.000000 
1 1 1    0   21    4 o  233.023   21.669  135.755   31.771  135.755   31.771  135.755   31.771  233.023   30.644  233.023   30.644 -0.000000 0.000000 
1 1 1    0   21    5 o   44.886   16.426   6.9578   6.2815   6.9578   6.2815   6.9578   6.2815   44.886   23.230   44.886   23.230 -0.000000 0.000000 
1 1 1    0   21    6 o   83.044   11.851   18.032   5.7631   18.032   5.7631   18.032   5.7631   83.044   16.760   83.044   16.760 -0.000000 0.000000 
1 1 1    0   21    7 o  557.681   24.446  755.187   89.311  755.187   89.311  755.187   89.311  557.681   34.572  557.681   34.572 -0.000000 0.000000 
1 1 1    0   21    8 o  280.217   16.616  189.666   30.275  189.666   30.275  189.666   30.275  280.217   23.498  280.217   23.498 -0.000000 0.000000 
1 1 1    0   21    9 o  333.673   15.186  266.229   33.173  266.229   33.173  266.229   33.173  333.673   21.477  333.673   21.477 -0.000000 0.000000 
1 1 1    0   21   10 o   62.135   14.061   11.477   5.0908   11.477   5.0908   11.477   5.0908   62.135   19.885   62.135   19.885 -0.000000 0.000000 
1 1 1    0   21   11 o  167.131   11.580   67.545   12.509   67.545   12.509   67.545   12.509  167.131   16.376  167.131   16.376 -0.000000 0.000000 
1 1 1    0   21   12 o  427.555   23.599  446.412   65.754  446.412   65.754  446.412   65.754  427.555   33.375  427.555   33.375 -0.000000 0.000000 
1 1 1    0   21   13 o  285.210   25.415  204.619   45.841  204.619   45.841  204.619   45.841  285.210   35.942  285.210   35.942 -0.000000 0.000000 
1 1 1    0   21   14 o  137.852   10.598   46.200   9.3667   46.200   9.3667   46.200   9.3667  137.852   14.988  137.852   14.988 -0.000000 0.000000 
1 1 1    0   21   15 o  130.942   11.078   41.996   9.2242   41.996   9.2242   41.996   9.2242  130.942   15.666  130.942   15.666 -0.000000 0.000000 
1 1 1    0   21   16 o  549.248   31.439  755.296  112.410  755.296  112.410  755.296  112.410  549.248   44.462  549.248   44.462 -0.000000 0.000000 
1 1 1    0   21   17 o  396.467   34.966  407.431   87.775  407.431   87.775  407.431   87.775  396.467   49.450  396.467   49.450 -0.000000 0.000000 
1 1 1    0   21   18 o   69.148   12.964   13.360   5.1190   13.360   5.1190   13.360   5.1190   69.148   18.334   69.148   18.334 -0.000000 0.000000 
1 1 1    0   21   19 o  273.256   16.312  181.059   28.978  181.059   28.978  181.059   28.978  273.256   23.069  273.256   23.069 -0.000000 0.000000 
1 1 1    0   21   20 o  119.063   10.338   34.822   7.8068   34.822   7.8068   34.822   7.8068  119.063   14.621  119.063   14.621 -0.000000 0.000000 
1 1 1    0   21   21 o  429.100   23.734  455.621   66.363  455.621   66.363  455.621   66.363  429.100   33.564  429.100   33.564 -0.000000 0.000000 
1 1 1    0   21   22 o   43.736   13.497   6.4724   4.0551   6.4724   4.0551   6.4724   4.0551   43.736   19.088   43.736   19.088 -0.000000 0.000000 
1 1 1    0   21   23 o   31.720   12.501   3.2412   3.8967   3.2412   3.8967   3.2412   3.8967   31.720   17.680   31.720   17.680 -0.000000 0.000000 
1 1 1    0   21   24 o  161.005   11.697   63.106   12.146   63.106   12.146   63.106   12.146  161.005   16.542  161.005   16.542 -0.000000 0.000000 
1 1 1    0   21   25 o  282.406   25.817  205.077   45.970  205.077   45.970  205.077   45.970  282.406   36.511  282.406   36.511 -0.000000 0.000000 
1 1 1    0   21   26 o   49.945   14.600   8.2888   4.7854   8.2888   4.7854   8.2888   4.7854   49.945   20.648   49.945   20.648 -0.000000 0.000000 
1 1 1    0   21   27 o  147.253   11.470   53.071   10.818   53.071   10.818   53.071   10.818  147.253   16.221  147.253   16.221 -0.000000 0.000000 
1 1 1    0   21   28 o  153.602   18.057   61.000   16.808   61.000   16.808   61.000   16.808  153.602   25.537  153.602   25.537 -0.000000 0.000000 
1 1 1    0   21   29 o   51.985   17.884   9.5867   7.2171   9.5867   7.2171   9.5867   7.2171   51.985   25.292   51.985   25.292 -0.000000 0.000000 
1 1 1    0   21   30 o  311.256   18.799  240.378   38.023  240.378   38.023  240.378   38.023  311.256   26.585  311.256   26.585 -0.000000 0.000000 
1 1 1    0   21   31 f   40.539   15.435   5.6628   5.7280   5.6628   5.7280   5.6628   5.7280   40.539   21.828   40.539   21.828 -0.000000 0.000000 
1 1 1    0   21   32 o  343.291   32.573  321.150   70.169  321.150   70.169  321.150   70.169  343.291   46.066  343.291   46.066 -0.000000 0.000000 
1 1 1    0   21   34 o   89.403   15.028   21.968   7.7075   21.968   7.7075   21.968   7.7075   89.403   21.253   89.403   21.253 -0.000000 0.000000 
1 1 1    0   21   35 o   39.961   15.521   5.4351   5.9083   5.4351   5.9083   5.4351   5.9083   39.961   21.950   39.961   21.950 -0.000000 0.000000 
1 1 1    0   21   36 o   59.367   20.178   12.781   9.1530   12.781   9.1530   12.781   9.1530   59.367   28.536   59.367   28.536 -0.000000 0.000000 
1 1 1    0   21   37 f   32.753   15.012  -0.0003   7.7072  -0.0003   7.7072  -0.0003   7.7072   32.753   21.230   32.753   21.230 -0.000000 0.000000 
1 1 1    0   21   40 o  291.734   28.456  231.192   51.893  231.192   51.893  231.192   51.893  291.734   40.243  291.734   40.243 -0.000000 0.000000 
1 1 1    0   21   41 o   27.225   13.199  -4.6754   7.6152  -4.6754   7.6152  -4.6754   7.6152   27.225   18.666   27.225   18.666 -0.000000 0.000000 
1 1 1    0   21   42 o  169.323   12.657   71.011   13.802   71.011   13.802   71.011   13.802  169.323   17.899  169.323   17.899 -0.000000 0.000000 
1 1 1    0   21   43 o  159.975   12.785   63.654   13.073   63.654   13.073   63.654   13.073  159.975   18.080  159.975   18.080 -0.000000 0.000000 
1 1 1    0   21   44 o  318.214   33.147  296.463   65.277  296.463   65.277  296.463   65.277  318.214   46.877  318.214   46.877 -0.000000 0.000000 
1 1 1    0   21   45 o   63.924   21.293   15.147   10.140   15.147   10.140   15.147   10.140   63.924   30.112   63.924   30.112 -0.000000 0.000000 
1 1 1    0   21   46 o   28.316   13.741  -4.9760   8.2968  -4.9760   8.2968  -4.9760   8.2968   28.316   19.433   28.316   19.433 -0.000000 0.000000 
1 1 1    0   21   47 o   56.670   20.602   12.191   9.8407   12.191   9.8407   12.191   9.8407   56.670   29.136   56.670   29.136 -0.000000 0.000000 
1 1 1    0   21   48 o   49.940   20.068   8.9731   10.297   8.9731   10.297   8.9731   10.297   49.940   28.380   49.940   28.380 -0.000000 0.000000 
1 1 1    0   21   49 o   39.059   16.413   4.6033   7.3953   4.6033   7.3953   4.6033   7.3953   39.059   23.211   39.059   23.211 -0.000000 0.000000 
1 1 1    0   21   50 o   28.792   13.534  -1.3421   6.8884  -1.3421   6.8884  -1.3421   6.8884   28.792   19.140   28.792   19.140 -0.000000 0.000000 
1 1 1    0   21   51 o   42.048   16.928   6.2806   7.3449   6.2806   7.3449   6.2806   7.3449   42.048   23.940   42.048   23.940 -0.000000 0.000000 
1 1 1    0   21   52 o   93.861   16.094   25.207   8.6530   25.207   8.6530   25.207   8.6530   93.861   22.760   93.861   22.760 -0.000000 0.000000 
1 1 1    0   21   53 o   95.924   16.833   26.744   9.2361   26.744   9.2361   26.744   9.2361   95.924   23.805   95.924   23.805 -0.000000 0.000000 
1 1 1    0   21   55 o  146.333   13.807   56.554   12.688   56.554   12.688   56.554   12.688  146.333   19.526  146.333   19.526 -0.000000 0.000000 
1 1 1    0   21   56 o   43.153   19.262   5.2748   11.693   5.2748   11.693   5.2748   11.693   43.153   27.240   43.153   27.240 -0.000000 0.000000 
1 1 1    0   21   57 o   30.702   15.078  -5.8261   10.744  -5.8261   10.744  -5.8261   10.744   30.702   21.323   30.702   21.323 -0.000000 0.000000 
1 1 1    0   21   60 o   32.431   15.714  -2.5449   10.758  -2.5449   10.758  -2.5449   10.758   32.431   22.223   32.431   22.223 -0.000000 0.000000 
1 1 1    0   21   61 o   31.956   14.714   1.9462   7.5170   1.9462   7.5170   1.9462   7.5170   31.956   20.808   31.956   20.808 -0.000000 0.000000 
1 1 1    0   22    1 f   87.450   17.268   21.768   8.6357   21.768   8.6357   21.768   8.6357   87.450   24.421   87.450   24.421 -0.000000 0.000000 
1 1 1    0   22    2 o  318.830   28.058  257.020   56.655  257.020   56.655  257.020   56.655  318.830   39.680  318.830   39.680 -0.000000 0.000000 
1 1 1    0   22    3 o  408.683   35.714  430.986   92.509  430.986   92.509  430.986   92.509  408.683   50.507  408.683   50.507 -0.000000 0.000000 
1 1 1    0   22    4 o  110.628   10.616   30.286   7.3588   30.286   7.3588   30.286   7.3588  110.628   15.013  110.628   15.013 -0.000000 0.000000 
1 1 1    0   22    5 o   42.641   13.917   6.2444   4.3175   6.2444   4.3175   6.2444   4.3175   42.641   19.681   42.641   19.681 -0.000000 0.000000 
1 1 1    0   22    6 o  213.679   10.877  108.978   15.178  108.978   15.178  108.978   15.178  213.679   15.382  213.679   15.382 -0.000000 0.000000 
1 1 1    0   22    7 o  833.625   37.254  1758.79  203.382  1758.79  203.382  1758.79  203.382  833.625   52.686  833.625   52.686 -0.000000 0.000000 
1 1 1    0   22    8 f  648.282   25.092  1023.16  106.777  1023.16  106.777  1023.16  106.777  648.282   35.486  648.282   35.486 -0.000000 0.000000 
1 1 1    0   22    9 o  235.885   11.486  132.763   17.711  132.763   17.711  132.763   17.711  235.885   16.243  235.885   16.243 -0.000000 0.000000 
1 1 1    0   22   10 o  396.953   22.726  385.539   58.724  385.539   58.724  385.539   58.724  396.953   32.139  396.953   32.139 -0.000000 0.000000 
1 1 1    0   22   11 o  373.360   20.234  338.787   49.255  338.787   49.255  338.787   49.255  373.360   28.615  373.360   28.615 -0.000000 0.000000 
1 1 1    0   22   12 o  165.950   11.277   66.578   12.106   66.578   12.106   66.578   12.106  165.950   15.948  165.950   15.948 -0.000000 0.000000 
1 1 1    0   22   13 o  127.382   10.734   39.752   8.6985   39.752   8.6985   39.752   8.6985  127.382   15.181  127.382   15.181 -0.000000 0.000000 
1 1 1    0   22   14 o   51.607   16.796   9.2016   6.2871   9.2016   6.2871   9.2016   6.2871   51.607   23.753   51.607   23.753 -0.000000 0.000000 
1 1 1    0   22   15 o   67.908   13.169   13.030   5.1106   13.030   5.1106   13.030   5.1106   67.908   18.624   67.908   18.624 -0.000000 0.000000 
1 1 1    0   22   16 o   87.931   11.288   19.893   5.9191   19.893   5.9191   19.893   5.9191   87.931   15.963   87.931   15.963 -0.000000 0.000000 
1 1 1    0   22   17 o   40.555   16.096   5.2941   6.5153   5.2941   6.5153   5.2941   6.5153   40.555   22.763   40.555   22.763 -0.000000 0.000000 
1 1 1    0   22   18 o  199.719   12.921   96.696   16.728   96.696   16.728   96.696   16.728  199.719   18.273  199.719   18.273 -0.000000 0.000000 
1 1 1    0   22   19 o  120.219   10.281   35.487   7.8516   35.487   7.8516   35.487   7.8516  120.219   14.540  120.219   14.540 -0.000000 0.000000 
1 1 1    0   22   20 f   54.388   13.488   9.1415   4.3942   9.1415   4.3942   9.1415   4.3942   54.388   19.075   54.388   19.075 -0.000000 0.000000 
1 1 1    0   22   21 o  229.874   13.563  127.868   20.277  127.868   20.277  127.868   20.277  229.874   19.182  229.874   19.182 -0.000000 0.000000 
1 1 1    0   22   22 o  311.633   28.355  252.492   55.747  252.492   55.747  252.492   55.747  311.633   40.100  311.633   40.100 -0.000000 0.000000 
1 1 1    0   22   23 o  326.288   18.840  261.484   40.006  261.484   40.006  261.484   40.006  326.288   26.644  326.288   26.644 -0.000000 0.000000 
1 1 1    0   22   24 o  161.306   11.247   63.251   11.723   63.251   11.723   63.251   11.723  161.306   15.906  161.306   15.906 -0.000000 0.000000 
1 1 1    0   22   25 o  101.640   11.352   26.145   7.0566   26.145   7.0566   26.145   7.0566  101.640   16.054  101.640   16.054 -0.000000 0.000000 
1 1 1    0   22   26 o  ?   ?  -10.9867   2.9635 -10.9867   2.9635 -10.9867   2.9635  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1    0   22   27 o   24.260   11.562  -2.2655   5.3470  -2.2655   5.3470  -2.2655   5.3470   24.260   16.351   24.260   16.351 -0.000000 0.000000 
1 1 1    0   22   28 o  250.626   15.575  154.416   25.341  154.416   25.341  154.416   25.341  250.626   22.026  250.626   22.026 -0.000000 0.000000 
1 1 1    0   22   29 o   55.009   19.629   10.881   8.8374   10.881   8.8374   10.881   8.8374   55.009   27.760   55.009   27.760 -0.000000 0.000000 
1 1 1    0   22   31 o  281.630   26.890  210.269   47.483  210.269   47.483  210.269   47.483  281.630   38.028  281.630   38.028 -0.000000 0.000000 
1 1 1    0   22   33 o  189.046   13.087   87.938   15.992   87.938   15.992   87.938   15.992  189.046   18.508  189.046   18.508 -0.000000 0.000000 
1 1 1    0   22   34 o   45.210   18.227   6.7122   8.5307   6.7122   8.5307   6.7122   8.5307   45.210   25.777   45.210   25.777 -0.000000 0.000000 
1 1 1    0   22   35 o   56.667   19.894   11.674   9.0048   11.674   9.0048   11.674   9.0048   56.667   28.134   56.667   28.134 -0.000000 0.000000 
1 1 1    0   22   37 o  177.379   20.472   82.962   22.080   82.962   22.080   82.962   22.080  177.379   28.951  177.379   28.951 -0.000000 0.000000 
1 1 1    0   22   38 o  170.889   20.897   77.767   21.485   77.767   21.485   77.767   21.485  170.889   29.553  170.889   29.553 -0.000000 0.000000 
1 1 1    0   22   39 o   77.610   21.996   20.642   10.959   20.642   10.959   20.642   10.959   77.610   31.108   77.610   31.108 -0.000000 0.000000 
1 1 1    0   22   40 o   32.039   14.112   1.7888   6.0584   1.7888   6.0584   1.7888   6.0584   32.039   19.958   32.039   19.958 -0.000000 0.000000 
1 1 1    0   22   41 o  157.030   20.627   66.694   19.238   66.694   19.238   66.694   19.238  157.030   29.171  157.030   29.171 -0.000000 0.000000 
1 1 1    0   22   42 o  290.877   17.573  213.592   33.216  213.592   33.216  213.592   33.216  290.877   24.852  290.877   24.852 -0.000000 0.000000 
1 1 1    0   22   43 o   99.034   21.312   30.135   12.181   30.135   12.181   30.135   12.181   99.034   30.140   99.034   30.140 -0.000000 0.000000 
1 1 1    0   22   44 o  248.880   16.111  156.350   25.990  156.350   25.990  156.350   25.990  248.880   22.784  248.880   22.784 -0.000000 0.000000 
1 1 1    0   22   45 o   27.570   13.481  -5.9663   8.3577  -5.9663   8.3577  -5.9663   8.3577   27.570   19.065   27.570   19.065 -0.000000 0.000000 
1 1 1    0   22   46 o   69.990   22.917   18.537   11.711   18.537   11.711   18.537   11.711   69.990   32.409   69.990   32.409 -0.000000 0.000000 
1 1 1    0   22   47 o   50.567   17.185   9.3982   6.6385   9.3982   6.6385   9.3982   6.6385   50.567   24.303   50.567   24.303 -0.000000 0.000000 
1 1 1    0   22   48 o   24.177   11.800  -4.3924   6.3302  -4.3924   6.3302  -4.3924   6.3302   24.177   16.688   24.177   16.688 -0.000000 0.000000 
1 1 1    0   22   49 o   24.050   11.725  -4.1237   6.2089  -4.1237   6.2089  -4.1237   6.2089   24.050   16.582   24.050   16.582 -0.000000 0.000000 
1 1 1    0   22   50 o  186.050   13.861   88.520   16.612   88.520   16.612   88.520   16.612  186.050   19.603  186.050   19.603 -0.000000 0.000000 
1 1 1    0   22   51 o   23.087   11.430  -6.0310   6.5298  -6.0310   6.5298  -6.0310   6.5298   23.087   16.164   23.087   16.164 -0.000000 0.000000 
1 1 1    0   22   52 o   26.517   13.009  -5.5740   7.9460  -5.5740   7.9460  -5.5740   7.9460   26.517   18.397   26.517   18.397 -0.000000 0.000000 
1 1 1    0   22   53 o   37.222   16.567   3.2947   8.5814   3.2947   8.5814   3.2947   8.5814   37.222   23.429   37.222   23.429 -0.000000 0.000000 
1 1 1    0   22   54 o   75.653   17.835   18.686   7.9461   18.686   7.9461   18.686   7.9461   75.653   25.223   75.653   25.223 -0.000000 0.000000 
1 1 1    0   22   55 o   65.794   21.448   17.896   10.254   17.896   10.254   17.896   10.254   65.794   30.332   65.794   30.332 -0.000000 0.000000 
1 1 1    0   22   56 o  125.754   22.289   51.914   16.025   51.914   16.025   51.914   16.025  125.754   31.522  125.754   31.522 -0.000000 0.000000 
1 1 1    0   22   58 o   53.737   21.148   13.924   11.133   13.924   11.133   13.924   11.133   53.737   29.907   53.737   29.907 -0.000000 0.000000 
1 1 1    0   22   59 o   31.788   15.237  -1.0016   9.5529  -1.0016   9.5529  -1.0016   9.5529   31.788   21.549   31.788   21.549 -0.000000 0.000000 
1 1 1    0   23    1 o   93.009   17.176   24.192   9.1233   24.192   9.1233   24.192   9.1233   93.009   24.290   93.009   24.290 -0.000000 0.000000 
1 1 1    0   23    2 o   26.143   11.919  -0.0000   4.7722  -0.0000   4.7722  -0.0000   4.7722   26.143   16.856   26.143   16.856 -0.000000 0.000000 
1 1 1    0   23    3 o  149.966   11.070   54.637   10.698   54.637   10.698   54.637   10.698  149.966   15.655  149.966   15.655 -0.000000 0.000000 
1 1 1    0   23    4 f  567.852   32.523  817.619  120.219  817.619  120.219  817.619  120.219  567.852   45.994  567.852   45.994 -0.000000 0.000000 
1 1 1    0   23    5 o  170.917   11.862   70.811   13.103   70.811   13.103   70.811   13.103  170.917   16.775  170.917   16.775 -0.000000 0.000000 
1 1 1    0   23    6 o  135.461   10.096   44.566   8.8089   44.566   8.8089   44.566   8.8089  135.461   14.277  135.461   14.277 -0.000000 0.000000 
1 1 1    0   23    7 o  100.423   8.3815   24.639   5.3595   24.639   5.3595   24.639   5.3595  100.423   11.853  100.423   11.853 -0.000000 0.000000 
1 1 1    0   23    8 o  280.444   12.507  187.949   22.972  187.949   22.972  187.949   22.972  280.444   17.688  280.444   17.688 -0.000000 0.000000 
1 1 1    0   23    9 f  484.522   22.150  574.596   70.253  574.596   70.253  574.596   70.253  484.522   31.325  484.522   31.325 -0.000000 0.000000 
1 1 1    0   23   10 o  202.014   10.358   97.605   13.663   97.605   13.663   97.605   13.663  202.014   14.648  202.014   14.648 -0.000000 0.000000 
1 1 1    0   23   11 o  426.312   19.090  441.431   53.293  441.431   53.293  441.431   53.293  426.312   26.997  426.312   26.997 -0.000000 0.000000 
1 1 1    0   23   12 o  318.614   17.670  247.170   36.684  247.170   36.684  247.170   36.684  318.614   24.989  318.614   24.989 -0.000000 0.000000 
1 1 1    0   23   13 o  747.721   44.059  1525.59  214.258  1525.59  214.258  1525.59  214.258  747.721   62.309  747.721   62.309 -0.000000 0.000000 
1 1 1    0   23   14 o   99.139   17.028   27.045   9.6690   27.045   9.6690   27.045   9.6690   99.139   24.081   99.139   24.081 -0.000000 0.000000 
1 1 1    0   23   15 o  168.518   11.667   68.940   12.709   68.940   12.709   68.940   12.709  168.518   16.500  168.518   16.500 -0.000000 0.000000 
1 1 1    0   23   16 o  326.867   19.198  262.122   40.816  262.122   40.816  262.122   40.816  326.867   27.150  326.867   27.150 -0.000000 0.000000 
1 1 1    0   23   17 o   43.347   17.234   6.0835   7.4866   6.0835   7.4866   6.0835   7.4866   43.347   24.372   43.347   24.372 -0.000000 0.000000 
1 1 1    0   23   18 o  401.554   23.244  401.774   60.738  401.774   60.738  401.774   60.738  401.554   32.872  401.554   32.872 -0.000000 0.000000 
1 1 1    0   23   19 o   86.941   11.959   19.723   6.1259   19.723   6.1259   19.723   6.1259   86.941   16.913   86.941   16.913 -0.000000 0.000000 
1 1 1    0   23   20 o   26.344   11.468   1.2998   3.8865   1.2998   3.8865   1.2998   3.8865   26.344   16.218   26.344   16.218 -0.000000 0.000000 
1 1 1    0   23   21 o   60.157   13.753   10.859   4.8319   10.859   4.8319   10.859   4.8319   60.157   19.449   60.157   19.449 -0.000000 0.000000 
1 1 1    0   23   22 o  415.526   39.962  486.621  104.013  486.621  104.013  486.621  104.013  415.526   56.514  415.526   56.514 -0.000000 0.000000 
1 1 1    0   23   23 o  154.132   11.056   57.942   10.997   57.942   10.997   57.942   10.997  154.132   15.636  154.132   15.636 -0.000000 0.000000 
1 1 1    0   23   24 o   50.203   15.014   8.5034   5.0384   8.5034   5.0384   8.5034   5.0384   50.203   21.233   50.203   21.233 -0.000000 0.000000 
1 1 1    0   23   25 o   23.142   10.672  -0.3504   3.9785  -0.3504   3.9785  -0.3504   3.9785   23.142   15.093   23.142   15.093 -0.000000 0.000000 
1 1 1    0   23   26 o   75.080   20.781   18.691   9.8656   18.691   9.8656   18.691   9.8656   75.080   29.389   75.080   29.389 -0.000000 0.000000 
1 1 1    0   23   27 o   31.206   14.435  -0.7132   7.3602  -0.7132   7.3602  -0.7132   7.3602   31.206   20.414   31.206   20.414 -0.000000 0.000000 
1 1 1    0   23   28 o  238.871   23.670  149.257   35.267  149.257   35.267  149.257   35.267  238.871   33.475  238.871   33.475 -0.000000 0.000000 
1 1 1    0   23   29 o   75.706   21.194   19.221   10.215   19.221   10.215   19.221   10.215   75.706   29.973   75.706   29.973 -0.000000 0.000000 
1 1 1    0   23   30 o  298.949   17.976  222.996   34.927  222.996   34.927  222.996   34.927  298.949   25.422  298.949   25.422 -0.000000 0.000000 
1 1 1    0   23   31 o   70.482   21.214   17.301   10.048   17.301   10.048   17.301   10.048   70.482   30.001   70.482   30.001 -0.000000 0.000000 
1 1 1    0   23   32 o  116.331   20.015   38.123   13.334   38.123   13.334   38.123   13.334  116.331   28.305  116.331   28.305 -0.000000 0.000000 
1 1 1    0   23   35 o   76.634   21.851   19.965   10.796   19.965   10.796   19.965   10.796   76.634   30.902   76.634   30.902 -0.000000 0.000000 
1 1 1    0   23   36 o  133.751   21.299   49.913   16.429   49.913   16.429   49.913   16.429  133.751   30.121  133.751   30.121 -0.000000 0.000000 
1 1 1    0   23   37 o  277.663   27.993  213.541   48.350  213.541   48.350  213.541   48.350  277.663   39.588  277.663   39.588 -0.000000 0.000000 
1 1 1    0   23   38 o  164.514   20.622   72.699   20.321   72.699   20.321   72.699   20.321  164.514   29.164  164.514   29.164 -0.000000 0.000000 
1 1 1    0   23   39 o   45.580   18.871   6.5086   9.5230   6.5086   9.5230   6.5086   9.5230   45.580   26.688   45.580   26.688 -0.000000 0.000000 
1 1 1    0   23   40 o  338.270   20.857  295.766   45.816  295.766   45.816  295.766   45.816  338.270   29.497  338.270   29.497 -0.000000 0.000000 
1 1 1    0   23   41 o   24.179   11.750  -3.9869   6.1179  -3.9869   6.1179  -3.9869   6.1179   24.179   16.617   24.179   16.617 -0.000000 0.000000 
1 1 1    0   23   42 o   65.505   22.626   16.335   11.571   16.335   11.571   16.335   11.571   65.505   31.998   65.505   31.998 -0.000000 0.000000 
1 1 1    0   23   43 o   95.156   15.769   25.266   8.6183   25.266   8.6183   25.266   8.6183   95.156   22.300   95.156   22.300 -0.000000 0.000000 
1 1 1    0   23   44 o  258.660   27.538  192.407   43.928  192.407   43.928  192.407   43.928  258.660   38.945  258.660   38.945 -0.000000 0.000000 
1 1 1    0   23   45 o  100.330   14.296   27.183   8.4011   27.183   8.4011   27.183   8.4011  100.330   20.218  100.330   20.218 -0.000000 0.000000 
1 1 1    0   23   46 o   18.786   9.5492  -9.4341   5.7559  -9.4341   5.7559  -9.4341   5.7559   18.786   13.505   18.786   13.505 -0.000000 0.000000 
1 1 1    0   23   47 o  111.088   13.526   32.650   9.0476   32.650   9.0476   32.650   9.0476  111.088   19.129  111.088   19.129 -0.000000 0.000000 
1 1 1    0   23   48 o   30.777   13.813   1.3362   6.1045   1.3362   6.1045   1.3362   6.1045   30.777   19.534   30.777   19.534 -0.000000 0.000000 
1 1 1    0   23   49 o   30.768   14.559  -1.8603   8.2068  -1.8603   8.2068  -1.8603   8.2068   30.768   20.590   30.768   20.590 -0.000000 0.000000 
1 1 1    0   23   50 o   72.654   17.672   17.236   7.6340   17.236   7.6340   17.236   7.6340   72.654   24.992   72.654   24.992 -0.000000 0.000000 
1 1 1    0   23   51 o   37.483   15.811   4.6251   6.9100   4.6251   6.9100   4.6251   6.9100   37.483   22.360   37.483   22.360 -0.000000 0.000000 
1 1 1    0   23   52 f   21.083   10.567  -7.1884   6.1489  -7.1884   6.1489  -7.1884   6.1489   21.083   14.944   21.083   14.944 -0.000000 0.000000 
1 1 1    0   23   53 o   22.191   11.240 -10.7254   7.6760 -10.7254   7.6760 -10.7254   7.6760   22.191   15.895   22.191   15.895 -0.000000 0.000000 
1 1 1    0   23   54 o   32.358   15.362  -0.9925   9.2714  -0.9925   9.2714  -0.9925   9.2714   32.358   21.725   32.358   21.725 -0.000000 0.000000 
1 1 1    0   23   56 o   37.682   17.221   3.5033   10.042   3.5033   10.042   3.5033   10.042   37.682   24.354   37.682   24.354 -0.000000 0.000000 
1 1 1    0   23   57 o  102.629   24.860   41.257   15.150   41.257   15.150   41.257   15.150  102.629   35.157  102.629   35.157 -0.000000 0.000000 
1 1 1    0   23   58 o   35.024   15.100   4.5201   6.5924   4.5201   6.5924   4.5201   6.5924   35.024   21.354   35.024   21.354 -0.000000 0.000000 
1 1 1    0   24    0 o  507.638   44.126  671.316  142.050  671.316  142.050  671.316  142.050  507.638   62.403  507.638   62.403 -0.000000 0.000000 
1 1 1    0   24    1 o   99.802   10.671   24.999   6.5630   24.999   6.5630   24.999   6.5630   99.802   15.092   99.802   15.092 -0.000000 0.000000 
1 1 1    0   24    2 o  347.384   31.295  315.249   68.671  315.249   68.671  315.249   68.671  347.384   44.258  347.384   44.258 -0.000000 0.000000 
1 1 1    0   24    3 o  329.668   29.714  282.195   61.874  282.195   61.874  282.195   61.874  329.668   42.022  329.668   42.022 -0.000000 0.000000 
1 1 1    0   24    4 o   98.125   17.187   26.632   9.6477   26.632   9.6477   26.632   9.6477   98.125   24.306   98.125   24.306 -0.000000 0.000000 
1 1 1    0   24    5 o  151.469   17.447   58.797   16.076   58.797   16.076   58.797   16.076  151.469   24.674  151.469   24.674 -0.000000 0.000000 
1 1 1    0   24    6 o   22.985   10.446   0.0936   3.6279   0.0936   3.6279   0.0936   3.6279   22.985   14.773   22.985   14.773 -0.000000 0.000000 
1 1 1    0   24    7 o  342.852   19.910  288.690   44.417  288.690   44.417  288.690   44.417  342.852   28.157  342.852   28.157 -0.000000 0.000000 
1 1 1    0   24    8 o   33.753   11.835   3.9588   3.1856   3.9588   3.1856   3.9588   3.1856   33.753   16.738   33.753   16.738 -0.000000 0.000000 
1 1 1    0   24    9 o   75.964   12.283   15.548   5.3724   15.548   5.3724   15.548   5.3724   75.964   17.371   75.964   17.371 -0.000000 0.000000 
1 1 1    0   24   10 o  100.166   8.3264   24.529   5.3127   24.529   5.3127   24.529   5.3127  100.166   11.775  100.166   11.775 -0.000000 0.000000 
1 1 1    0   24   11 o  169.287   18.192   73.123   18.961   73.123   18.961   73.123   18.961  169.287   25.727  169.287   25.727 -0.000000 0.000000 
1 1 1    0   24   12 o  181.906   12.412   80.474   14.604   80.474   14.604   80.474   14.604  181.906   17.553  181.906   17.553 -0.000000 0.000000 
1 1 1    0   24   13 o  204.396   13.198  101.528   17.488  101.528   17.488  101.528   17.488  204.396   18.665  204.396   18.665 -0.000000 0.000000 
1 1 1    0   24   14 o  156.665   17.846   63.077   17.041   63.077   17.041   63.077   17.041  156.665   25.239  156.665   25.239 -0.000000 0.000000 
1 1 1    0   24   15 o  273.900   16.261  183.260   28.959  183.260   28.959  183.260   28.959  273.900   22.996  273.900   22.996 -0.000000 0.000000 
1 1 1    0   24   16 o   42.401   13.720   6.2034   4.1927   6.2034   4.1927   6.2034   4.1927   42.401   19.403   42.401   19.403 -0.000000 0.000000 
1 1 1    0   24   17 o  230.934   13.799  129.660   20.716  129.660   20.716  129.660   20.716  230.934   19.515  230.934   19.515 -0.000000 0.000000 
1 1 1    0   24   18 o  109.306   11.076   29.922   7.5253   29.922   7.5253   29.922   7.5253  109.306   15.664  109.306   15.664 -0.000000 0.000000 
1 1 1    0   24   19 o  294.296   17.733  213.887   33.917  213.887   33.917  213.887   33.917  294.296   25.079  294.296   25.079 -0.000000 0.000000 
1 1 1    0   24   20 f   31.826   12.632   3.2586   4.0136   3.2586   4.0136   3.2586   4.0136   31.826   17.865   31.826   17.865 -0.000000 0.000000 
1 1 1    0   24   21 o  247.464   15.288  150.362   24.565  150.362   24.565  150.362   24.565  247.464   21.620  247.464   21.620 -0.000000 0.000000 
1 1 1    0   24   22 o  252.035   14.311  154.833   23.486  154.833   23.486  154.833   23.486  252.035   20.239  252.035   20.239 -0.000000 0.000000 
1 1 1    0   24   23 o   52.587   16.106   9.4416   5.7760   9.4416   5.7760   9.4416   5.7760   52.587   22.778   52.587   22.778 -0.000000 0.000000 
1 1 1    0   24   24 o   59.075   20.718   12.602   9.7622   12.602   9.7622   12.602   9.7622   59.075   29.299   59.075   29.299 -0.000000 0.000000 
1 1 1    0   24   25 o  134.559   20.261   49.366   15.836   49.366   15.836   49.366   15.836  134.559   28.653  134.559   28.653 -0.000000 0.000000 
1 1 1    0   24   26 o   36.826   14.854   4.2973   5.6698   4.2973   5.6698   4.2973   5.6698   36.826   21.007   36.826   21.007 -0.000000 0.000000 
1 1 1    0   24   27 o  101.736   20.635   30.604   12.030   30.604   12.030   30.604   12.030  101.736   29.182  101.736   29.182 -0.000000 0.000000 
1 1 1    0   24   28 o   44.613   18.152   6.3922   8.5750   6.3922   8.5750   6.3922   8.5750   44.613   25.671   44.613   25.671 -0.000000 0.000000 
1 1 1    0   24   29 o  232.935   23.417  143.414   33.945  143.414   33.945  143.414   33.945  232.935   33.117  232.935   33.117 -0.000000 0.000000 
1 1 1    0   24   32 o  146.481   19.757   57.552   17.107   57.552   17.107   57.552   17.107  146.481   27.940  146.481   27.940 -0.000000 0.000000 
1 1 1    0   24   33 o   44.308   18.362   5.9706   9.0306   5.9706   9.0306   5.9706   9.0306   44.308   25.967   44.308   25.967 -0.000000 0.000000 
1 1 1    0   24   34 o  187.840   21.077   93.953   24.194   93.953   24.194   93.953   24.194  187.840   29.807  187.840   29.807 -0.000000 0.000000 
1 1 1    0   24   35 o  111.947   13.569   32.546   9.1543   32.546   9.1543   32.546   9.1543  111.947   19.190  111.947   19.190 -0.000000 0.000000 
1 1 1    0   24   36 o   74.144   17.537   17.060   7.6652   17.060   7.6652   17.060   7.6652   74.144   24.801   74.144   24.801 -0.000000 0.000000 
1 1 1    0   24   37 f  131.607   13.053   43.948   10.714   43.948   10.714   43.948   10.714  131.607   18.460  131.607   18.460 -0.000000 0.000000 
1 1 1    0   24   38 o   26.178   12.954  -7.8684   8.3546  -7.8684   8.3546  -7.8684   8.3546   26.178   18.319   26.178   18.319 -0.000000 0.000000 
1 1 1    0   24   39 o   72.014   17.696   16.488   7.6064   16.488   7.6064   16.488   7.6064   72.014   25.026   72.014   25.026 -0.000000 0.000000 
1 1 1    0   24   41 o   77.116   22.843   21.336   11.682   21.336   11.682   21.336   11.682   77.116   32.305   77.116   32.305 -0.000000 0.000000 
1 1 1    0   24   42 o  153.877   12.976   59.824   12.701   59.824   12.701   59.824   12.701  153.877   18.351  153.877   18.351 -0.000000 0.000000 
1 1 1    0   24   43 o   38.378   15.986   4.5517   6.9090   4.5517   6.9090   4.5517   6.9090   38.378   22.608   38.378   22.608 -0.000000 0.000000 
1 1 1    0   24   44 o   78.992   17.141   19.066   7.8242   19.066   7.8242   19.066   7.8242   78.992   24.241   78.992   24.241 -0.000000 0.000000 
1 1 1    0   24   45 o   57.482   20.487   12.883   9.6204   12.883   9.6204   12.883   9.6204   57.482   28.973   57.482   28.973 -0.000000 0.000000 
1 1 1    0   24   46 o   27.489   13.024  -1.7684   6.6038  -1.7684   6.6038  -1.7684   6.6038   27.489   18.419   27.489   18.419 -0.000000 0.000000 
1 1 1    0   24   47 o   76.214   22.344   21.311   11.198   21.311   11.198   21.311   11.198   76.214   31.599   76.214   31.599 -0.000000 0.000000 
1 1 1    0   24   48 o   39.035   15.659   5.4118   6.2548   5.4118   6.2548   5.4118   6.2548   39.035   22.145   39.035   22.145 -0.000000 0.000000 
1 1 1    0   24   49 o   99.718   14.609   27.775   8.4957   27.775   8.4957   27.775   8.4957   99.718   20.660   99.718   20.660 -0.000000 0.000000 
1 1 1    0   24   50 o   74.012   16.935   17.551   7.3220   17.551   7.3220   17.551   7.3220   74.012   23.950   74.012   23.950 -0.000000 0.000000 
1 1 1    0   24   51 o   46.664   17.089   8.5969   6.8030   8.5969   6.8030   8.5969   6.8030   46.664   24.168   46.664   24.168 -0.000000 0.000000 
1 1 1    0   24   52 o   78.611   22.301   24.072   11.262   24.072   11.262   24.072   11.262   78.611   31.538   78.611   31.538 -0.000000 0.000000 
1 1 1    0   24   55 o   26.361   13.167  -8.0742   9.2718  -8.0742   9.2718  -8.0742   9.2718   26.361   18.620   26.361   18.620 -0.000000 0.000000 
1 1 1    0   25    1 o  174.502   11.748   73.943   13.268   73.943   13.268   73.943   13.268  174.502   16.615  174.502   16.615 -0.000000 0.000000 
1 1 1    0   25    2 o   54.041   13.567   9.0851   4.4127   9.0851   4.4127   9.0851   4.4127   54.041   19.186   54.041   19.186 -0.000000 0.000000 
1 1 1    0   25    3 o  145.689   11.062   51.825   10.342   51.825   10.342   51.825   10.342  145.689   15.644  145.689   15.644 -0.000000 0.000000 
1 1 1    0   25    4 o  202.590   13.074   99.759   17.171   99.759   17.171   99.759   17.171  202.590   18.490  202.590   18.490 -0.000000 0.000000 
1 1 1    0   25    5 o   39.089   15.188   5.1016   5.6596   5.1016   5.6596   5.1016   5.6596   39.089   21.479   39.089   21.479 -0.000000 0.000000 
1 1 1    0   25    6 o  185.974   19.090   88.254   22.024   88.254   22.024   88.254   22.024  185.974   26.997  185.974   26.997 -0.000000 0.000000 
1 1 1    0   25    7 o  400.946   37.589  441.544   94.725  441.544   94.725  441.544   94.725  400.946   53.159  400.946   53.159 -0.000000 0.000000 
1 1 1    0   25    9 o  129.866   10.719   41.422   8.8725   41.422   8.8725   41.422   8.8725  129.866   15.158  129.866   15.158 -0.000000 0.000000 
1 1 1    0   25   10 o   94.823   10.696   22.767   6.1921   22.767   6.1921   22.767   6.1921   94.823   15.126   94.823   15.126 -0.000000 0.000000 
1 1 1    0   25   11 o  190.806   12.672   88.719   15.656   88.719   15.656   88.719   15.656  190.806   17.921  190.806   17.921 -0.000000 0.000000 
1 1 1    0   25   12 o   55.935   11.409   8.9967   3.6587   8.9967   3.6587   8.9967   3.6587   55.935   16.135   55.935   16.135 -0.000000 0.000000 
1 1 1    0   25   13 o  144.584   11.024   51.178   10.225   51.178   10.225   51.178   10.225  144.584   15.590  144.584   15.590 -0.000000 0.000000 
1 1 1    0   25   14 o  320.475   30.110  276.016   60.631  276.016   60.631  276.016   60.631  320.475   42.582  320.475   42.582 -0.000000 0.000000 
1 1 1    0   25   15 o  448.825   26.260  519.215   76.671  519.215   76.671  519.215   76.671  448.825   37.137  448.825   37.137 -0.000000 0.000000 
1 1 1    0   25   16 o  166.686   11.772   67.912   12.672   67.912   12.672   67.912   12.672  166.686   16.648  166.686   16.648 -0.000000 0.000000 
1 1 1    0   25   17 o   34.750   12.874   4.1835   3.8950   4.1835   3.8950   4.1835   3.8950   34.750   18.207   34.750   18.207 -0.000000 0.000000 
1 1 1    0   25   18 o   82.685   11.857   18.016   5.7369   18.016   5.7369   18.016   5.7369   82.685   16.769   82.685   16.769 -0.000000 0.000000 
1 1 1    0   25   19 o  127.842   11.381   40.503   9.2023   40.503   9.2023   40.503   9.2023  127.842   16.095  127.842   16.095 -0.000000 0.000000 
1 1 1    0   25   20 o  275.750   17.336  188.180   31.020  188.180   31.020  188.180   31.020  275.750   24.516  275.750   24.516 -0.000000 0.000000 
1 1 1    0   25   21 o  238.487   14.930  139.751   23.109  139.751   23.109  139.751   23.109  238.487   21.115  238.487   21.115 -0.000000 0.000000 
1 1 1    0   25   24 o   67.585   21.610   16.353   10.388   16.353   10.388   16.353   10.388   67.585   30.561   67.585   30.561 -0.000000 0.000000 
1 1 1    0   25   25 o   20.948   10.653 -12.1017   7.1976 -12.1017   7.1976 -12.1017   7.1976   20.948   15.065   20.948   15.065 -0.000000 0.000000 
1 1 1    0   25   28 o  120.070   20.040   40.321   13.811   40.321   13.811   40.321   13.811  120.070   28.340  120.070   28.340 -0.000000 0.000000 
1 1 1    0   25   30 o   33.780   15.493  -0.0010   8.2270  -0.0010   8.2270  -0.0010   8.2270   33.780   21.910   33.780   21.910 -0.000000 0.000000 
1 1 1    0   25   31 o   77.163   17.555   18.216   7.9029   18.216   7.9029   18.216   7.9029   77.163   24.827   77.163   24.827 -0.000000 0.000000 
1 1 1    0   25   32 o  177.431   13.300   78.245   15.196   78.245   15.196   78.245   15.196  177.431   18.809  177.431   18.809 -0.000000 0.000000 
1 1 1    0   25   33 o   47.717   19.146   7.7047   9.3545   7.7047   9.3545   7.7047   9.3545   47.717   27.077   47.717   27.077 -0.000000 0.000000 
1 1 1    0   25   34 o   33.078   15.424  -1.1709   8.6600  -1.1709   8.6600  -1.1709   8.6600   33.078   21.812   33.078   21.812 -0.000000 0.000000 
1 1 1    0   25   35 o   50.308   17.703   9.2371   7.1377   9.2371   7.1377   9.2371   7.1377   50.308   25.036   50.308   25.036 -0.000000 0.000000 
1 1 1    0   25   36 o  120.747   13.342   37.569   9.8725   37.569   9.8725   37.569   9.8725  120.747   18.869  120.747   18.869 -0.000000 0.000000 
1 1 1    0   25   37 o   32.124   14.472   1.0728   6.7787   1.0728   6.7787   1.0728   6.7787   32.124   20.467   32.124   20.467 -0.000000 0.000000 
1 1 1    0   25   38 o  152.862   21.810   65.495   19.524   65.495   19.524   65.495   19.524  152.862   30.844  152.862   30.844 -0.000000 0.000000 
1 1 1    0   25   39 o  162.401   21.826   73.628   20.966   73.628   20.966   73.628   20.966  162.401   30.866  162.401   30.866 -0.000000 0.000000 
1 1 1    0   25   40 o   33.231   14.795   1.7722   6.8494   1.7722   6.8494   1.7722   6.8494   33.231   20.923   33.231   20.923 -0.000000 0.000000 
1 1 1    0   25   41 o   41.961   16.669   6.1700   6.9965   6.1700   6.9965   6.1700   6.9965   41.961   23.574   41.961   23.574 -0.000000 0.000000 
1 1 1    0   25   42 o   33.153   14.608   2.1712   6.4963   2.1712   6.4963   2.1712   6.4963   33.153   20.658   33.153   20.658 -0.000000 0.000000 
1 1 1    0   25   43 o  139.591   13.354   50.319   11.685   50.319   11.685   50.319   11.685  139.591   18.885  139.591   18.885 -0.000000 0.000000 
1 1 1    0   25   44 o   52.910   20.403   11.011   10.128   11.011   10.128   11.011   10.128   52.910   28.854   52.910   28.854 -0.000000 0.000000 
1 1 1    0   25   45 o   27.348   13.408  -5.9873   8.4058  -5.9873   8.4058  -5.9873   8.4058   27.348   18.962   27.348   18.962 -0.000000 0.000000 
1 1 1    0   25   46 o   50.344   17.426   9.6665   6.8699   9.6665   6.8699   9.6665   6.8699   50.344   24.645   50.344   24.645 -0.000000 0.000000 
1 1 1    0   25   47 o   45.377   18.438   7.9233   8.8282   7.9233   8.8282   7.9233   8.8282   45.377   26.075   45.377   26.075 -0.000000 0.000000 
1 1 1    0   25   48 o   94.547   14.883   25.344   8.1262   25.344   8.1262   25.344   8.1262   94.547   21.047   94.547   21.047 -0.000000 0.000000 
1 1 1    0   25   49 o   37.120   15.496   4.6512   6.5162   4.6512   6.5162   4.6512   6.5162   37.120   21.914   37.120   21.914 -0.000000 0.000000 
1 1 1    0   25   50 o   35.148   15.031   3.9961   6.4204   3.9961   6.4204   3.9961   6.4204   35.148   21.257   35.148   21.257 -0.000000 0.000000 
1 1 1    0   25   51 o   30.730   14.588  -1.0331   8.3577  -1.0331   8.3577  -1.0331   8.3577   30.730   20.631   30.730   20.631 -0.000000 0.000000 
1 1 1    0   25   53 o   47.735   19.684   10.388   10.294   10.388   10.294   10.388   10.294   47.735   27.838   47.735   27.838 -0.000000 0.000000 
1 1 1    0   25   54 o   47.978   20.317   11.206   11.501   11.206   11.501   11.206   11.501   47.978   28.733   47.978   28.733 -0.000000 0.000000 
1 1 1    0   25   55 o  122.787   14.169   43.286   10.579   43.286   10.579   43.286   10.579  122.787   20.038  122.787   20.038 -0.000000 0.000000 
1 1 1    0   26    7 f   46.581   16.682   7.7068   6.3966   7.7068   6.3966   7.7068   6.3966   46.581   23.592   46.581   23.592 -0.000000 0.000000 
1 1 1    0   26    9 o   42.627   15.742   6.3790   5.8096   6.3790   5.8096   6.3790   5.8096   42.627   22.263   42.627   22.263 -0.000000 0.000000 
1 1 1    0   26   10 o  122.194   16.912   39.587   12.162   39.587   12.162   39.587   12.162  122.194   23.917  122.194   23.917 -0.000000 0.000000 
1 1 1    0   26   11 o   51.751   16.875   9.3734   6.3479   9.3734   6.3479   9.3734   6.3479   51.751   23.865   51.751   23.865 -0.000000 0.000000 
1 1 1    0   26   12 o  331.657   31.123  296.576   64.867  296.576   64.867  296.576   64.867  331.657   44.014  331.657   44.014 -0.000000 0.000000 
1 1 1    0   26   13 o  185.874   11.511   83.792   13.891   83.792   13.891   83.792   13.891  185.874   16.279  185.874   16.279 -0.000000 0.000000 
1 1 1    0   26   14 o  109.705   10.506   29.972   7.2238   29.972   7.2238   29.972   7.2238  109.705   14.857  109.705   14.857 -0.000000 0.000000 
1 1 1    0   26   15 o  163.959   18.229   69.585   18.295   69.585   18.295   69.585   18.295  163.959   25.779  163.959   25.779 -0.000000 0.000000 
1 1 1    0   26   16 o   30.566   13.988  -0.0000   6.6556  -0.0000   6.6556  -0.0000   6.6556   30.566   19.782   30.566   19.782 -0.000000 0.000000 
1 1 1    0   26   17 o  180.039   19.695   84.555   21.766   84.555   21.766   84.555   21.766  180.039   27.852  180.039   27.852 -0.000000 0.000000 
1 1 1    0   26   18 o  105.717   19.236   31.840   11.617   31.840   11.617   31.840   11.617  105.717   27.204  105.717   27.204 -0.000000 0.000000 
1 1 1    0   26   23 o   44.628   17.097   6.9535   7.0692   6.9535   7.0692   6.9535   7.0692   44.628   24.179   44.628   24.179 -0.000000 0.000000 
1 1 1    0   26   24 o  105.660   18.920   31.638   11.425   31.638   11.425   31.638   11.425  105.660   26.756  105.660   26.756 -0.000000 0.000000 
1 1 1    0   26   25 o   87.991   21.274   24.430   11.109   24.430   11.109   24.430   11.109   87.991   30.086   87.991   30.086 -0.000000 0.000000 
1 1 1    0   26   26 o   42.042   18.011   4.4728   9.2508   4.4728   9.2508   4.4728   9.2508   42.042   25.471   42.042   25.471 -0.000000 0.000000 
1 1 1    0   26   27 o   45.692   16.853   7.4623   6.6521   7.4623   6.6521   7.4623   6.6521   45.692   23.834   45.692   23.834 -0.000000 0.000000 
1 1 1    0   26   28 o  252.117   15.872  158.541   25.966  158.541   25.966  158.541   25.966  252.117   22.447  252.117   22.447 -0.000000 0.000000 
1 1 1    0   26   29 o   73.417   21.605   18.758   10.461   18.758   10.461   18.758   10.461   73.417   30.553   73.417   30.553 -0.000000 0.000000 
1 1 1    0   26   30 o   79.816   16.408   18.718   7.5133   18.718   7.5133   18.718   7.5133   79.816   23.204   79.816   23.204 -0.000000 0.000000 
1 1 1    0   26   31 o  212.115   14.329  111.746   19.667  111.746   19.667  111.746   19.667  212.115   20.264  212.115   20.264 -0.000000 0.000000 
1 1 1    0   26   32 o  159.280   12.709   63.296   12.940   63.296   12.940   63.296   12.940  159.280   17.973  159.280   17.973 -0.000000 0.000000 
1 1 1    0   26   33 o   40.113   16.424   5.1402   7.0892   5.1402   7.0892   5.1402   7.0892   40.113   23.228   40.113   23.228 -0.000000 0.000000 
1 1 1    0   26   34 o   27.079   12.857  -2.1834   6.4959  -2.1834   6.4959  -2.1834   6.4959   27.079   18.182   27.079   18.182 -0.000000 0.000000 
1 1 1    0   26   36 o  103.781   15.052   29.181   9.1243   29.181   9.1243   29.181   9.1243  103.781   21.287  103.781   21.287 -0.000000 0.000000 
1 1 1    0   26   37 o  177.511   13.306   79.191   15.209   79.191   15.209   79.191   15.209  177.511   18.817  177.511   18.817 -0.000000 0.000000 
1 1 1    0   26   38 o  215.847   14.698  117.769   20.521  117.769   20.521  117.769   20.521  215.847   20.786  215.847   20.786 -0.000000 0.000000 
1 1 1    0   26   39 o   35.962   16.443   0.8514   9.1708   0.8514   9.1708   0.8514   9.1708   35.962   23.254   35.962   23.254 -0.000000 0.000000 
1 1 1    0   26   40 o   88.545   16.480   22.818   8.3327   22.818   8.3327   22.818   8.3327   88.545   23.306   88.545   23.306 -0.000000 0.000000 
1 1 1    0   26   41 o  129.461   13.342   43.634   10.708   43.634   10.708   43.634   10.708  129.461   18.869  129.461   18.869 -0.000000 0.000000 
1 1 1    0   26   42 o  217.206   15.108  121.440   21.207  121.440   21.207  121.440   21.207  217.206   21.366  217.206   21.366 -0.000000 0.000000 
1 1 1    0   26   43 o   31.977   14.447   1.2381   6.8130   1.2381   6.8130   1.2381   6.8130   31.977   20.430   31.977   20.430 -0.000000 0.000000 
1 1 1    0   26   44 o   43.848   16.547   7.3203   6.5285   7.3203   6.5285   7.3203   6.5285   43.848   23.401   43.848   23.401 -0.000000 0.000000 
1 1 1    0   26   45 o   29.249   14.122  -3.5315   8.5208  -3.5315   8.5208  -3.5315   8.5208   29.249   19.971   29.249   19.971 -0.000000 0.000000 
1 1 1    0   26   46 o   32.652   14.510   2.2012   6.5542   2.2012   6.5542   2.2012   6.5542   32.652   20.520   32.652   20.520 -0.000000 0.000000 
1 1 1    0   26   47 o   52.875   20.358   11.744   10.070   11.744   10.070   11.744   10.070   52.875   28.791   52.875   28.791 -0.000000 0.000000 
1 1 1    0   26   48 o  113.433   13.472   35.198   9.2440   35.198   9.2440   35.198   9.2440  113.433   19.052  113.433   19.052 -0.000000 0.000000 
1 1 1    0   26   49 o   79.280   22.802   25.188   11.727   25.188   11.727   25.188   11.727   79.280   32.247   79.280   32.247 -0.000000 0.000000 
1 1 1    0   26   50 o   33.841   15.648   1.5904   8.6378   1.5904   8.6378   1.5904   8.6378   33.841   22.129   33.841   22.129 -0.000000 0.000000 
1 1 1    0   26   52 o   17.319   9.0237 -20.2659   7.4495 -20.2659   7.4495 -20.2659   7.4495   17.319   12.761   17.319   12.761 -0.000000 0.000000 
1 1 1    0   26   53 o   21.773   10.933  -6.9714   6.6881  -6.9714   6.6881  -6.9714   6.6881   21.773   15.461   21.773   15.461 -0.000000 0.000000 
1 1 1    0   27    1 o  224.338   14.041  123.126   20.444  123.126   20.444  123.126   20.444  224.338   19.857  224.338   19.857 -0.000000 0.000000 
1 1 1    0   27    2 o  113.172   10.633   31.860   7.5611   31.860   7.5611   31.860   7.5611  113.172   15.038  113.172   15.038 -0.000000 0.000000 
1 1 1    0   27    3 o  337.536   19.532  283.916   42.903  283.916   42.903  283.916   42.903  337.536   27.623  337.536   27.623 -0.000000 0.000000 
1 1 1    0   27    4 o   91.416   17.455   23.896   9.1149   23.896   9.1149   23.896   9.1149   91.416   24.685   91.416   24.685 -0.000000 0.000000 
1 1 1    0   27    5 o  105.577   17.277   30.629   10.489   30.629   10.489   30.629   10.489  105.577   24.433  105.577   24.433 -0.000000 0.000000 
1 1 1    0   27    6 o  446.387   47.577  616.966  130.946  616.966  130.946  616.966  130.946  446.387   67.284  446.387   67.284 -0.000000 0.000000 
1 1 1    0   27    7 o   47.334   17.048   7.9897   6.7024   7.9897   6.7024   7.9897   6.7024   47.334   24.110   47.334   24.110 -0.000000 0.000000 
1 1 1    0   27    8 o   31.385   13.684   1.9231   5.5524   1.9231   5.5524   1.9231   5.5524   31.385   19.352   31.385   19.352 -0.000000 0.000000 
1 1 1    0   27    9 o  259.170   24.982  177.861   40.542  177.861   40.542  177.861   40.542  259.170   35.330  259.170   35.330 -0.000000 0.000000 
1 1 1    0   27   14 o   35.752   14.180   4.1932   5.0524   4.1932   5.0524   4.1932   5.0524   35.752   20.054   35.752   20.054 -0.000000 0.000000 
1 1 1    0   27   15 o   22.597   10.559  -0.8495   4.0933  -0.8495   4.0933  -0.8495   4.0933   22.597   14.932   22.597   14.932 -0.000000 0.000000 
1 1 1    0   27   16 o  112.337   18.748   35.128   12.089   35.128   12.089   35.128   12.089  112.337   26.514  112.337   26.514 -0.000000 0.000000 
1 1 1    0   27   17 o  183.486   19.942   88.048   22.485   88.048   22.485   88.048   22.485  183.486   28.202  183.486   28.202 -0.000000 0.000000 
1 1 1    0   27   18 o  139.355   18.403   51.694   15.217   51.694   15.217   51.694   15.217  139.355   26.026  139.355   26.026 -0.000000 0.000000 
1 1 1    0   27   20 o  215.188   21.756  121.308   29.110  121.308   29.110  121.308   29.110  215.188   30.768  215.188   30.768 -0.000000 0.000000 
1 1 1    0   27   21 o   44.302   15.204   6.9540   5.2108   6.9540   5.2108   6.9540   5.2108   44.302   21.502   44.302   21.502 -0.000000 0.000000 
1 1 1    0   27   22 o   36.192   14.415   4.2656   5.2504   4.2656   5.2504   4.2656   5.2504   36.192   20.386   36.192   20.386 -0.000000 0.000000 
1 1 1    0   27   23 o   65.787   19.988   15.107   8.9065   15.107   8.9065   15.107   8.9065   65.787   28.267   65.787   28.267 -0.000000 0.000000 
1 1 1    0   27   24 o  144.865   11.778   52.098   10.890   52.098   10.890   52.098   10.890  144.865   16.657  144.865   16.657 -0.000000 0.000000 
1 1 1    0   27   25 o   61.813   20.265   13.833   9.1589   13.833   9.1589   13.833   9.1589   61.813   28.659   61.813   28.659 -0.000000 0.000000 
1 1 1    0   27   26 o  155.242   12.354   59.801   12.263   59.801   12.263   59.801   12.263  155.242   17.471  155.242   17.471 -0.000000 0.000000 
1 1 1    0   27   27 o  281.183   17.594  198.735   32.108  198.735   32.108  198.735   32.108  281.183   24.881  281.183   24.881 -0.000000 0.000000 
1 1 1    0   27   28 o   45.704   18.804   6.7294   9.3615   6.7294   9.3615   6.7294   9.3615   45.704   26.593   45.704   26.593 -0.000000 0.000000 
1 1 1    0   27   29 o  163.283   12.814   66.523   13.393   66.523   13.393   66.523   13.393  163.283   18.122  163.283   18.122 -0.000000 0.000000 
1 1 1    0   27   30 o   61.114   18.552   13.097   7.6742   13.097   7.6742   13.097   7.6742   61.114   26.237   61.114   26.237 -0.000000 0.000000 
1 1 1    0   27   31 o  210.151   22.919  120.575   29.580  120.575   29.580  120.575   29.580  210.151   32.412  210.151   32.412 -0.000000 0.000000 
1 1 1    0   27   32 o   82.878   22.446   23.460   11.611   23.460   11.611   23.460   11.611   82.878   31.743   82.878   31.743 -0.000000 0.000000 
1 1 1    0   27   33 o   80.291   22.409   22.405   11.434   22.405   11.434   22.405   11.434   80.291   31.691   80.291   31.691 -0.000000 0.000000 
1 1 1    0   27   34 o   74.844   17.422   17.514   7.6506   17.514   7.6506   17.514   7.6506   74.844   24.639   74.844   24.639 -0.000000 0.000000 
1 1 1    0   27   35 o   27.865   13.000  -0.8535   6.1661  -0.8535   6.1661  -0.8535   6.1661   27.865   18.385   27.865   18.385 -0.000000 0.000000 
1 1 1    0   27   36 o   61.235   21.415   14.450   10.418   14.450   10.418   14.450   10.418   61.235   30.285   61.235   30.285 -0.000000 0.000000 
1 1 1    0   27   38 o   18.649   9.5494 -11.9047   6.2822 -11.9047   6.2822 -11.9047   6.2822   18.649   13.505   18.649   13.505 -0.000000 0.000000 
1 1 1    0   27   39 o   99.141   15.550   27.526   8.9068   27.526   8.9068   27.526   8.9068   99.141   21.990   99.141   21.990 -0.000000 0.000000 
1 1 1    0   27   40 o   49.572   19.654   9.3463   9.7001   9.3463   9.7001   9.3463   9.7001   49.572   27.795   49.572   27.795 -0.000000 0.000000 
1 1 1    0   27   41 o  110.916   14.245   33.160   9.4217   33.160   9.4217   33.160   9.4217  110.916   20.146  110.916   20.146 -0.000000 0.000000 
1 1 1    0   27   42 o   32.936   14.708   2.0334   6.8267   2.0334   6.8267   2.0334   6.8267   32.936   20.800   32.936   20.800 -0.000000 0.000000 
1 1 1    0   27   43 o   25.300   12.149  -2.4386   6.1286  -2.4386   6.1286  -2.4386   6.1286   25.300   17.181   25.300   17.181 -0.000000 0.000000 
1 1 1    0   27   44 o   31.587   14.298   1.3460   6.7146   1.3460   6.7146   1.3460   6.7146   31.587   20.221   31.587   20.221 -0.000000 0.000000 
1 1 1    0   27   45 o   22.541   11.246  -6.8595   6.7008  -6.8595   6.7008  -6.8595   6.7008   22.541   15.904   22.541   15.904 -0.000000 0.000000 
1 1 1    0   27   46 o  151.282   13.536   61.412   12.944   61.412   12.944   61.412   12.944  151.282   19.143  151.282   19.143 -0.000000 0.000000 
1 1 1    0   27   47 o   44.271   18.671   8.0221   9.6324   8.0221   9.6324   8.0221   9.6324   44.271   26.405   44.271   26.405 -0.000000 0.000000 
1 1 1    0   27   48 o   20.041   10.354 -17.8791   8.3984 -17.8791   8.3984 -17.8791   8.3984   20.041   14.643   20.041   14.643 -0.000000 0.000000 
1 1 1    0   27   51 f   20.706   10.647 -14.8474   8.2608 -14.8474   8.2608 -14.8474   8.2608   20.706   15.056   20.706   15.056 -0.000000 0.000000 
1 1 1    0   28    1 o  131.815   10.570   42.781   8.9030   42.781   8.9030   42.781   8.9030  131.815   14.948  131.815   14.948 -0.000000 0.000000 
1 1 1    0   28    2 o  235.122   14.571  136.098   22.243  136.098   22.243  136.098   22.243  235.122   20.606  235.122   20.606 -0.000000 0.000000 
1 1 1    0   28    3 o   53.968   14.193   9.3159   4.7079   9.3159   4.7079   9.3159   4.7079   53.968   20.072   53.968   20.072 -0.000000 0.000000 
1 1 1    0   28    4 o  111.406   10.786   31.043   7.5197   31.043   7.5197   31.043   7.5197  111.406   15.254  111.406   15.254 -0.000000 0.000000 
1 1 1    0   28    5 o  139.656   11.028   48.028   9.8545   48.028   9.8545   48.028   9.8545  139.656   15.597  139.656   15.597 -0.000000 0.000000 
1 1 1    0   28    6 o   69.208   13.387   13.646   5.2944   13.646   5.2944   13.646   5.2944   69.208   18.932   69.208   18.932 -0.000000 0.000000 
1 1 1    0   28    7 f  103.559   10.976   27.082   7.0153   27.082   7.0153   27.082   7.0153  103.559   15.523  103.559   15.523 -0.000000 0.000000 
1 1 1    0   28    8 o  173.009   12.039   73.388   13.461   73.388   13.461   73.388   13.461  173.009   17.026  173.009   17.026 -0.000000 0.000000 
1 1 1    0   28    9 o  155.390   11.554   59.332   11.566   59.332   11.566   59.332   11.566  155.390   16.339  155.390   16.339 -0.000000 0.000000 
1 1 1    0   28   10 o  141.953   11.181   49.633   10.157   49.633   10.157   49.633   10.157  141.953   15.813  141.953   15.813 -0.000000 0.000000 
1 1 1    0   28   11 o   99.867   8.9675   24.665   5.6589   24.665   5.6589   24.665   5.6589   99.867   12.682   99.867   12.682 -0.000000 0.000000 
1 1 1    0   28   12 o  371.257   17.164  340.010   41.704  340.010   41.704  340.010   41.704  371.257   24.274  371.257   24.274 -0.000000 0.000000 
1 1 1    0   28   13 o  164.226   11.768   66.172   12.473   66.172   12.473   66.172   12.473  164.226   16.643  164.226   16.643 -0.000000 0.000000 
1 1 1    0   28   14 o   60.920   16.249   12.007   6.1265   12.007   6.1265   12.007   6.1265   60.920   22.980   60.920   22.980 -0.000000 0.000000 
1 1 1    0   28   15 o   74.798   20.719   18.686   9.8035   18.686   9.8035   18.686   9.8035   74.798   29.301   74.798   29.301 -0.000000 0.000000 
1 1 1    0   28   16 o  140.084   11.758   48.627   10.482   48.627   10.482   48.627   10.482  140.084   16.629  140.084   16.629 -0.000000 0.000000 
1 1 1    0   28   17 o   27.423   12.345   0.6164   4.9215   0.6164   4.9215   0.6164   4.9215   27.423   17.459   27.423   17.459 -0.000000 0.000000 
1 1 1    0   28   18 o   43.854   15.452   6.8746   5.4407   6.8746   5.4407   6.8746   5.4407   43.854   21.852   43.854   21.852 -0.000000 0.000000 
1 1 1    0   28   19 o   25.849   12.545  -4.3864   6.9205  -4.3864   6.9205  -4.3864   6.9205   25.849   17.742   25.849   17.742 -0.000000 0.000000 
1 1 1    0   28   20 o  104.927   12.286   28.343   7.8177   28.343   7.8177   28.343   7.8177  104.927   17.375  104.927   17.375 -0.000000 0.000000 
1 1 1    0   28   21 o   19.647   9.7724  -5.4101   4.9429  -5.4101   4.9429  -5.4101   4.9429   19.647   13.820   19.647   13.820 -0.000000 0.000000 
1 1 1    0   28   22 o   29.790   12.967   1.7924   4.9682   1.7924   4.9682   1.7924   4.9682   29.790   18.339   29.790   18.339 -0.000000 0.000000 
1 1 1    0   28   23 o  203.152   13.599  102.067   17.883  102.067   17.883  102.067   17.883  203.152   19.231  203.152   19.231 -0.000000 0.000000 
1 1 1    0   28   24 o   28.360   13.652  -3.9519   7.8380  -3.9519   7.8380  -3.9519   7.8380   28.360   19.307   28.360   19.307 -0.000000 0.000000 
1 1 1    0   28   25 o   95.648   12.999   24.186   7.3402   24.186   7.3402   24.186   7.3402   95.648   18.383   95.648   18.383 -0.000000 0.000000 
1 1 1    0   28   26 o   28.312   13.682  -4.4136   8.0395  -4.4136   8.0395  -4.4136   8.0395   28.312   19.350   28.312   19.350 -0.000000 0.000000 
1 1 1    0   28   27 o   46.357   16.518   7.8264   6.2526   7.8264   6.2526   7.8264   6.2526   46.357   23.360   46.357   23.360 -0.000000 0.000000 
1 1 1    0   28   28 o  128.059   19.817   45.978   14.687   45.978   14.687   45.978   14.687  128.059   28.025  128.059   28.025 -0.000000 0.000000 
1 1 1    0   28   29 o   46.680   19.464   7.0161   10.261   7.0161   10.261   7.0161   10.261   46.680   27.527   46.680   27.527 -0.000000 0.000000 
1 1 1    0   28   30 o   29.299   13.469  -0.0284   6.2657  -0.0284   6.2657  -0.0284   6.2657   29.299   19.048   29.299   19.048 -0.000000 0.000000 
1 1 1    0   28   31 o   25.918   12.834  -7.7048   8.2413  -7.7048   8.2413  -7.7048   8.2413   25.918   18.150   25.918   18.150 -0.000000 0.000000 
1 1 1    0   28   32 o  122.670   13.561   39.102   10.193   39.102   10.193   39.102   10.193  122.670   19.177  122.670   19.177 -0.000000 0.000000 
1 1 1    0   28   33 o   40.101   16.131   5.4876   6.6616   5.4876   6.6616   5.4876   6.6616   40.101   22.812   40.101   22.812 -0.000000 0.000000 
1 1 1    0   28   34 o  137.784   12.817   48.499   11.111   48.499   11.111   48.499   11.111  137.784   18.126  137.784   18.126 -0.000000 0.000000 
1 1 1    0   28   35 o   36.126   15.421   3.6765   6.7330   3.6765   6.7330   3.6765   6.7330   36.126   21.808   36.126   21.808 -0.000000 0.000000 
1 1 1    0   28   36 o   52.037   17.792   10.226   7.1265   10.226   7.1265   10.226   7.1265   52.037   25.161   52.037   25.161 -0.000000 0.000000 
1 1 1    0   28   37 o  120.931   23.342   45.579   16.129   45.579   16.129   45.579   16.129  120.931   33.010  120.931   33.010 -0.000000 0.000000 
1 1 1    0   28   38 o  146.157   13.042   54.978   12.053   54.978   12.053   54.978   12.053  146.157   18.444  146.157   18.444 -0.000000 0.000000 
1 1 1    0   28   39 o   81.922   17.649   20.969   8.3457   20.969   8.3457   20.969   8.3457   81.922   24.960   81.922   24.960 -0.000000 0.000000 
1 1 1    0   28   40 o  154.418   23.428   73.749   20.992   73.749   20.992   73.749   20.992  154.418   33.132  154.418   33.132 -0.000000 0.000000 
1 1 1    0   28   41 o   88.158   23.995   29.005   13.242   29.005   13.242   29.005   13.242   88.158   33.934   88.158   33.934 -0.000000 0.000000 
1 1 1    0   28   42 o   76.692   17.226   18.778   7.6857   18.778   7.6857   18.778   7.6857   76.692   24.362   76.692   24.362 -0.000000 0.000000 
1 1 1    0   28   43 o   54.994   18.097   11.917   7.3067   11.917   7.3067   11.917   7.3067   54.994   25.592   54.994   25.592 -0.000000 0.000000 
1 1 1    0   28   44 o   73.710   22.722   22.567   11.493   22.567   11.493   22.567   11.493   73.710   32.133   73.710   32.133 -0.000000 0.000000 
1 1 1    0   28   45 o   27.179   13.341  -4.8991   8.3877  -4.8991   8.3877  -4.8991   8.3877   27.179   18.868   27.179   18.868 -0.000000 0.000000 
1 1 1    0   28   48 o   60.056   21.093   16.923   10.126   16.923   10.126   16.923   10.126   60.056   29.830   60.056   29.830 -0.000000 0.000000 
1 1 1    0   28   49 o   45.298   18.695   9.7978   9.2984   9.7978   9.2984   9.7978   9.2984   45.298   26.439   45.298   26.439 -0.000000 0.000000 
1 1 1    0   29    1 o  259.168   15.153  165.206   25.547  165.206   25.547  165.206   25.547  259.168   21.429  259.168   21.429 -0.000000 0.000000 
1 1 1    0   29    2 o  259.789   15.458  166.315   26.110  166.315   26.110  166.315   26.110  259.789   21.861  259.789   21.861 -0.000000 0.000000 
1 1 1    0   29    3 o  111.995   10.964   31.408   7.6718   31.408   7.6718   31.408   7.6718  111.995   15.505  111.995   15.505 -0.000000 0.000000 
1 1 1    0   29    4 o  122.533   10.870   37.262   8.4278   37.262   8.4278   37.262   8.4278  122.533   15.373  122.533   15.373 -0.000000 0.000000 
1 1 1    0   29    5 o  197.918   12.761   95.894   16.374   95.894   16.374   95.894   16.374  197.918   18.047  197.918   18.047 -0.000000 0.000000 
1 1 1    0   29    6 o  179.068   19.274   83.524   21.243   83.524   21.243   83.524   21.243  179.068   27.257  179.068   27.257 -0.000000 0.000000 
1 1 1    0   29    7 o   56.310   13.723   9.8114   4.5977   9.8114   4.5977   9.8114   4.5977   56.310   19.407   56.310   19.407 -0.000000 0.000000 
1 1 1    0   29    8 o   79.887   18.712   19.746   8.7864   19.746   8.7864   19.746   8.7864   79.887   26.462   79.887   26.462 -0.000000 0.000000 
1 1 1    0   29    9 o   71.402   13.384   14.410   5.4570   14.410   5.4570   14.410   5.4570   71.402   18.927   71.402   18.927 -0.000000 0.000000 
1 1 1    0   29   10 o   45.116   15.356   7.2418   5.3025   7.2418   5.3025   7.2418   5.3025   45.116   21.716   45.116   21.716 -0.000000 0.000000 
1 1 1    0   29   11 o  199.484   12.943   97.963   16.735   97.963   16.735   97.963   16.735  199.484   18.305  199.484   18.305 -0.000000 0.000000 
1 1 1    0   29   12 o  175.826   9.4828   74.639   10.873   74.639   10.873   74.639   10.873  175.826   13.411  175.826   13.411 -0.000000 0.000000 
1 1 1    0   29   13 o  210.932   10.710  107.682   14.755  107.682   14.755  107.682   14.755  210.932   15.147  210.932   15.147 -0.000000 0.000000 
1 1 1    0   29   14 o  167.437   10.154   68.101   11.047   68.101   11.047   68.101   11.047  167.437   14.360  167.437   14.360 -0.000000 0.000000 
1 1 1    0   29   15 o  116.101   19.540   37.918   13.013   37.918   13.013   37.918   13.013  116.101   27.634  116.101   27.634 -0.000000 0.000000 
1 1 1    0   29   16 o  126.783   11.992   40.364   9.5443   40.364   9.5443   40.364   9.5443  126.783   16.959  126.783   16.959 -0.000000 0.000000 
1 1 1    0   29   17 o   30.282   13.243   1.7562   5.2388   1.7562   5.2388   1.7562   5.2388   30.282   18.728   30.282   18.728 -0.000000 0.000000 
1 1 1    0   29   18 o  140.438   11.982   49.195   10.693   49.195   10.693   49.195   10.693  140.438   16.946  140.438   16.946 -0.000000 0.000000 
1 1 1    0   29   19 o  188.928   21.017   95.515   24.303   95.515   24.303   95.515   24.303  188.928   29.723  188.928   29.723 -0.000000 0.000000 
1 1 1    0   29   20 o  180.443   12.794   80.767   14.907   80.767   14.907   80.767   14.907  180.443   18.094  180.443   18.094 -0.000000 0.000000 
1 1 1    0   29   21 o  166.990   12.642   69.427   13.549   69.427   13.549   69.427   13.549  166.990   17.878  166.990   17.878 -0.000000 0.000000 
1 1 1    0   29   22 o  189.628   13.143   89.407   16.109   89.407   16.109   89.407   16.109  189.628   18.586  189.628   18.586 -0.000000 0.000000 
1 1 1    0   29   23 o   39.749   15.078   5.6034   5.4469   5.6034   5.4469   5.6034   5.4469   39.749   21.323   39.749   21.323 -0.000000 0.000000 
1 1 1    0   29   24 o   47.202   15.928   8.0320   5.6927   8.0320   5.6927   8.0320   5.6927   47.202   22.525   47.202   22.525 -0.000000 0.000000 
1 1 1    0   29   25 o  102.542   12.931   27.580   7.9332   27.580   7.9332   27.580   7.9332  102.542   18.287  102.542   18.287 -0.000000 0.000000 
1 1 1    0   29   26 o   45.430   16.203   7.5500   6.0195   7.5500   6.0195   7.5500   6.0195   45.430   22.914   45.430   22.914 -0.000000 0.000000 
1 1 1    0   29   27 o  136.402   12.391   47.117   10.665   47.117   10.665   47.117   10.665  136.402   17.523  136.402   17.523 -0.000000 0.000000 
1 1 1    0   29   28 o   39.073   17.170   3.3689   8.9146   3.3689   8.9146   3.3689   8.9146   39.073   24.282   39.073   24.282 -0.000000 0.000000 
1 1 1    0   29   29 f  166.921   20.585   76.854   20.642   76.854   20.642   76.854   20.642  166.921   29.112  166.921   29.112 -0.000000 0.000000 
1 1 1    0   29   30 o   73.045   16.920   16.681   7.2409   16.681   7.2409   16.681   7.2409   73.045   23.928   73.045   23.928 -0.000000 0.000000 
1 1 1    0   29   31 o   53.381   17.404   10.430   6.7517   10.430   6.7517   10.430   6.7517   53.381   24.613   53.381   24.613 -0.000000 0.000000 
1 1 1    0   29   32 o   52.114   17.771   10.218   7.1048   10.218   7.1048   10.218   7.1048   52.114   25.131   52.114   25.131 -0.000000 0.000000 
1 1 1    0   29   33 o   88.069   16.570   22.819   8.3338   22.819   8.3338   22.819   8.3338   88.069   23.434   88.069   23.434 -0.000000 0.000000 
1 1 1    0   29   34 o   59.837   17.861   12.743   7.1327   12.743   7.1327   12.743   7.1327   59.837   25.259   59.837   25.259 -0.000000 0.000000 
1 1 1    0   29   35 o   52.091   17.596   10.217   6.9493   10.217   6.9493   10.217   6.9493   52.091   24.884   52.091   24.884 -0.000000 0.000000 
1 1 1    0   29   36 o   51.011   17.545   9.9655   6.9456   9.9655   6.9456   9.9655   6.9456   51.011   24.813   51.011   24.813 -0.000000 0.000000 
1 1 1    0   29   37 o   92.549   16.448   25.291   8.7020   25.291   8.7020   25.291   8.7020   92.549   23.261   92.549   23.261 -0.000000 0.000000 
1 1 1    0   29   38 o   90.038   15.765   23.724   8.1202   23.724   8.1202   23.724   8.1202   90.038   22.295   90.038   22.295 -0.000000 0.000000 
1 1 1    0   29   39 o   33.467   14.579   2.9007   6.2902   2.9007   6.2902   2.9007   6.2902   33.467   20.618   33.467   20.618 -0.000000 0.000000 
1 1 1    0   29   40 f   45.684   17.071   8.3611   6.8924   8.3611   6.8924   8.3611   6.8924   45.684   24.142   45.684   24.142 -0.000000 0.000000 
1 1 1    0   29   41 o   52.567   20.335   12.297   10.096   12.297   10.096   12.297   10.096   52.567   28.759   52.567   28.759 -0.000000 0.000000 
1 1 1    0   29   43 o   22.492   11.429 -11.5244   8.2089 -11.5244   8.2089 -11.5244   8.2089   22.492   16.163   22.492   16.163 -0.000000 0.000000 
1 1 1    0   29   45 o   18.683   9.7004 -19.5938   8.0320 -19.5938   8.0320 -19.5938   8.0320   18.683   13.719   18.683   13.719 -0.000000 0.000000 
1 1 1    0   29   46 o   94.760   23.681   36.013   13.482   36.013   13.482   36.013   13.482   94.760   33.490   94.760   33.490 -0.000000 0.000000 
1 1 1    0   30    0 o   16.267   8.3357  -9.7365   4.8343  -9.7365   4.8343  -9.7365   4.8343   16.267   11.788   16.267   11.788 -0.000000 0.000000 
1 1 1    0   30    1 o   59.791   14.691   11.159   5.2427   11.159   5.2427   11.159   5.2427   59.791   20.776   59.791   20.776 -0.000000 0.000000 
1 1 1    0   30    2 o   17.617   8.6386  -2.9156   3.4937  -2.9156   3.4937  -2.9156   3.4937   17.617   12.217   17.617   12.217 -0.000000 0.000000 
1 1 1    0   30    3 o   56.782   14.496   10.219   4.9872   10.219   4.9872   10.219   4.9872   56.782   20.500   56.782   20.500 -0.000000 0.000000 
1 1 1    0   30    4 o  123.379   11.047   37.926   8.6149   37.926   8.6149   37.926   8.6149  123.379   15.623  123.379   15.623 -0.000000 0.000000 
1 1 1    0   30    5 o  125.039   11.008   38.896   8.7168   38.896   8.7168   38.896   8.7168  125.039   15.568  125.039   15.568 -0.000000 0.000000 
1 1 1    0   30    6 o  105.175   11.274   28.060   7.3035   28.060   7.3035   28.060   7.3035  105.175   15.943  105.175   15.943 -0.000000 0.000000 
1 1 1    0   30    7 o   19.666   9.6802  -4.0116   4.4981  -4.0116   4.4981  -4.0116   4.4981   19.666   13.690   19.666   13.690 -0.000000 0.000000 
1 1 1    0   30    8 o  182.400   19.883   87.763   22.275   87.763   22.275   87.763   22.275  182.400   28.119  182.400   28.119 -0.000000 0.000000 
1 1 1    0   30    9 o   25.643   11.776  -0.1513   4.7739  -0.1513   4.7739  -0.1513   4.7739   25.643   16.654   25.643   16.654 -0.000000 0.000000 
1 1 1    0   30   10 o  255.158   16.880  163.881   27.894  163.881   27.894  163.881   27.894  255.158   23.872  255.158   23.872 -0.000000 0.000000 
1 1 1    0   30   11 o  179.739   11.460   79.157   13.359   79.157   13.359   79.157   13.359  179.739   16.207  179.739   16.207 -0.000000 0.000000 
1 1 1    0   30   12 o   35.223   14.120   4.0448   5.0813   4.0448   5.0813   4.0448   5.0813   35.223   19.969   35.223   19.969 -0.000000 0.000000 
1 1 1    0   30   13 o   14.960   7.6696  -8.2946   4.1197  -8.2946   4.1197  -8.2946   4.1197   14.960   10.846   14.960   10.846 -0.000000 0.000000 
1 1 1    0   30   14 o   58.408   13.801   10.499   4.7504   10.499   4.7504   10.499   4.7504   58.408   19.518   58.408   19.518 -0.000000 0.000000 
1 1 1    0   30   15 o   64.101   13.065   11.968   4.8012   11.968   4.8012   11.968   4.8012   64.101   18.477   64.101   18.477 -0.000000 0.000000 
1 1 1    0   30   16 o   50.313   15.432   8.7802   5.3020   8.7802   5.3020   8.7802   5.3020   50.313   21.824   50.313   21.824 -0.000000 0.000000 
1 1 1    0   30   17 o   97.354   9.3432   23.721   5.6994   23.721   5.6994   23.721   5.6994   97.354   13.213   97.354   13.213 -0.000000 0.000000 
1 1 1    0   30   18 o  131.764   9.2036   42.479   7.8357   42.479   7.8357   42.479   7.8357  131.764   13.016  131.764   13.016 -0.000000 0.000000 
1 1 1    0   30   19 o  114.758   12.455   33.816   8.7854   33.816   8.7854   33.816   8.7854  114.758   17.614  114.758   17.614 -0.000000 0.000000 
1 1 1    0   30   20 o  176.278   12.531   77.347   14.261   77.347   14.261   77.347   14.261  176.278   17.721  176.278   17.721 -0.000000 0.000000 
1 1 1    0   30   21 o  209.339   14.224  110.028   19.263  110.028   19.263  110.028   19.263  209.339   20.116  209.339   20.116 -0.000000 0.000000 
1 1 1    0   30   22 o   36.102   14.722   4.1921   5.6594   4.1921   5.6594   4.1921   5.6594   36.102   20.819   36.102   20.819 -0.000000 0.000000 
1 1 1    0   30   23 o   33.008   13.944   3.0343   5.3911   3.0343   5.3911   3.0343   5.3911   33.008   19.720   33.008   19.720 -0.000000 0.000000 
1 1 1    0   30   24 o  124.654   20.061   44.392   14.405   44.392   14.405   44.392   14.405  124.654   28.370  124.654   28.370 -0.000000 0.000000 
1 1 1    0   30   25 o   19.910   9.8714  -4.9260   4.9210  -4.9260   4.9210  -4.9260   4.9210   19.910   13.960   19.910   13.960 -0.000000 0.000000 
1 1 1    0   30   26 o   18.592   9.3124  -5.8319   4.7483  -5.8319   4.7483  -5.8319   4.7483   18.592   13.170   18.592   13.170 -0.000000 0.000000 
1 1 1    0   30   27 o   46.645   16.534   8.0917   6.2456   8.0917   6.2456   8.0917   6.2456   46.645   23.382   46.645   23.382 -0.000000 0.000000 
1 1 1    0   30   28 o   90.609   15.090   23.168   7.8498   23.168   7.8498   23.168   7.8498   90.609   21.341   90.609   21.341 -0.000000 0.000000 
1 1 1    0   30   29 f   89.592   15.389   22.900   7.8970   22.900   7.8970   22.900   7.8970   89.592   21.764   89.592   21.764 -0.000000 0.000000 
1 1 1    0   30   30 f   34.005   15.657   0.4417   8.5118   0.4417   8.5118   0.4417   8.5118   34.005   22.142   34.005   22.142 -0.000000 0.000000 
1 1 1    0   30   31 o  153.230   21.286   67.476   19.184   67.476   19.184   67.476   19.184  153.230   30.103  153.230   30.103 -0.000000 0.000000 
1 1 1    0   30   32 o   80.518   22.700   23.638   11.690   23.638   11.690   23.638   11.690   80.518   32.103   80.518   32.103 -0.000000 0.000000 
1 1 1    0   30   33 o   85.501   16.187   21.755   7.9043   21.755   7.9043   21.755   7.9043   85.501   22.891   85.501   22.891 -0.000000 0.000000 
1 1 1    0   30   34 o  102.169   15.126   29.393   8.9984   29.393   8.9984   29.393   8.9984  102.169   21.391  102.169   21.391 -0.000000 0.000000 
1 1 1    0   30   35 o  194.641   25.068  117.488   29.081  117.488   29.081  117.488   29.081  194.641   35.452  194.641   35.452 -0.000000 0.000000 
1 1 1    0   30   36 f   34.759   14.851   3.6028   6.2554   3.6028   6.2554   3.6028   6.2554   34.759   21.002   34.759   21.002 -0.000000 0.000000 
1 1 1    0   30   37 o   52.253   20.557   11.757   10.516   11.757   10.516   11.757   10.516   52.253   29.072   52.253   29.072 -0.000000 0.000000 
1 1 1    0   30   38 o   52.305   20.339   12.161   10.160   12.161   10.160   12.161   10.160   52.305   28.764   52.305   28.764 -0.000000 0.000000 
1 1 1    0   30   39 o  111.272   23.190   43.046   14.824   43.046   14.824   43.046   14.824  111.272   32.796  111.272   32.796 -0.000000 0.000000 
1 1 1    0   30   40 f   42.185   18.005   7.0551   9.1760   7.0551   9.1760   7.0551   9.1760   42.185   25.463   42.185   25.463 -0.000000 0.000000 
1 1 1    0   30   43 o   48.364   20.095   11.453   10.868   11.453   10.868   11.453   10.868   48.364   28.419   48.364   28.419 -0.000000 0.000000 
1 1 1    0   30   44 o   40.660   17.664   7.0302   9.1790   7.0302   9.1790   7.0302   9.1790   40.660   24.981   40.660   24.981 -0.000000 0.000000 
1 1 1    0   31    1 o  287.691   17.177  209.278   32.126  209.278   32.126  209.278   32.126  287.691   24.292  287.691   24.292 -0.000000 0.000000 
1 1 1    0   31    2 o   92.328   12.417   22.476   6.7805   22.476   6.7805   22.476   6.7805   92.328   17.560   92.328   17.560 -0.000000 0.000000 
1 1 1    0   31    3 o  329.993   18.815  278.115   40.422  278.115   40.422  278.115   40.422  329.993   26.608  329.993   26.608 -0.000000 0.000000 
1 1 1    0   31    4 o   77.439   14.716   17.205   6.5091   17.205   6.5091   17.205   6.5091   77.439   20.812   77.439   20.812 -0.000000 0.000000 
1 1 1    0   31    5 o  199.713   12.177   98.153   15.798   98.153   15.798   98.153   15.798  199.713   17.221  199.713   17.221 -0.000000 0.000000 
1 1 1    0   31    6 o  106.136   11.686   28.839   7.6054   28.839   7.6054   28.839   7.6054  106.136   16.526  106.136   16.526 -0.000000 0.000000 
1 1 1    0   31    7 o  279.609   28.768  223.089   49.881  223.089   49.881  223.089   49.881  279.609   40.684  279.609   40.684 -0.000000 0.000000 
1 1 1    0   31    8 o  160.693   19.003   69.213   18.486   69.213   18.486   69.213   18.486  160.693   26.874  160.693   26.874 -0.000000 0.000000 
1 1 1    0   31    9 o  221.356   14.133  122.182   20.289  122.182   20.289  122.182   20.289  221.356   19.987  221.356   19.987 -0.000000 0.000000 
1 1 1    0   31   10 o  214.689   14.733  115.758   20.454  115.758   20.454  115.758   20.454  214.689   20.836  214.689   20.836 -0.000000 0.000000 
1 1 1    0   31   11 o   30.592   13.171   2.2141   5.0001   2.2141   5.0001   2.2141   5.0001   30.592   18.627   30.592   18.627 -0.000000 0.000000 
1 1 1    0   31   12 o   37.714   14.427   5.0027   5.0269   5.0027   5.0269   5.0027   5.0269   37.714   20.403   37.714   20.403 -0.000000 0.000000 
1 1 1    0   31   13 o   47.272   17.277   8.2236   6.9424   8.2236   6.9424   8.2236   6.9424   47.272   24.433   47.272   24.433 -0.000000 0.000000 
1 1 1    0   31   14 f  246.777   11.512  148.617   18.589  148.617   18.589  148.617   18.589  246.777   16.281  246.777   16.281 -0.000000 0.000000 
1 1 1    0   31   15 o   44.797   16.193   7.3446   6.0589   7.3446   6.0589   7.3446   6.0589   44.797   22.900   44.797   22.900 -0.000000 0.000000 
1 1 1    0   31   16 o  197.781   13.906   98.336   17.766   98.336   17.766   98.336   17.766  197.781   19.666  197.781   19.666 -0.000000 0.000000 
1 1 1    0   31   17 o  237.836   15.481  143.321   23.861  143.321   23.861  143.321   23.861  237.836   21.893  237.836   21.893 -0.000000 0.000000 
1 1 1    0   31   18 o  267.134   17.132  183.135   29.675  183.135   29.675  183.135   29.675  267.134   24.228  267.134   24.228 -0.000000 0.000000 
1 1 1    0   31   19 o  146.932   11.503   53.944   10.821   53.944   10.821   53.944   10.821  146.932   16.267  146.932   16.267 -0.000000 0.000000 
1 1 1    0   31   20 o  199.214   11.017   97.394   14.302   97.394   14.302   97.394   14.302  199.214   15.580  199.214   15.580 -0.000000 0.000000 
1 1 1    0   31   21 o   41.248   15.377   6.2011   5.5822   6.2011   5.5822   6.2011   5.5822   41.248   21.746   41.248   21.746 -0.000000 0.000000 
1 1 1    0   31   22 o  147.585   12.259   55.060   11.526   55.060   11.526   55.060   11.526  147.585   17.337  147.585   17.337 -0.000000 0.000000 
1 1 1    0   31   23 o  114.712   12.352   34.111   8.7208   34.111   8.7208   34.111   8.7208  114.712   17.469  114.712   17.469 -0.000000 0.000000 
1 1 1    0   31   24 o  203.541   23.506  119.482   29.089  119.482   29.089  119.482   29.089  203.541   33.243  203.541   33.243 -0.000000 0.000000 
1 1 1    0   31   25 o   72.293   21.812   19.393   10.618   19.393   10.618   19.393   10.618   72.293   30.846   72.293   30.846 -0.000000 0.000000 
1 1 1    0   31   26 o  153.866   12.213   59.948   12.018   59.948   12.018   59.948   12.018  153.866   17.272  153.866   17.272 -0.000000 0.000000 
1 1 1    0   31   27 o   67.679   16.524   14.748   6.6588   14.748   6.6588   14.748   6.6588   67.679   23.369   67.679   23.369 -0.000000 0.000000 
1 1 1    0   31   28 o   99.829   13.582   26.973   8.0033   26.973   8.0033   26.973   8.0033   99.829   19.208   99.829   19.208 -0.000000 0.000000 
1 1 1    0   31   29 o  119.945   12.788   37.794   9.4569   37.794   9.4569   37.794   9.4569  119.945   18.085  119.945   18.085 -0.000000 0.000000 
1 1 1    0   31   30 o   48.184   18.644   9.3243   8.4888   9.3243   8.4888   9.3243   8.4888   48.184   26.367   48.184   26.367 -0.000000 0.000000 
1 1 1    0   31   31 o  118.922   13.314   37.786   9.6794   37.786   9.6794   37.786   9.6794  118.922   18.828  118.922   18.828 -0.000000 0.000000 
1 1 1    0   31   32 o   30.558   13.674   1.6000   5.9337   1.6000   5.9337   1.6000   5.9337   30.558   19.337   30.558   19.337 -0.000000 0.000000 
1 1 1    0   31   33 o   26.001   12.246  -1.0171   5.6888  -1.0171   5.6888  -1.0171   5.6888   26.001   17.319   26.001   17.319 -0.000000 0.000000 
1 1 1    0   31   34 o   28.517   13.701  -2.5546   7.8167  -2.5546   7.8167  -2.5546   7.8167   28.517   19.376   28.517   19.376 -0.000000 0.000000 
1 1 1    0   31   35 o   30.001   14.556  -3.6389   9.3003  -3.6389   9.3003  -3.6389   9.3003   30.001   20.585   30.001   20.585 -0.000000 0.000000 
1 1 1    0   31   36 o   40.264   17.420   5.8172   8.8433   5.8172   8.8433   5.8172   8.8433   40.264   24.635   40.264   24.635 -0.000000 0.000000 
1 1 1    0   31   39 o   37.637   16.762   4.4561   8.7997   4.4561   8.7997   4.4561   8.7997   37.637   23.705   37.637   23.705 -0.000000 0.000000 
1 1 1    0   31   40 o   44.619   18.362   9.0046   8.9296   9.0046   8.9296   9.0046   8.9296   44.619   25.967   44.619   25.967 -0.000000 0.000000 
1 1 1    0   31   41 o   43.275   18.636   8.5793   10.016   8.5793   10.016   8.5793   10.016   43.275   26.355   43.275   26.355 -0.000000 0.000000 
1 1 1    0   32    0 o   78.730   19.403   19.492   9.1283   19.492   9.1283   19.492   9.1283   78.730   27.440   78.730   27.440 -0.000000 0.000000 
1 1 1    0   32    1 o  399.281   25.377  439.294   65.725  439.294   65.725  439.294   65.725  399.281   35.888  399.281   35.888 -0.000000 0.000000 
1 1 1    0   32    2 o  176.958   12.992   78.457   14.820   78.457   14.820   78.457   14.820  176.958   18.374  176.958   18.374 -0.000000 0.000000 
1 1 1    0   32    3 o  163.214   12.206   66.526   12.830   66.526   12.830   66.526   12.830  163.214   17.262  163.214   17.262 -0.000000 0.000000 
1 1 1    0   32    4 o   48.706   15.409   8.3861   5.2806   8.3861   5.2806   8.3861   5.2806   48.706   21.791   48.706   21.791 -0.000000 0.000000 
1 1 1    0   32    5 o  142.753   11.425   50.898   10.423   50.898   10.423   50.898   10.423  142.753   16.157  142.753   16.157 -0.000000 0.000000 
1 1 1    0   32    6 o  173.504   11.829   74.696   13.275   74.696   13.275   74.696   13.275  173.504   16.729  173.504   16.729 -0.000000 0.000000 
1 1 1    0   32    7 o  138.948   18.540   52.855   15.257   52.855   15.257   52.855   15.257  138.948   26.220  138.948   26.220 -0.000000 0.000000 
1 1 1    0   32    8 o  112.666   20.915   37.657   13.456   37.657   13.456   37.657   13.456  112.666   29.578  112.666   29.578 -0.000000 0.000000 
1 1 1    0   32    9 f  285.315   30.999  244.580   54.352  244.580   54.352  244.580   54.352  285.315   43.839  285.315   43.839 -0.000000 0.000000 
1 1 1    0   32   10 o   44.003   18.459   6.1298   9.3265   6.1298   9.3265   6.1298   9.3265   44.003   26.105   44.003   26.105 -0.000000 0.000000 
1 1 1    0   32   11 o  231.398   25.313  152.246   35.955  152.246   35.955  152.246   35.955  231.398   35.798  231.398   35.798 -0.000000 0.000000 
1 1 1    0   32   12 o  159.248   20.629   70.416   19.560   70.416   19.560   70.416   19.560  159.248   29.174  159.248   29.174 -0.000000 0.000000 
1 1 1    0   32   13 o   44.070   18.078   6.5714   8.6134   6.5714   8.6134   6.5714   8.6134   44.070   25.566   44.070   25.566 -0.000000 0.000000 
1 1 1    0   32   14 o   31.676   14.796  -0.9368   8.0272  -0.9368   8.0272  -0.9368   8.0272   31.676   20.925   31.676   20.925 -0.000000 0.000000 
1 1 1    0   32   15 o  138.182   12.004   48.310   10.519   48.310   10.519   48.310   10.519  138.182   16.976  138.182   16.976 -0.000000 0.000000 
1 1 1    0   32   16 o   38.021   13.673   5.2496   4.3075   5.2496   4.3075   5.2496   4.3075   38.021   19.337   38.021   19.337 -0.000000 0.000000 
1 1 1    0   32   17 o  215.649   11.161  114.658   15.711  114.658   15.711  114.658   15.711  215.649   15.783  215.649   15.783 -0.000000 0.000000 
1 1 1    0   32   18 o  229.896   12.112  131.473   18.169  131.473   18.169  131.473   18.169  229.896   17.129  229.896   17.129 -0.000000 0.000000 
1 1 1    0   32   19 o   71.150   12.784   14.382   5.1979   14.382   5.1979   14.382   5.1979   71.150   18.079   71.150   18.079 -0.000000 0.000000 
1 1 1    0   32   20 o   36.564   13.791   4.8368   4.5328   4.8368   4.5328   4.8368   4.5328   36.564   19.504   36.564   19.504 -0.000000 0.000000 
1 1 1    0   32   21 o  118.497   9.5861   35.016   7.2536   35.016   7.2536   35.016   7.2536  118.497   13.557  118.497   13.557 -0.000000 0.000000 
1 1 1    0   32   22 o   78.264   15.159   18.015   6.7797   18.015   6.7797   18.015   6.7797   78.264   21.438   78.264   21.438 -0.000000 0.000000 
1 1 1    0   32   23 o   34.019   14.099   3.6816   5.3252   3.6816   5.3252   3.6816   5.3252   34.019   19.939   34.019   19.939 -0.000000 0.000000 
1 1 1    0   32   24 o   91.478   21.145   27.629   11.326   27.629   11.326   27.629   11.326   91.478   29.904   91.478   29.904 -0.000000 0.000000 
1 1 1    0   32   25 o   44.942   17.526   7.8310   7.5679   7.8310   7.5679   7.8310   7.5679   44.942   24.785   44.942   24.785 -0.000000 0.000000 
1 1 1    0   32   26 o   38.710   16.617   4.7318   7.9057   4.7318   7.9057   4.7318   7.9057   38.710   23.500   38.710   23.500 -0.000000 0.000000 
1 1 1    0   32   27 f  196.046   14.124  100.479   17.865  100.479   17.865  100.479   17.865  196.046   19.974  196.046   19.974 -0.000000 0.000000 
1 1 1    0   32   28 o   23.005   11.092  -2.5146   5.2156  -2.5146   5.2156  -2.5146   5.2156   23.005   15.686   23.005   15.686 -0.000000 0.000000 
1 1 1    0   32   29 o   48.413   18.342   9.4330   8.0523   9.4330   8.0523   9.4330   8.0523   48.413   25.940   48.413   25.940 -0.000000 0.000000 
1 1 1    0   32   30 o   29.890   13.919  -0.0001   7.0159  -0.0001   7.0159  -0.0001   7.0159   29.890   19.685   29.890   19.685 -0.000000 0.000000 
1 1 1    0   32   31 o   60.361   19.905   14.967   8.8416   14.967   8.8416   14.967   8.8416   60.361   28.149   60.361   28.149 -0.000000 0.000000 
1 1 1    0   32   32 o   63.140   20.128   16.240   9.0092   16.240   9.0092   16.240   9.0092   63.140   28.465   63.140   28.465 -0.000000 0.000000 
1 1 1    0   32   35 o   19.027   9.9112 -23.9384   8.9476 -23.9384   8.9476 -23.9384   8.9476   19.027   14.017   19.027   14.017 -0.000000 0.000000 
1 1 1    0   32   36 f   85.714   24.094   30.624   13.181   30.624   13.181   30.624   13.181   85.714   34.075   85.714   34.075 -0.000000 0.000000 
1 1 1    0   32   37 o   68.926   22.188   21.465   10.959   21.465   10.959   21.465   10.959   68.926   31.379   68.926   31.379 -0.000000 0.000000 
1 1 1    0   32   38 o   58.550   17.752   13.760   7.0276   13.760   7.0276   13.760   7.0276   58.550   25.105   58.550   25.105 -0.000000 0.000000 
1 1 1    0   33    1 o   84.054   14.541   19.985   6.9972   19.985   6.9972   19.985   6.9972   84.054   20.564   84.054   20.564 -0.000000 0.000000 
1 1 1    0   33    2 o   86.890   21.056   24.829   10.866   24.829   10.866   24.829   10.866   86.890   29.778   86.890   29.778 -0.000000 0.000000 
1 1 1    0   33    3 o   89.293   20.831   25.796   10.920   25.796   10.920   25.796   10.920   89.293   29.459   89.293   29.459 -0.000000 0.000000 
1 1 1    0   33    4 o   34.042   15.518   0.9745   8.0835   0.9745   8.0835   0.9745   8.0835   34.042   21.946   34.042   21.946 -0.000000 0.000000 
1 1 1    0   33    5 o   39.579   17.540   3.4193   9.5023   3.4193   9.5023   3.4193   9.5023   39.579   24.805   39.579   24.805 -0.000000 0.000000 
1 1 1    0   33    6 o   74.018   22.687   20.564   11.460   20.564   11.460   20.564   11.460   74.018   32.084   74.018   32.084 -0.000000 0.000000 
1 1 1    0   33    8 o   96.679   22.660   30.954   12.879   30.954   12.879   30.954   12.879   96.679   32.045   96.679   32.045 -0.000000 0.000000 
1 1 1    0   33    9 o  146.731   22.155   63.112   18.876   63.112   18.876   63.112   18.876  146.731   31.332  146.731   31.332 -0.000000 0.000000 
1 1 1    0   33   10 o  151.108   12.035   57.818   11.627   57.818   11.627   57.818   11.627  151.108   17.020  151.108   17.020 -0.000000 0.000000 
1 1 1    0   33   11 o   76.397   15.059   17.236   6.5786   17.236   6.5786   17.236   6.5786   76.397   21.297   76.397   21.297 -0.000000 0.000000 
1 1 1    0   33   15 o  135.127   20.099   52.454   15.804   52.454   15.804   52.454   15.804  135.127   28.424  135.127   28.424 -0.000000 0.000000 
1 1 1    0   33   16 o   58.286   13.889   10.672   4.7829   10.672   4.7829   10.672   4.7829   58.286   19.642   58.286   19.642 -0.000000 0.000000 
1 1 1    0   33   17 o   46.360   14.368   7.6257   4.5948   7.6257   4.5948   7.6257   4.5948   46.360   20.320   46.360   20.320 -0.000000 0.000000 
1 1 1    0   33   18 o   65.785   19.287   15.681   8.3433   15.681   8.3433   15.681   8.3433   65.785   27.275   65.785   27.275 -0.000000 0.000000 
1 1 1    0   33   19 o  105.664   12.494   29.644   7.9921   29.644   7.9921   29.644   7.9921  105.664   17.670  105.664   17.670 -0.000000 0.000000 
1 1 1    0   33   20 o   55.192   16.408   10.949   6.0235   10.949   6.0235   10.949   6.0235   55.192   23.204   55.192   23.204 -0.000000 0.000000 
1 1 1    0   33   21 o  164.139   9.9990   67.218   10.662   67.218   10.662   67.218   10.662  164.139   14.141  164.139   14.141 -0.000000 0.000000 
1 1 1    0   33   22 o   22.840   10.937  -1.9401   4.8966  -1.9401   4.8966  -1.9401   4.8966   22.840   15.467   22.840   15.467 -0.000000 0.000000 
1 1 1    0   33   23 o   14.343   7.3964  -9.3264   4.1607  -9.3264   4.1607  -9.3264   4.1607   14.343   10.460   14.343   10.460 -0.000000 0.000000 
1 1 1    0   33   24 o   49.427   18.720   9.8656   8.3849   9.8656   8.3849   9.8656   8.3849   49.427   26.474   49.427   26.474 -0.000000 0.000000 
1 1 1    0   33   25 o   27.880   13.308  -1.9843   7.1385  -1.9843   7.1385  -1.9843   7.1385   27.880   18.820   27.880   18.820 -0.000000 0.000000 
1 1 1    0   33   26 o   82.958   21.186   24.848   10.650   24.848   10.650   24.848   10.650   82.958   29.961   82.958   29.961 -0.000000 0.000000 
1 1 1    0   33   30 o   37.712   17.051   3.8971   9.5161   3.8971   9.5161   3.8971   9.5161   37.712   24.114   37.712   24.114 -0.000000 0.000000 
1 1 1    0   33   32 o  113.553   24.189   47.110   15.828   47.110   15.828   47.110   15.828  113.553   34.209  113.553   34.209 -0.000000 0.000000 
1 1 1    0   33   33 f   72.340   20.520   20.815   9.5348   20.815   9.5348   20.815   9.5348   72.340   29.019   72.340   29.019 -0.000000 0.000000 
1 1 1    0   33   34 f   39.628   15.476   6.6702   5.9110   6.6702   5.9110   6.6702   5.9110   39.628   21.886   39.628   21.886 -0.000000 0.000000 
1 1 1    0   34    2 o   21.025   10.609  -9.0146   6.5899  -9.0146   6.5899  -9.0146   6.5899   21.025   15.004   21.025   15.004 -0.000000 0.000000 
1 1 1    0   34    3 o  137.816   20.907   55.451   16.719   55.451   16.719   55.451   16.719  137.816   29.566  137.816   29.566 -0.000000 0.000000 
1 1 1    0   34    4 o   42.060   17.667   5.8757   8.5637   5.8757   8.5637   5.8757   8.5637   42.060   24.985   42.060   24.985 -0.000000 0.000000 
1 1 1    0   34    5 o  170.865   21.995   84.563   22.401   84.563   22.401   84.563   22.401  170.865   31.106  170.865   31.106 -0.000000 0.000000 
1 1 1    0   34    6 o   28.262   13.549  -2.8602   7.5583  -2.8602   7.5583  -2.8602   7.5583   28.262   19.161   28.262   19.161 -0.000000 0.000000 
1 1 1    0   34    7 o   38.515   16.621   4.2631   8.0054   4.2631   8.0054   4.2631   8.0054   38.515   23.506   38.515   23.506 -0.000000 0.000000 
1 1 1    0   34    8 o   32.910   15.046   0.9476   7.6760   0.9476   7.6760   0.9476   7.6760   32.910   21.278   32.910   21.278 -0.000000 0.000000 
1 1 1    0   34    9 o   78.145   21.441   21.957   10.539   21.957   10.539   21.957   10.539   78.145   30.322   78.145   30.322 -0.000000 0.000000 
1 1 1    0   34   10 o   54.636   19.812   12.093   9.0873   12.093   9.0873   12.093   9.0873   54.636   28.019   54.636   28.019 -0.000000 0.000000 
1 1 1    0   34   11 o   53.583   19.986   11.812   9.4337   11.812   9.4337   11.812   9.4337   53.583   28.264   53.583   28.264 -0.000000 0.000000 
1 1 1    0   34   12 o   75.594   21.859   21.525   10.760   21.525   10.760   21.525   10.760   75.594   30.913   75.594   30.913 -0.000000 0.000000 
1 1 1    0   34   13 o   74.717   21.955   21.290   10.806   21.290   10.806   21.290   10.806   74.717   31.050   74.717   31.050 -0.000000 0.000000 
1 1 1    0   34   14 o   77.402   22.085   22.504   11.026   22.504   11.026   22.504   11.026   77.402   31.234   77.402   31.234 -0.000000 0.000000 
1 1 1    0   34   15 o   50.206   19.361   10.263   9.1204   10.263   9.1204   10.263   9.1204   50.206   27.381   50.206   27.381 -0.000000 0.000000 
1 1 1    0   34   16 o   49.245   19.289   9.7567   9.2129   9.7567   9.2129   9.7567   9.2129   49.245   27.278   49.245   27.278 -0.000000 0.000000 
1 1 1    0   34   17 o   96.501   21.436   30.777   12.005   30.777   12.005   30.777   12.005   96.501   30.315   96.501   30.315 -0.000000 0.000000 
1 1 1    0   34   18 o  139.078   21.003   58.135   16.961   58.135   16.961   58.135   16.961  139.078   29.703  139.078   29.703 -0.000000 0.000000 
1 1 1    0   34   19 o   98.960   20.863   32.124   11.880   32.124   11.880   32.124   11.880   98.960   29.505   98.960   29.505 -0.000000 0.000000 
1 1 1    0   34   20 o   27.668   13.155  -1.5216   6.8473  -1.5216   6.8473  -1.5216   6.8473   27.668   18.604   27.668   18.604 -0.000000 0.000000 
1 1 1    0   34   22 f   26.718   12.723  -1.5074   6.4531  -1.5074   6.4531  -1.5074   6.4531   26.718   17.994   26.718   17.994 -0.000000 0.000000 
1 1 1    0   34   23 o   30.013   12.988   2.5568   4.9196   2.5568   4.9196   2.5568   4.9196   30.013   18.368   30.013   18.368 -0.000000 0.000000 
1 1 1    0   34   24 o   17.868   8.9318  -4.7166   4.2966  -4.7166   4.2966  -4.7166   4.2966   17.868   12.631   17.868   12.631 -0.000000 0.000000 
1 1 1    0   34   25 o   27.690   13.037  -0.4940   6.4374  -0.4940   6.4374  -0.4940   6.4374   27.690   18.437   27.690   18.437 -0.000000 0.000000 
1 1 1    0   34   26 o   54.569   19.098   12.863   8.2881   12.863   8.2881   12.863   8.2881   54.569   27.008   54.569   27.008 -0.000000 0.000000 
1 1 1    0   34   27 o  106.618   20.413   37.715   12.433   37.715   12.433   37.715   12.433  106.618   28.868  106.618   28.868 -0.000000 0.000000 
1 1 1    0   34   28 o   26.257   11.791   1.2565   4.4556   1.2565   4.4556   1.2565   4.4556   26.257   16.675   26.257   16.675 -0.000000 0.000000 
1 1 1    0   34   29 o   65.933   14.527   14.064   5.5491   14.064   5.5491   14.064   5.5491   65.933   20.544   65.933   20.544 -0.000000 0.000000 
1 1 1    0   34   30 o   19.904   9.5893  -1.6040   3.8829  -1.6040   3.8829  -1.6040   3.8829   19.904   13.561   19.904   13.561 -0.000000 0.000000 
1 1 1    0   35    1 o  115.426   12.445   35.084   8.8394   35.084   8.8394   35.084   8.8394  115.426   17.600  115.426   17.600 -0.000000 0.000000 
1 1 1    0   35    2 o  145.185   12.397   54.476   11.436   54.476   11.436   54.476   11.436  145.185   17.532  145.185   17.532 -0.000000 0.000000 
1 1 1    0   35    3 o   20.604   10.146  -4.0813   4.9556  -4.0813   4.9556  -4.0813   4.9556   20.604   14.349   20.604   14.349 -0.000000 0.000000 
1 1 1    0   35    4 o   45.403   15.785   7.8446   5.6473   7.8446   5.6473   7.8446   5.6473   45.403   22.324   45.403   22.324 -0.000000 0.000000 
1 1 1    0   35    5 o  154.765   13.173   62.393   12.958   62.393   12.958   62.393   12.958  154.765   18.630  154.765   18.630 -0.000000 0.000000 
1 1 1    0   35    6 o   51.825   16.381   9.9321   5.9683   9.9321   5.9683   9.9321   5.9683   51.825   23.167   51.825   23.167 -0.000000 0.000000 
1 1 1    0   35    7 o   26.700   12.157   0.5861   4.9412   0.5861   4.9412   0.5861   4.9412   26.700   17.192   26.700   17.192 -0.000000 0.000000 
1 1 1    0   35    8 o   52.140   16.381   10.075   5.9693   10.075   5.9693   10.075   5.9693   52.140   23.166   52.140   23.166 -0.000000 0.000000 
1 1 1    0   35    9 o   76.030   20.333   20.733   9.5802   20.733   9.5802   20.733   9.5802   76.030   28.755   76.030   28.755 -0.000000 0.000000 
1 1 1    0   35   10 o  164.969   13.175   71.454   13.893   71.454   13.893   71.454   13.893  164.969   18.632  164.969   18.632 -0.000000 0.000000 
1 1 1    0   35   11 o   40.854   15.699   6.5366   5.9775   6.5366   5.9775   6.5366   5.9775   40.854   22.202   40.854   22.202 -0.000000 0.000000 
1 1 1    0   35   12 o  124.865   12.570   41.545   9.7656   41.545   9.7656   41.545   9.7656  124.865   17.777  124.865   17.777 -0.000000 0.000000 
1 1 1    0   35   13 o   24.796   12.256  -5.7208   7.4158  -5.7208   7.4158  -5.7208   7.4158   24.796   17.332   24.796   17.332 -0.000000 0.000000 
1 1 1    0   35   14 o   20.778   10.605 -12.1097   7.4400 -12.1097   7.4400 -12.1097   7.4400   20.778   14.997   20.778   14.997 -0.000000 0.000000 
1 1 1    0   35   15 o   47.370   16.093   8.8380   5.8217   8.8380   5.8217   8.8380   5.8217   47.370   22.759   47.370   22.759 -0.000000 0.000000 
1 1 1    0   35   16 o  167.883   13.484   75.561   14.464   75.561   14.464   75.561   14.464  167.883   19.070  167.883   19.070 -0.000000 0.000000 
1 1 1    0   35   17 o   52.855   17.828   11.382   7.1316   11.382   7.1316   11.382   7.1316   52.855   25.213   52.855   25.213 -0.000000 0.000000 
1 1 1    0   35   18 o  157.204   12.931   66.208   12.961   66.208   12.961   66.208   12.961  157.204   18.288  157.204   18.288 -0.000000 0.000000 
1 1 1    0   35   19 o   25.202   11.695   0.0556   4.8893   0.0556   4.8893   0.0556   4.8893   25.202   16.540   25.202   16.540 -0.000000 0.000000 
1 1 1    0   35   20 o   26.463   11.801   1.4038   4.3776   1.4038   4.3776   1.4038   4.3776   26.463   16.689   26.463   16.689 -0.000000 0.000000 
1 1 1    0   35   21 o   38.665   14.216   5.9347   4.7219   5.9347   4.7219   5.9347   4.7219   38.665   20.105   38.665   20.105 -0.000000 0.000000 
1 1 1    0   35   22 f  187.622   14.328   96.679   17.243   96.679   17.243   96.679   17.243  187.622   20.263  187.622   20.263 -0.000000 0.000000 
1 1 1    0   35   23 o   51.597   14.282   9.4186   4.6594   9.4186   4.6594   9.4186   4.6594   51.597   20.197   51.597   20.197 -0.000000 0.000000 
1 1 1    0   35   24 o   48.635   14.227   8.6669   4.5431   8.6669   4.5431   8.6669   4.5431   48.635   20.121   48.635   20.121 -0.000000 0.000000 
1 1 1    0   35   25 o   39.856   14.958   6.6520   5.3087   6.6520   5.3087   6.6520   5.3087   39.856   21.154   39.856   21.154 -0.000000 0.000000 
1 1 1    0   35   26 o  162.385   10.149   68.529   10.697   68.529   10.697   68.529   10.697  162.385   14.353  162.385   14.353 -0.000000 0.000000 
1 1 1    0   36    0 o   91.715   20.700   26.976   11.056   26.976   11.056   26.976   11.056   91.715   29.275   91.715   29.275 -0.000000 0.000000 
1 1 1    0   36    1 o   25.480   11.604   0.6850   4.5053   0.6850   4.5053   0.6850   4.5053   25.480   16.410   25.480   16.410 -0.000000 0.000000 
1 1 1    0   36    2 o   47.950   18.408   9.9244   8.2107   9.9244   8.2107   9.9244   8.2107   47.950   26.033   47.950   26.033 -0.000000 0.000000 
1 1 1    0   36    3 o   39.533   16.345   6.0751   7.1258   6.0751   7.1258   6.0751   7.1258   39.533   23.115   39.533   23.115 -0.000000 0.000000 
1 1 1    0   36    4 o   60.643   15.780   12.706   5.8510   12.706   5.8510   12.706   5.8510   60.643   22.316   60.643   22.316 -0.000000 0.000000 
1 1 1    0   36    5 o   24.051   11.307  -0.6251   4.8120  -0.6251   4.8120  -0.6251   4.8120   24.051   15.991   24.051   15.991 -0.000000 0.000000 
1 1 1    0   36    6 o   34.282   15.994   1.0612   9.3322   1.0612   9.3322   1.0612   9.3322   34.282   22.618   34.282   22.618 -0.000000 0.000000 
1 1 1    0   36    7 o  112.283   12.568   34.324   8.6275   34.324   8.6275   34.324   8.6275  112.283   17.774  112.283   17.774 -0.000000 0.000000 
1 1 1    0   36    8 o   39.592   15.041   6.3005   5.4283   6.3005   5.4283   6.3005   5.4283   39.592   21.271   39.592   21.271 -0.000000 0.000000 
1 1 1    0   36    9 o   96.590   14.429   26.974   8.1047   26.974   8.1047   26.974   8.1047   96.590   20.406   96.590   20.406 -0.000000 0.000000 
1 1 1    0   36   10 o   24.425   11.643  -1.3784   5.4281  -1.3784   5.4281  -1.3784   5.4281   24.425   16.465   24.425   16.465 -0.000000 0.000000 
1 1 1    0   36   11 o  161.683   13.400   70.849   13.805   70.849   13.805   70.849   13.805  161.683   18.951  161.683   18.951 -0.000000 0.000000 
1 1 1    0   36   12 o   54.489   16.612   11.348   6.1487   11.348   6.1487   11.348   6.1487   54.489   23.493   54.489   23.493 -0.000000 0.000000 
1 1 1    0   36   13 o   38.293   14.985   5.8716   5.5542   5.8716   5.5542   5.8716   5.5542   38.293   21.192   38.293   21.192 -0.000000 0.000000 
1 1 1    0   36   14 o   23.321   11.654  -7.0190   7.2951  -7.0190   7.2951  -7.0190   7.2951   23.321   16.481   23.321   16.481 -0.000000 0.000000 
1 1 1    0   36   15 o   52.529   19.634   12.577   9.1195   12.577   9.1195   12.577   9.1195   52.529   27.767   52.529   27.767 -0.000000 0.000000 
1 1 1    0   36   16 o   30.685   14.456  -0.0001   7.9376  -0.0001   7.9376  -0.0001   7.9376   30.685   20.444   30.685   20.444 -0.000000 0.000000 
1 1 1    0   36   17 o   27.280   12.583   0.6833   5.5329   0.6833   5.5329   0.6833   5.5329   27.280   17.794   27.280   17.794 -0.000000 0.000000 
1 1 1    0   36   18 o   31.848   14.117   2.9457   6.1604   2.9457   6.1604   2.9457   6.1604   31.848   19.965   31.848   19.965 -0.000000 0.000000 
1 1 1    0   36   19 o   19.719   9.6207  -2.4480   4.1974  -2.4480   4.1974  -2.4480   4.1974   19.719   13.606   19.719   13.606 -0.000000 0.000000 
1 1 1    0   36   20 o   54.472   14.446   10.472   4.8566   10.472   4.8566   10.472   4.8566   54.472   20.430   54.472   20.430 -0.000000 0.000000 
1 1 1    0   37    1 o   34.449   14.272   4.4956   5.4527   4.4956   5.4527   4.4956   5.4527   34.449   20.183   34.449   20.183 -0.000000 0.000000 
1 1 1    0   37    2 f   34.358   14.248   4.4661   5.4452   4.4661   5.4452   4.4661   5.4452   34.358   20.150   34.358   20.150 -0.000000 0.000000 
1 1 1    0   37    3 o   47.753   15.387   8.9559   5.2708   8.9559   5.2708   8.9559   5.2708   47.753   21.760   47.753   21.760 -0.000000 0.000000 
1 1 1    0   37    4 o   22.245   10.675  -1.5838   4.7168  -1.5838   4.7168  -1.5838   4.7168   22.245   15.097   22.245   15.097 -0.000000 0.000000 
1 1 1    0   37    5 o   43.337   18.519   8.3814   9.7302   8.3814   9.7302   8.3814   9.7302   43.337   26.189   43.337   26.189 -0.000000 0.000000 
1 1 1    0   37    6 o   56.185   16.090   11.821   5.8464   11.821   5.8464   11.821   5.8464   56.185   22.755   56.185   22.755 -0.000000 0.000000 
1 1 1    0   37    7 o   93.150   15.423   26.468   8.2525   26.468   8.2525   26.468   8.2525   93.150   21.812   93.150   21.812 -0.000000 0.000000 
1 1 1    0   37    8 o  152.493   13.182   64.366   12.755   64.366   12.755   64.366   12.755  152.493   18.643  152.493   18.643 -0.000000 0.000000 
1 1 1    0   37    9 o  128.922   13.637   46.952   10.854   46.952   10.854   46.952   10.854  128.922   19.285  128.922   19.285 -0.000000 0.000000 
1 1 1    0   37   10 o   32.580   14.132   3.6075   5.8545   3.6075   5.8545   3.6075   5.8545   32.580   19.986   32.580   19.986 -0.000000 0.000000 
1 1 1    1    0    1 o  151.138   6.8947   54.221   6.8215   54.221   6.8215   54.221   6.8215  151.138   9.7506  151.138   9.7506 -0.000000 0.000000 
1 1 1    1    0    2 o  187.040   11.894   84.271   14.430   84.271   14.430   84.271   14.430  187.040   16.821  187.040   16.821 -0.000000 0.000000 
1 1 1    1    0    3 o  162.922   9.7727   63.551   10.349   63.551   10.349   63.551   10.349  162.922   13.821  162.922   13.821 -0.000000 0.000000 
1 1 1    1    0    4 o  271.531   15.260  176.630   26.989  176.630   26.989  176.630   26.989  271.531   21.581  271.531   21.581 -0.000000 0.000000 
1 1 1    1    0    5 o  162.411   10.347   63.288   10.899   63.288   10.899   63.288   10.899  162.411   14.633  162.411   14.633 -0.000000 0.000000 
1 1 1    1    0    6 o   34.633   8.4317   3.6505   1.7368   3.6505   1.7368   3.6505   1.7368   34.633   11.924   34.633   11.924 -0.000000 0.000000 
1 1 1    1    0    7 o   21.580   7.3928   1.6029   1.2311   1.6029   1.2311   1.6029   1.2311   21.580   10.455   21.580   10.455 -0.000000 0.000000 
1 1 1    1    0    8 o   82.436   8.2537   16.840   4.2370   16.840   4.2370   16.840   4.2370   82.436   11.673   82.436   11.673 -0.000000 0.000000 
1 1 1    1    0    9 o  132.149   7.4452   41.630   6.4078   41.630   6.4078   41.630   6.4078  132.149   10.529  132.149   10.529 -0.000000 0.000000 
1 1 1    1    0   10 o  139.938   7.8740   46.669   7.1765   46.669   7.1765   46.669   7.1765  139.938   11.135  139.938   11.135 -0.000000 0.000000 
1 1 1    1    0   11 o   52.897   6.4767   7.1011   2.0608   7.1011   2.0608   7.1011   2.0608   52.897   9.1594   52.897   9.1594 -0.000000 0.000000 
1 1 1    1    0   12 o  588.574   30.507  831.023  117.211  831.023  117.211  831.023  117.211  588.574   43.144  588.574   43.144 -0.000000 0.000000 
1 1 1    1    0   13 o  134.168   7.8438   42.952   6.8462   42.952   6.8462   42.952   6.8462  134.168   11.093  134.168   11.093 -0.000000 0.000000 
1 1 1    1    0   14 o  316.270   14.461  237.363   29.938  237.363   29.938  237.363   29.938  316.270   20.451  316.270   20.451 -0.000000 0.000000 
1 1 1    1    0   15 f  527.169   43.689  695.544  146.755  695.544  146.755  695.544  146.755  527.169   61.786  527.169   61.786 -0.000000 0.000000 
1 1 1    1    0   16 o  426.255   23.578  437.101   65.491  437.101   65.491  437.101   65.491  426.255   33.345  426.255   33.345 -0.000000 0.000000 
1 1 1    1    0   17 o  197.066   18.599   96.208   23.016   96.208   23.016   96.208   23.016  197.066   26.304  197.066   26.304 -0.000000 0.000000 
1 1 1    1    0   18 o  280.163   16.354  188.499   29.808  188.499   29.808  188.499   29.808  280.163   23.128  280.163   23.128 -0.000000 0.000000 
1 1 1    1    0   19 o  328.323   18.757  259.261   40.091  259.261   40.091  259.261   40.091  328.323   26.526  328.323   26.526 -0.000000 0.000000 
1 1 1    1    0   20 o  602.604   33.303  888.627  130.777  888.627  130.777  888.627  130.777  602.604   47.098  602.604   47.098 -0.000000 0.000000 
1 1 1    1    0   21 o  821.429   36.555  1652.41  196.657  1652.41  196.657  1652.41  196.657  821.429   51.696  821.429   51.696 -0.000000 0.000000 
1 1 1    1    0   22 o   97.461   8.9133   23.342   5.4769   23.342   5.4769   23.342   5.4769   97.461   12.605   97.461   12.605 -0.000000 0.000000 
1 1 1    1    0   23 o  269.387   12.775  172.696   22.510  172.696   22.510  172.696   22.510  269.387   18.066  269.387   18.066 -0.000000 0.000000 
1 1 1    1    0   24 o  325.951   18.630  255.277   39.533  255.277   39.533  255.277   39.533  325.951   26.347  325.951   26.347 -0.000000 0.000000 
1 1 1    1    0   25 o  285.068   13.394  193.241   24.980  193.241   24.980  193.241   24.980  285.068   18.942  285.068   18.942 -0.000000 0.000000 
1 1 1    1    0   26 o  427.509   19.126  435.011   53.544  435.011   53.544  435.011   53.544  427.509   27.048  427.509   27.048 -0.000000 0.000000 
1 1 1    1    0   27 o  435.145   24.101  454.269   68.336  454.269   68.336  454.269   68.336  435.145   34.083  435.145   34.083 -0.000000 0.000000 
1 1 1    1    0   28 o  143.137   8.6057   48.953   8.0059   48.953   8.0059   48.953   8.0059  143.137   12.170  143.137   12.170 -0.000000 0.000000 
1 1 1    1    0   29 o  837.984   46.287  1717.56  252.764  1717.56  252.764  1717.56  252.764  837.984   65.460  837.984   65.460 -0.000000 0.000000 
1 1 1    1    0   30 o  145.879   8.8993   50.883   8.4335   50.883   8.4335   50.883   8.4335  145.879   12.586  145.879   12.586 -0.000000 0.000000 
1 1 1    1    0   31 o  293.196   17.086  205.752   32.592  205.752   32.592  205.752   32.592  293.196   24.163  293.196   24.163 -0.000000 0.000000 
1 1 1    1    0   32 o  406.704   22.857  396.631   60.548  396.631   60.548  396.631   60.548  406.704   32.325  406.704   32.325 -0.000000 0.000000 
1 1 1    1    0   33 o   36.581   14.491   4.2073   5.2669   4.2073   5.2669   4.2073   5.2669   36.581   20.493   36.581   20.493 -0.000000 0.000000 
1 1 1    1    0   34 o   47.428   19.556   6.3300   10.159   6.3300   10.159   6.3300   10.159   47.428   27.656   47.428   27.656 -0.000000 0.000000 
1 1 1    1    0   35 o   15.633   8.0803 -12.6904   5.1498 -12.6904   5.1498 -12.6904   5.1498   15.633   11.427   15.633   11.427 -0.000000 0.000000 
1 1 1    1    0   36 o  229.032   14.439  126.010   21.457  126.010   21.457  126.010   21.457  229.032   20.419  229.032   20.419 -0.000000 0.000000 
1 1 1    1    0   37 o   32.659   15.094  -1.0045   8.0236  -1.0045   8.0236  -1.0045   8.0236   32.659   21.347   32.659   21.347 -0.000000 0.000000 
1 1 1    1    0   38 f   26.620   12.424  -1.2469   5.6408  -1.2469   5.6408  -1.2469   5.6408   26.620   17.570   26.620   17.570 -0.000000 0.000000 
1 1 1    1    0   39 o  445.455   20.119  474.461   58.680  474.461   58.680  474.461   58.680  445.455   28.453  445.455   28.453 -0.000000 0.000000 
1 1 1    1    0   40 o  478.259   21.003  547.080   65.802  547.080   65.802  547.080   65.802  478.259   29.702  478.259   29.702 -0.000000 0.000000 
1 1 1    1    0   41 o  246.038   11.766  144.099   18.932  144.099   18.932  144.099   18.932  246.038   16.640  246.038   16.640 -0.000000 0.000000 
1 1 1    1    0   42 o  148.266   10.054   53.006   9.6445   53.006   9.6445   53.006   9.6445  148.266   14.219  148.266   14.219 -0.000000 0.000000 
1 1 1    1    0   43 o  511.442   45.583  697.260  147.432  697.260  147.432  697.260  147.432  511.442   64.464  511.442   64.464 -0.000000 0.000000 
1 1 1    1    0   44 o  203.062   13.828   99.932   18.163   99.932   18.163   99.932   18.163  203.062   19.556  203.062   19.556 -0.000000 0.000000 
1 1 1    1    0   45 o  479.890   27.223  570.999   85.066  570.999   85.066  570.999   85.066  479.890   38.499  479.890   38.499 -0.000000 0.000000 
1 1 1    1    0   46 o  142.554   9.6038   49.057   8.8599   49.057   8.8599   49.057   8.8599  142.554   13.582  142.554   13.582 -0.000000 0.000000 
1 1 1    1    0   47 o  124.975   9.2469   37.914   7.4466   37.914   7.4466   37.914   7.4466  124.975   13.077  124.975   13.077 -0.000000 0.000000 
1 1 1    1    0   48 o   71.552   22.587   17.833   11.347   17.833   11.347   17.833   11.347   71.552   31.943   71.552   31.943 -0.000000 0.000000 
1 1 1    1    0   49 o   36.421   15.533   3.1934   6.8189   3.1934   6.8189   3.1934   6.8189   36.421   21.967   36.421   21.967 -0.000000 0.000000 
1 1 1    1    0   50 o  113.028   21.990   36.935   14.205   36.935   14.205   36.935   14.205  113.028   31.098  113.028   31.098 -0.000000 0.000000 
1 1 1    1    0   51 o   98.344   22.458   29.703   12.896   29.703   12.896   29.703   12.896   98.344   31.760   98.344   31.760 -0.000000 0.000000 
1 1 1    1    0   52 o  133.298   21.136   49.006   16.256   49.006   16.256   49.006   16.256  133.298   29.890  133.298   29.890 -0.000000 0.000000 
1 1 1    1    0   53 o   40.379   17.856   2.6921   9.7938   2.6921   9.7938   2.6921   9.7938   40.379   25.252   40.379   25.252 -0.000000 0.000000 
1 1 1    1    0   54 o   27.069   13.049  -3.9657   7.2120  -3.9657   7.2120  -3.9657   7.2120   27.069   18.454   27.069   18.454 -0.000000 0.000000 
1 1 1    1    0   55 o  167.890   21.596   75.858   21.615   75.858   21.615   75.858   21.615  167.890   30.542  167.890   30.542 -0.000000 0.000000 
1 1 1    1    0   56 o  216.555   23.092  124.326   30.831  124.326   30.831  124.326   30.831  216.555   32.657  216.555   32.657 -0.000000 0.000000 
1 1 1    1    0   57 o   39.838   18.010   1.4280   10.609   1.4280   10.609   1.4280   10.609   39.838   25.469   39.838   25.469 -0.000000 0.000000 
1 1 1    1    0   58 o   86.327   24.334   25.627   13.434   25.627   13.434   25.627   13.434   86.327   34.414   86.327   34.414 -0.000000 0.000000 
1 1 1    1    0   59 o   65.039   19.828   14.823   8.7597   14.823   8.7597   14.823   8.7597   65.039   28.041   65.039   28.041 -0.000000 0.000000 
1 1 1    1    0   60 o  128.760   14.717   42.957   11.543   42.957   11.543   42.957   11.543  128.760   20.813  128.760   20.813 -0.000000 0.000000 
1 1 1    1    0   61 o   71.511   20.035   17.408   9.1252   17.408   9.1252   17.408   9.1252   71.511   28.333   71.511   28.333 -0.000000 0.000000 
1 1 1    1    0   62 o   31.333   14.725  -1.6292   8.1453  -1.6292   8.1453  -1.6292   8.1453   31.333   20.824   31.333   20.824 -0.000000 0.000000 
1 1 1    1    0   63 o   46.481   18.085   7.8178   8.0371   7.8178   8.0371   7.8178   8.0371   46.481   25.575   46.481   25.575 -0.000000 0.000000 
1 1 1    1    0   64 o   26.812   13.558 -15.4210   10.991 -15.4210   10.991 -15.4210   10.991   26.812   19.174   26.812   19.174 -0.000000 0.000000 
1 1 1    1    0   65 o   80.597   24.905   24.709   13.806   24.709   13.806   24.709   13.806   80.597   35.220   80.597   35.220 -0.000000 0.000000 
1 1 1    1    0   66 o   49.492   21.189   8.2746   12.787   8.2746   12.787   8.2746   12.787   49.492   29.966   49.492   29.966 -0.000000 0.000000 
1 1 1    1    0   67 o   33.301   16.166  -5.6567   11.506  -5.6567   11.506  -5.6567   11.506   33.301   22.862   33.301   22.862 -0.000000 0.000000 
1 1 1    1    0   68 f   44.793   18.518   7.4576   9.1465   7.4576   9.1465   7.4576   9.1465   44.793   26.189   44.793   26.189 -0.000000 0.000000 
1 1 1    1    0   69 o  128.254   15.018   44.719   11.681   44.719   11.681   44.719   11.681  128.254   21.239  128.254   21.239 -0.000000 0.000000 
1 1 1    1    0   70 o   32.369   14.669   1.7058   7.0929   1.7058   7.0929   1.7058   7.0929   32.369   20.746   32.369   20.746 -0.000000 0.000000 
1 1 1    1    0   71 o   30.818   15.280  -7.8719   11.796  -7.8719   11.796  -7.8719   11.796   30.818   21.610   30.818   21.610 -0.000000 0.000000 
1 1 1    1    0   72 o   45.443   20.034   8.5733   12.237   8.5733   12.237   8.5733   12.237   45.443   28.333   45.443   28.333 -0.000000 0.000000 
1 1 1    1    0   73 o   50.079   18.558   11.223   8.0950   11.223   8.0950   11.223   8.0950   50.079   26.246   50.079   26.246 -0.000000 0.000000 
1 1 1    1    1    0 o  386.700   20.905  363.031   52.711  363.031   52.711  363.031   52.711  386.700   29.564  386.700   29.564 -0.000000 0.000000 
1 1 1    1    1    1 o  401.706   22.471  395.049   42.084  364.738   59.514  425.362   59.516  385.561   33.028  417.852   30.477 -32.29102 44.94110 
1 1 1    1    1    2 o  379.088   18.306  344.132   32.431  340.413   45.866  347.851   45.863  376.988   26.033  381.187   25.744 -4.199066 36.61240 
1 1 1    1    1    3 o  566.711   28.509  779.826   74.255  828.653  117.412  747.278   95.861  579.269   43.370  554.152   37.014 25.11664 57.01760 
1 1 1    1    1    4 o  438.697   21.682  458.352   43.645  473.093   69.012  448.526   56.343  443.612   33.287  433.783   27.792 9.828888 43.36417 
1 1 1    1    1    5 o  914.644   47.354  2172.44  198.212  2212.84  313.403  2145.50  255.889  912.026   73.528  917.262   59.692 -5.236084 94.70734 
1 1 1    1    1    6 o  194.161   9.6143   88.607   8.7239   87.882   12.338   89.332   12.337  193.362   13.653  194.960   13.540 -1.598679 19.22852 
1 1 1    1    1    7 o  260.320   12.774  156.843   15.329  140.925   19.785  180.742   24.244  244.266   17.332  276.374   18.770 -32.10840 25.54768 
1 1 1    1    1    8 o  292.418   13.137  202.305   17.900  220.286   25.317  184.333   25.311  305.572   17.728  279.264   19.393 26.30753 26.27495 
1 1 1    1    1    9 o  506.957   22.272  615.244   52.540  550.699   74.300  679.799   74.306  479.712   33.141  534.201   29.763 -54.48862 44.54408 
1 1 1    1    1   10 o  354.539   15.142  296.114   25.050  277.008   35.424  315.224   35.428  343.007   22.098  366.071   20.708 -23.06396 30.28448 
1 1 1    1    1   11 o  646.478   27.760  996.455   83.796  948.349  118.504  1044.56  118.507  630.556   40.213  662.400   38.281 -31.84442 55.52031 
1 1 1    1    1   12 o  537.136   23.299  682.844   58.470  663.975   82.688  701.714   82.689  529.620   33.407  544.653   32.485 -15.03345 46.59730 
1 1 1    1    1   13 o  571.876   28.226  791.343   73.237  728.084  115.792  833.521   94.551  550.987   44.967  592.765   34.130 -41.77899 56.45276 
1 1 1    1    1   14 o  613.462   29.658  894.957   83.614  861.138  107.946  945.683  132.204  600.364   38.472  626.560   45.148 -26.19556 59.31670 
1 1 1    1    1   15 o  424.431   23.030  428.778   45.681  430.319   64.604  427.237   64.601  425.208   32.510  423.655   32.627 1.553070 46.05923 
1 1 1    1    1   16 o  254.188   20.069  173.421   19.072  119.583   38.130  191.383   22.024  223.029   36.582  285.347   16.515 -62.31847 40.13738 
1 1 1    1    1   17 o  256.180   18.320  165.270   18.336  138.758   36.661  174.113   21.174  240.374   32.635  271.987   16.658 -31.61235 36.64011 
1 1 1    1    1   18 o  326.945   22.387  255.798   32.279  253.376   39.538  260.639   55.899  326.143   25.939  327.747   36.494 -1.603638 44.77367 
1 1 1    1    1   19 o  238.378   16.900  133.789   17.812  131.400   21.816  138.567   30.850  235.815   19.796  240.941   27.397 -5.126312 33.80040 
1 1 1    1    1   20 o  697.398   34.125  1226.94  103.404  1146.98  179.102  1266.92  126.644  671.948   57.032  722.847   37.488 -50.89813 68.24993 
1 1 1    1    1   21 o  251.717   10.893  148.540   12.701  152.737   19.408  145.396   16.798  254.717   16.304  248.717   14.451 6.000076 21.78631 
1 1 1    1    1   22 o  231.438   10.045  125.048   10.784  133.985   16.484  118.360   14.259  238.543   14.786  224.334   13.600 14.20905 20.08963 
1 1 1    1    1   23 o  452.086   20.146  489.571   42.526  466.171   60.144  512.967   60.138  441.011   29.181  463.160   27.783 -22.14923 40.29158 
1 1 1    1    1   24 o  502.766   20.775  603.806   48.305  604.634   73.792  603.185   63.899  502.269   31.436  503.263   27.168 -0.9944153 41.54922 
1 1 1    1    1   25 f  406.816   16.653  388.728   31.435  419.382   48.027  365.754   41.578  420.512   24.438  393.119   22.631 27.39340 33.30687 
1 1 1    1    1   26 o  349.057   14.393  285.067   23.295  300.418   35.595  273.567   30.809  357.099   21.328  341.014   19.331 16.08490 28.78541 
1 1 1    1    1   27 o  341.114   15.227  273.764   24.274  276.936   34.338  270.596   34.319  343.102   21.415  339.126   21.654 3.975555 30.45462 
1 1 1    1    1   28 o  796.782   34.809  1532.80  129.619  1531.65  183.315  1533.95  183.303  796.474   49.248  797.091   49.206 -0.6176147 69.61731 
1 1 1    1    1   29 o  462.281   20.297  505.015   43.852  502.863   62.029  507.164   62.002  461.285   28.773  463.278   28.637 -1.992859 40.59470 
1 1 1    1    1   30 o  443.694   18.025  459.940   37.112  498.913   56.702  430.733   49.086  459.845   26.384  427.544   24.566 32.30109 36.05000 
1 1 1    1    1   31 o  206.973   10.658   97.907   9.7910  108.374   17.086   92.789   11.947  214.911   17.011  199.035   12.844 15.87570 21.31549 
1 1 1    1    1   32 o  354.062   15.778  295.093   26.101  287.991   36.936  302.178   36.890  349.773   22.595  358.351   22.027 -8.577393 31.55527 
1 1 1    1    1   33 o  558.095   37.103  792.245   81.195  690.405  162.303  826.239   93.772  526.658   65.941  589.531   34.035 -62.87317 74.20645 
1 1 1    1    1   34 o  276.833   18.261  172.972   22.610  210.303   39.374  154.607   27.617  297.739   28.297  255.928   23.090 41.81035 36.52179 
1 1 1    1    1   35 o  262.957   22.592  165.730   27.592  145.882   39.209  185.203   38.836  246.932   33.975  278.981   29.786 -32.04895 45.18357 
1 1 1    1    1   36 o  532.796   28.309  686.570   70.491  685.488   99.720  687.651   99.660  532.357   40.081  533.236   39.990 -0.8796997 56.61897 
1 1 1    1    1   37 o  166.494   12.037   65.034   9.3476   71.044   13.587   59.633   12.881  173.797   16.727  159.191   17.313 14.60516 24.07368 
1 1 1    1    1   38 o  490.411   22.120  576.108   50.597  535.430   71.561  616.773   71.549  472.665   32.395  508.158   30.128 -35.49283 44.23918 
1 1 1    1    1   39 f  196.717   10.644   91.067   9.7781   88.271   13.950   93.768   13.709  193.717   15.409  199.718   14.688 -6.000381 21.28778 
1 1 1    1    1   40 o  308.781   16.320  230.206   22.804  245.063   29.419  207.837   36.096  322.131   19.541  295.431   26.144 26.70050 32.63948 
1 1 1    1    1   41 o  105.317   15.725   28.998   7.2378   33.384   8.9194   20.541   12.385  118.949   16.045   91.686   27.050 27.26353 31.45053 
1 1 1    1    1   42 o  133.854   12.499   43.090   7.6959   50.033   10.660   35.532   11.122  145.485   15.678  122.223   19.471 23.26154 24.99835 
1 1 1    1    1   43 o  313.497   21.759  235.536   30.252  225.272   37.007  256.213   52.525  305.449   25.924  321.544   34.953 -16.09534 43.51723 
1 1 1    1    1   44 o  189.780   12.508   88.524   10.598   98.342   13.640   73.569   16.835  204.053   14.303  175.506   20.524 28.54709 25.01657 
1 1 1    1    1   45 o  203.503   15.463  101.531   12.600  103.631   14.580   95.335   25.044  209.232   14.910  197.775   27.095 11.45715 30.92681 
1 1 1    1    1   46 o  150.136   12.835   49.453   7.9454   45.014   9.1053   63.625   16.268  137.838   14.134  162.435   21.429 -24.59654 25.67096 
1 1 1    1    1   47 o  170.532   13.479   66.073   9.4180   62.244   10.819   78.051   19.135  161.921   14.297  179.143   22.855 -17.22130 26.95832 
1 1 1    1    1   48 o   68.584   14.878   12.057   4.9557   13.696   5.5960   6.0970   10.669   74.331   16.536   62.838   24.739 11.49329 29.75640 
1 1 1    1    1   49 o  121.727   15.575   37.146   8.1441   35.410   13.943   38.045   10.034  117.493   26.073  125.960   17.045 -8.467247 31.15012 
1 1 1    1    1   50 o   69.184   17.290   9.7924   7.3689   16.097   10.373   3.3701   10.470   80.326   24.981   58.041   23.910 22.28540 34.57934 
1 1 1    1    1   51 o  125.178   15.673   37.657   9.1688   37.657   9.1688   0.0000   0.0000  125.178   15.673  ?   ?       ?      ? 
1 1 1    1    1   52 o  131.869   13.768   41.061   7.8564   38.758   9.3670   46.524   14.427  126.854   15.800  136.884   22.552 -10.03023 27.53604 
1 1 1    1    1   53 o  116.691   15.357   32.710   8.3749   32.710   8.3749   0.0000   0.0000  116.691   15.357  ?   ?       ?      ? 
1 1 1    1    1   54 o  126.235   11.871   29.191   5.9177   19.831   6.6491   64.856   12.979   89.141   16.570  163.329   17.003 -74.18721 23.74195 
1 1 1    1    1   55 o   57.527   16.157   5.1526   6.1259   4.5002   7.4141   6.5562   10.875   52.490   20.636   62.564   24.866 -10.07433 32.31388 
1 1 1    1    1   56 o  152.749   14.855   54.042   10.152   44.810   12.360   73.191   17.800  134.691   19.635  170.808   22.298 -36.11763 29.71062 
1 1 1    1    1   57 o  150.060   14.770   52.397   9.9049   68.903   17.400   44.485   12.047  165.711   22.468  134.408   19.178 31.30292 29.54027 
1 1 1    1    1   58 o  119.982   16.547   35.248   8.6562   47.648   14.772   28.763   10.682  134.920   24.322  105.045   22.441 29.87508 33.09327 
1 1 1    1    1   59 o  147.278   17.056   56.661   10.741   55.571   18.378   57.227   13.238  142.622   28.568  151.933   18.644 -9.310684 34.11287 
1 1 1    1    1   60 o  170.732   15.828   69.959   12.148   91.879   20.997   58.930   14.894  188.671   23.813  152.793   20.857 35.87772 31.65594 
1 1 1    1    1   61 o   59.826   14.878   6.6000   5.9463   14.897   8.2539  -2.3526   8.5740   75.070   22.064   44.581   19.965 30.48981 29.75626 
1 1 1    1    1   62 f   59.796   15.133   6.7467   6.0183   14.455   8.4419  -1.2201   8.5822   73.767   22.466   45.826   20.281 27.94028 30.26622 
1 1 1    1    1   63 o   64.674   17.165   5.7486   7.7959  -4.1575   10.283   19.135   11.954   46.616   21.271   82.732   26.946 -36.11588 34.32977 
1 1 1    1    1   64 o   91.059   18.421   23.128   7.9689   25.584   13.514   21.819   9.8671   93.370   28.422   88.749   23.441 4.620995 36.84135 
1 1 1    1    1   65 f   63.038   18.636   6.4631   9.3673  -0.4375   15.332   10.573   11.833   59.077   26.560   66.999   26.148 -7.922558 37.27131 
1 1 1    1    1   66 o  116.752   28.186   41.551   15.205   41.551   15.205   0.0000   0.0000  116.752   28.186  ?   ?       ?      ? 
1 1 1    1    1   67 o   78.610   18.009   18.367   7.8037   13.269   11.814   22.313   10.394   69.886   26.419   87.335   24.481 -17.44885 36.01727 
1 1 1    1    1   68 o   54.500   15.833   5.4743   6.4890   2.4263   8.6340   9.4307   9.8369   48.436   20.906   60.563   23.783 -12.12717 31.66555 
1 1 1    1    1   69 o   73.495   14.486   15.780   6.0889   4.1253   9.0973   25.238   8.1951   51.562   21.834   95.428   19.043 -43.86579 28.97196 
1 1 1    1    1   70 o   34.035   11.534  -7.5499   5.2777  -9.7929   7.8016  -5.6574   7.1665   33.209   16.110   34.860   16.510 -1.651108 23.06709 
1 1 1    1    1   71 o   51.761   15.088   6.0655   5.8209   9.4826   9.1786   3.7665   7.5285   57.075   22.794   46.447   19.773 10.62870 30.17553 
1 1 1    1    1   72 o   77.221   18.409   20.149   7.3293   30.399   13.560   15.919   8.7115   86.171   28.729   68.270   23.027 17.90137 36.81892 
1 1 1    1    1   73 o   47.556   14.235   4.7043   5.9344  -6.8599   11.641   8.7646   6.8980   41.633   20.069   53.478   20.194 -11.84571 28.47051 
1 1 1    1    2    0 o   20.899   7.0571   1.4998   1.1177   1.4998   1.1177   1.4998   1.1177   20.899   9.9803   20.899   9.9803 -0.000000 0.000000 
1 1 1    1    2    1 o   73.126   7.1392   12.568   2.4292   11.219   3.4363   13.915   3.4344   69.182   10.628   77.071   9.5349 -7.889587 14.27840 
1 1 1    1    2    2 o  128.771   8.7585   38.911   5.2694   37.800   7.4514   40.022   7.4527  126.926   12.562  130.617   12.209 -3.690865 17.51699 
1 1 1    1    2    3 o  124.753   8.7725   36.512   5.1143   36.025   7.2330   36.998   7.2324  123.919   12.489  125.587   12.322 -1.667923 17.54499 
1 1 1    1    2    4 o   94.656   11.162   23.469   4.3044   16.568   7.4608   26.912   5.2699   82.154   19.689  107.159   10.523 -25.00440 22.32442 
1 1 1    1    2    5 o  106.244   7.0228   26.460   3.4869   26.169   4.9289   26.751   4.9335  105.657   9.9818  106.830   9.8814 -1.172646 14.04557 
1 1 1    1    2    6 f  256.732   17.094  151.734   19.608  139.622   24.009  175.996   33.981  242.497   21.184  270.966   26.833 -28.46861 34.18780 
1 1 1    1    2    7 o  222.344   14.858  113.224   14.755  130.447   25.569  104.624   18.067  234.229   23.358  210.460   18.369 23.76834 29.71509 
1 1 1    1    2    8 o  171.850   9.6818   69.573   7.7308   78.233   10.940   60.935   10.926  182.618   12.818  161.082   14.513 21.53632 19.36350 
1 1 1    1    2    9 o   38.881   7.0303   3.6746   1.2831   3.5130   1.8178   3.8351   1.8115   38.066   10.064   39.697   9.8188 -1.630943 14.06067 
1 1 1    1    2   10 o  400.982   17.285  364.495   31.624  274.081   40.816  500.281   50.020  340.955   25.615  461.008   23.216 -120.0533 34.57059 
1 1 1    1    2   11 o  174.967   8.6897   69.365   6.9904   57.071   9.0139   87.916   11.072  156.138   12.353  193.796   12.225 -37.65782 17.37941 
1 1 1    1    2   12 o  337.436   25.788  268.211   40.668  268.211   40.668   0.0000   0.0000  337.436   25.788  ?   ?       ?      ? 
1 1 1    1    2   13 o  560.295   35.714  771.132   79.935  782.971   92.302  735.621  159.861  574.161   34.398  546.429   62.599 27.73132 71.42706 
1 1 1    1    2   14 o  202.077   11.131   96.691   10.246  100.079   13.227   91.609   16.200  206.640   13.697  197.513   17.550 9.126755 22.26202 
1 1 1    1    2   15 o  255.529   14.295  154.432   16.954  133.602   23.963  175.310   23.990  238.068   21.537  272.990   18.804 -34.92278 28.59077 
1 1 1    1    2   16 o  843.680   62.104  1921.29  231.197  2071.94  400.445  1845.96  283.157  847.345  101.121  840.016   72.127 7.328735 124.2081 
1 1 1    1    2   17 o  219.844   18.512  115.159   18.988  122.749   26.861  107.577   26.845  227.226   25.294  212.462   27.036 14.76390 37.02338 
1 1 1    1    2   18 o  343.270   26.280  280.859   42.160  280.859   42.160   0.0000   0.0000  343.270   26.280  ?   ?       ?      ? 
1 1 1    1    2   19 o  313.457   18.778  217.787   26.428  177.259   32.348  299.130   45.828  272.950   25.359  353.964   27.703 -81.01410 37.55693 
1 1 1    1    2   20 o  259.081   14.886  158.698   18.024  157.914   25.490  159.482   25.488  258.434   21.105  259.729   20.998 -1.295044 29.77132 
1 1 1    1    2   21 o  523.319   29.028  671.772   70.968  651.455  100.364  692.090  100.365  515.012   41.698  531.626   40.395 -16.61475 58.05642 
1 1 1    1    2   22 o  220.804   10.629  114.880   10.960  120.137   15.513  109.639   15.488  225.889   14.694  215.719   15.363 10.17030 21.25869 
1 1 1    1    2   23 f  546.061   23.987  719.340   61.213  725.025   86.572  713.656   86.566  548.288   33.785  543.834   34.059 4.453430 47.97361 
1 1 1    1    2   24 o  540.654   23.943  703.680   60.471  680.649   85.518  726.711   85.520  531.539   34.426  549.769   33.285 -18.22943 47.88520 
1 1 1    1    2   25 o  544.632   24.093  712.399   61.268  677.679   86.644  747.123   86.648  530.991   34.915  558.273   33.210 -27.28210 48.18653 
1 1 1    1    2   26 o  165.295   8.7149   64.044   6.7279   61.536   9.5328   66.534   9.4967  162.060   12.586  168.531   12.057 -6.471451 17.42974 
1 1 1    1    2   27 o  331.198   14.716  257.957   22.774  263.801   32.215  252.118   32.201  334.972   20.578  327.425   21.043 7.546936 29.43233 
1 1 1    1    2   28 o  162.167   8.7157   61.643   6.5924   66.369   9.3496   56.969   9.2967  168.368   11.882  155.967   12.754 12.40056 17.43130 
1 1 1    1    2   29 o  498.673   21.645  588.856   50.406  562.411   71.284  615.300   71.285  487.326   31.299  510.020   29.907 -22.69370 43.29000 
1 1 1    1    2   30 o  741.632   32.018  1322.33  110.946  1288.89  156.901  1355.77  156.902  731.984   45.865  751.279   44.687 -19.29565 64.03551 
1 1 1    1    2   31 o  1187.09   52.988  3562.58  293.300  3305.62  414.786  3819.55  414.790  1140.78   77.800  1233.41   71.958 -92.63318 105.9754 
1 1 1    1    2   32 o  456.486   19.939  492.569   42.531  481.871   60.152  503.264   60.144  451.471   28.508  461.500   27.885 -10.02881 39.87885 
1 1 1    1    2   33 o   98.414   12.667   22.971   5.2039   23.701   9.5937   22.667   6.1943   98.477   21.452   98.351   13.476 0.1264267 25.33410 
1 1 1    1    2   34 o  969.222   64.784  2430.03  281.440  3041.73  487.545  2124.32  344.664  1042.86  100.034  895.587   82.347 147.2715 129.5675 
1 1 1    1    2   35 o  688.009   42.307  1147.20  136.034  1147.20  136.034   0.0000   0.0000  688.009   42.307  ?   ?       ?      ? 
1 1 1    1    2   36 o  428.291   30.438  453.399   56.773  467.573   69.544  425.077   98.304  441.778   33.683  414.804   50.709 26.97345 60.87669 
1 1 1    1    2   37 o  241.072   12.903  135.509   14.297  144.111   22.640  129.804   18.438  247.230   19.594  234.915   16.794 12.31584 25.80695 
1 1 1    1    2   38 o  406.759   22.872  397.298   43.371  428.658   61.307  365.878   61.365  423.277   30.992  390.242   33.647 33.03503 45.74500 
1 1 1    1    2   39 o  697.468   39.155  1234.78  127.624  1222.10  180.460  1247.46  180.516  693.586   55.672  701.349   55.073 -7.762024 78.30984 
1 1 1    1    2   40 o  285.025   15.294  196.115   19.719  175.617   31.162  209.804   25.466  271.824   24.530  298.226   18.271 -26.40253 30.58706 
1 1 1    1    2   41 o  402.015   22.244  393.632   41.601  351.427   58.778  435.995   58.888  379.524   33.139  424.506   29.682 -44.98187 44.48826 
1 1 1    1    2   42 o  344.272   17.826  287.248   27.974  294.695   36.110  276.070   44.237  351.095   22.007  337.450   28.050 13.64502 35.65280 
1 1 1    1    2   43 o  315.321   16.785  244.648   23.820  265.186   30.717  213.664   37.728  333.669   19.698  296.973   27.183 36.69614 33.56982 
1 1 1    1    2   44 o  171.909   10.027   69.796   8.0549   71.138   11.410   68.463   11.373  173.571   14.066  170.247   14.293 3.324036 20.05376 
1 1 1    1    2   45 o  225.658   11.363  121.108   11.940  132.695   16.878  109.500   16.894  236.656   15.260  214.660   16.840 21.99635 22.72547 
1 1 1    1    2   46 o   80.148   12.409   17.234   4.6432   8.4303   7.3596   23.056   5.9846   61.554   21.160   98.742   12.968 -37.18853 24.81800 
1 1 1    1    2   47 o  325.949   17.053  255.958   25.590  239.750   33.042  280.252   40.453  314.151   22.505  337.747   25.628 -23.59625 34.10679 
1 1 1    1    2   48 o  126.072   10.208   37.732   5.9550   37.445   7.8758   38.115   9.0994  125.659   13.411  126.485   15.393 -0.8266449 20.41579 
1 1 1    1    2   49 o  240.230   21.957  146.865   24.554  132.390   34.600  161.549   34.850  227.320   32.568  253.141   29.457 -25.82120 43.91402 
1 1 1    1    2   50 o  276.750   25.077  201.764   32.433  201.203   45.971  202.321   45.766  276.239   35.608  277.260   35.319 -1.021851 50.15363 
1 1 1    1    2   51 f   86.114   15.538   18.320   6.0232   18.320   6.0232   0.0000   0.0000   86.114   15.538  ?   ?       ?      ? 
1 1 1    1    2   53 o  121.405   26.843   38.643   14.826   0.0000   0.0000   38.643   14.826  ?   ?   121.405   26.843      ?      ? 
1 1 1    1    2   54 o   99.627   16.651   27.217   7.5525   31.008   9.1954   19.358   13.240  112.778   17.446   86.475   28.367 26.30279 33.30293 
1 1 1    1    2   55 o   38.035   12.357  -5.3517   5.1127  -8.8583   7.2059  -1.7968   7.2554   34.097   16.263   41.972   18.608 -7.875259 24.71335 
1 1 1    1    2   56 o  132.688   14.927   41.006   8.8251   53.833   15.617   34.988   10.697  146.227   22.852  119.149   19.210 27.07826 29.85328 
1 1 1    1    2   57 o  114.904   12.991   33.804   6.4217   36.557   8.1158   29.194   10.502  123.313   14.082  106.495   21.834 16.81844 25.98150 
1 1 1    1    2   58 f  118.486   14.827   31.135   6.9169   27.080   7.8182   45.740   14.838  105.443   15.865  131.529   25.054 -26.08538 29.65489 
1 1 1    1    2   59 o  101.479   17.663   28.002   7.8037   28.946   9.2206   25.617   14.651  106.596   19.215   96.363   29.642 10.23325 35.32508 
1 1 1    1    2   60 o  147.507   13.776   55.372   9.3023   63.608   12.717   45.893   13.642  160.712   16.932  134.301   21.735 26.41046 27.55191 
1 1 1    1    2   61 o   73.275   19.133   12.388   8.9344   6.5538   12.510   18.462   12.764   63.957   26.217   82.593   27.873 -18.63672 38.26547 
1 1 1    1    2   62 o   86.346   17.592   21.759   7.9433   11.347   13.533   27.232   9.8113   71.376   27.934  101.316   21.392 -29.93981 35.18451 
1 1 1    1    2   63 o   72.681   15.398   13.212   6.4463   22.931   9.0583   3.2402   9.1757   92.400   21.398   52.961   22.148 39.43893 30.79604 
1 1 1    1    2   64 o   75.516   22.856   15.570   8.7572   0.0000   0.0000   15.570   8.7572  ?   ?    75.516   22.856      ?      ? 
1 1 1    1    2   66 o  102.827   22.392   29.641   10.456   29.641   10.456   0.0000   0.0000  102.827   22.392  ?   ?       ?      ? 
1 1 1    1    2   67 o   68.854   19.211   12.202   9.2210   14.863   12.358   8.8611   13.850   72.497   27.100   65.211   27.235 7.285576 38.42110 
1 1 1    1    2   68 o   75.087   17.748   17.898   7.3331   14.256   13.266   19.500   8.7996   69.233   27.481   80.941   22.467 -11.70812 35.49646 
1 1 1    1    2   69 o   47.240   14.680   1.2145   6.2557  -7.0467   11.805   4.4402   7.3767   45.237   21.353   49.243   20.152 -4.005814 29.36067 
1 1 1    1    2   70 o   71.307   17.286   13.437   6.4824   26.878   12.412   8.3952   7.6016   87.187   27.360   55.427   21.134 31.75994 34.57164 
1 1 1    1    2   71 o   57.168   14.464   9.0131   6.4006 -11.2885   12.162   16.790   7.5273   41.055   19.962   73.280   20.936 -32.22493 28.92718 
1 1 1    1    2   72 o   70.236   15.665   17.170   6.4710   8.3811   10.105   23.278   8.4248   54.807   23.100   85.666   21.166 -30.85967 31.33034 
1 1 1    1    2   73 o   30.127   10.500 -11.4038   5.2539 -13.8314   8.0681  -9.6164   6.9229   30.305   15.029   29.948   14.669 0.3573723 21.00054 
1 1 1    1    3    0 o  217.101   13.261  113.120   18.701  113.120   18.701  113.120   18.701  217.101   18.754  217.101   18.754 -0.000000 0.000000 
1 1 1    1    3    1 o  154.990   9.0506   55.892   6.4474   59.153   10.200   53.723   8.3202  158.663   13.756  151.318   11.765 7.344772 18.10121 
1 1 1    1    3    2 o  674.162   38.126  1159.78  119.797  1250.30  169.420  1069.27  169.417  702.890   51.574  645.435   56.165 57.45447 76.25212 
1 1 1    1    3    3 o  380.896   20.517  356.144   35.212  250.516   49.788  461.853   49.807  321.537   33.132  440.254   24.207 -118.7169 41.03312 
1 1 1    1    3    4 o  460.938   33.706  542.920   67.606  516.841  117.103  555.958   82.797  445.763   56.211  476.113   37.210 -30.35004 67.41145 
1 1 1    1    3    5 o  494.587   34.670  613.955   75.547  634.782  130.862  603.545   92.522  494.483   56.626  494.690   40.019 -0.2066345 69.34021 
1 1 1    1    3    6 o  303.325   17.162  220.441   24.010  180.142   33.949  260.769   33.961  274.888   26.426  331.762   21.903 -56.87418 34.32331 
1 1 1    1    3    7 o  555.658   36.900  749.670   90.983  717.151  111.426  814.725  157.600  542.527   43.946  568.789   59.288 -26.26154 73.79907 
1 1 1    1    3    8 o  633.636   32.745  974.328   96.563  1073.47  136.566  875.201  136.555  667.112   43.803  600.160   48.685 66.95203 65.48999 
1 1 1    1    3    9 o  951.931   51.964  2272.90  231.179  2270.85  326.935  2274.95  326.937  951.470   73.523  952.392   73.452 -0.9222412 103.9274 
1 1 1    1    3   10 o  508.792   35.486  652.222   77.125  706.390   94.460  543.893  133.581  545.359   37.061  472.226   60.528 73.13284 70.97268 
1 1 1    1    3   11 o  442.387   21.298  462.263   44.033  462.561   62.274  461.965   62.270  442.531   30.111  442.243   30.128 0.2878723 42.59540 
1 1 1    1    3   12 o  561.133   38.820  784.648   94.326  821.536  115.525  710.870  163.378  585.918   42.189  536.348   65.178 49.56989 77.64090 
1 1 1    1    3   13 o  182.599   11.885   73.813   9.7382   94.513   16.906   63.535   11.913  200.610   18.032  164.588   15.488 36.02170 23.77044 
1 1 1    1    3   14 o  640.797   45.805  1047.82  127.377  978.252  220.628  1082.61  156.003  615.646   76.681  665.949   50.125 -50.30304 91.61012 
1 1 1    1    3   15 o  947.566   61.149  2282.15  260.311  3056.61  450.899  1894.99  318.805  1052.21   91.692  842.919   80.927 209.2938 122.2977 
1 1 1    1    3   16 o  373.174   30.092  342.394   51.982  290.441   73.510  394.357   73.518  343.383   45.806  402.965   39.038 -59.58191 60.18430 
1 1 1    1    3   17 o  698.864   89.706  1404.47  292.993  1404.47  292.993   0.0000   0.0000  698.864   89.706  ?   ?       ?      ? 
1 1 1    1    3   18 o  324.057   20.554  248.371   31.129  248.371   31.129   0.0000   0.0000  324.057   20.554  ?   ?       ?      ? 
1 1 1    1    3   19 o  289.553   19.997  198.843   25.563  196.146   31.300  204.245   44.296  287.615   23.286  291.492   32.516 -3.877350 39.99390 
1 1 1    1    3   20 o  353.778   19.640  298.687   32.456  309.760   45.897  287.612   45.901  360.476   27.244  347.080   28.297 13.39600 39.28075 
1 1 1    1    3   21 o  422.546   23.268  433.046   45.846  400.689   64.831  465.414   64.842  406.159   34.154  438.932   31.610 -32.77298 46.53674 
1 1 1    1    3   22 o  459.892   24.669  539.638   49.918  624.588   64.453  412.308   78.910  510.959   26.991  408.825   41.300 102.1343 49.33749 
1 1 1    1    3   23 o  345.425   23.663  287.848   35.901  284.732   62.184  289.407   43.970  342.278   38.874  348.572   26.991 -6.294098 47.32513 
1 1 1    1    3   24 o   86.394   8.8627   19.309   3.1871   23.674   4.1109   12.733   5.0459  100.553   8.7477   72.235   15.416 28.31816 17.72538 
1 1 1    1    3   25 f  166.480   11.863   62.595   8.1477   59.908   9.4145   70.611   16.263  159.854   12.602  173.106   20.102 -13.25266 23.72548 
1 1 1    1    3   26 o  193.021   10.348   85.332   9.2046   75.798   11.867   99.731   14.583  179.822   14.121  206.220   15.131 -26.39769 20.69674 
1 1 1    1    3   27 o  873.046   37.942  1854.79  154.506  1983.79  218.514  1725.81  218.496  904.658   51.683  841.434   55.562 63.22394 75.88390 
1 1 1    1    3   28 o  559.551   23.918  743.950   62.427  796.615   88.298  691.313   88.274  579.684   32.592  539.419   35.016 40.26514 47.83672 
1 1 1    1    3   29 o  465.353   20.351  513.045   44.092  461.984   62.345  564.140   62.366  441.868   30.190  488.839   27.298 -46.97000 40.70199 
1 1 1    1    3   30 o  499.807   21.839  592.180   50.932  630.172   72.036  554.203   72.021  516.068   29.868  483.546   31.870 32.52170 43.67796 
1 1 1    1    3   31 o  223.475   10.818  117.199   11.272  127.369   16.029  107.250   15.853  233.103   14.713  213.848   15.863 19.25523 21.63581 
1 1 1    1    3   32 o  301.935   15.506  214.600   21.440  214.975   27.705  214.040   33.852  302.473   19.599  301.397   24.033 1.076508 31.01106 
1 1 1    1    3   33 o  212.038   14.958  105.950   12.999  105.605   25.452  106.071   15.120  211.428   25.758  212.648   15.214 -1.220001 29.91577 
1 1 1    1    3   34 o  555.967   44.588  784.424  114.651  663.836  162.102  905.128  162.180  509.546   68.071  602.389   57.607 -92.84378 89.17569 
1 1 1    1    3   35 o  514.893   31.045  632.028   74.706  632.028   74.706   0.0000   0.0000  514.893   31.045  ?   ?       ?      ? 
1 1 1    1    3   36 o  268.411   21.783  170.172   27.325  170.172   27.325   0.0000   0.0000  268.411   21.783  ?   ?       ?      ? 
1 1 1    1    3   37 o  375.908   20.405  337.568   35.678  300.080   50.407  375.202   50.505  354.534   30.422  397.281   27.202 -42.74670 40.80993 
1 1 1    1    3   38 o  117.885   12.619   33.265   6.7424   28.382   9.4374   38.354   9.6359  108.086   19.395  127.684   16.148 -19.59790 25.23763 
1 1 1    1    3   39 o  322.250   18.347  247.422   27.599  233.751   39.008  261.125   39.053  313.166   26.652  331.335   25.220 -18.16937 36.69308 
1 1 1    1    3   40 o  382.658   18.920  344.944   33.319  324.720   43.001  375.331   52.708  369.344   24.912  395.972   28.482 -26.62827 37.83944 
1 1 1    1    3   41 o  199.632   11.865   95.509   10.741  100.006   13.822   88.652   17.068  205.963   14.360  193.300   18.893 12.66335 23.73053 
1 1 1    1    3   42 o  316.086   14.755  238.946   21.710  214.891   30.696  263.024   30.710  299.796   21.908  332.376   19.770 -32.58032 29.50965 
1 1 1    1    3   43 o  108.348   9.9507   27.865   4.9981   23.932   7.0905   31.749   7.0466  100.626   15.077  116.071   12.990 -15.44445 19.90147 
1 1 1    1    3   44 o  225.552   11.294  120.630   11.887  128.387   16.823  112.895   16.799  232.898   15.456  218.206   16.473 14.69212 22.58864 
1 1 1    1    3   45 o   67.672   12.073   11.314   3.8195   10.912   5.4158   11.710   5.3874   66.500   17.272   68.845   16.875 -2.344536 24.14695 
1 1 1    1    3   46 o  218.064   11.422  114.049   11.521   95.963   16.342  131.917   16.244  200.412   17.448  235.717   14.745 -35.30481 22.84377 
1 1 1    1    3   47 o   90.898   10.868   20.241   4.4235   15.488   6.2470   25.020   6.2645   79.004   17.390  102.791   13.040 -23.78721 21.73648 
1 1 1    1    3   48 o  370.582   16.590  337.211   28.512  290.994   40.299  383.534   40.346  343.876   25.076  397.288   21.730 -53.41214 33.18074 
1 1 1    1    3   49 o  136.394   17.724   47.547   10.876   39.410   16.034   54.483   14.802  123.156   28.433  149.632   21.167 -26.47565 35.44722 
1 1 1    1    3   50 o  111.936   17.344   33.082   9.0182   22.328   13.585   41.555   12.059   93.150   28.525  130.721   19.738 -37.57154 34.68793 
1 1 1    1    3   51 o  216.617   19.408  114.633   19.648  114.633   19.648   0.0000   0.0000  216.617   19.408  ?   ?       ?      ? 
1 1 1    1    3   52 o  258.666   34.310  178.206   41.477  178.206   41.477   0.0000   0.0000  258.666   34.310  ?   ?       ?      ? 
1 1 1    1    3   53 o   87.846   15.989   17.759   5.9994   25.407   11.808   15.097   6.9654   98.552   25.458   77.140   19.353 21.41191 31.97855 
1 1 1    1    3   54 o   79.955   15.682   17.149   5.5294   12.839   11.995   18.313   6.2309   74.275   26.879   85.634   16.162 -11.35851 31.36344 
1 1 1    1    3   55 o  153.056   9.8615   56.534   7.0175   50.281   9.9526   62.715   9.8961  144.352   14.753  161.760   13.090 -17.40886 19.72305 
1 1 1    1    3   56 o  119.891   12.623   34.927   7.0445   31.169   9.5429   39.427   10.443  112.778   18.106  127.005   17.593 -14.22736 25.24567 
1 1 1    1    3   57 o   48.294   13.762   3.1066   4.7499   4.7013   5.8905   0.1421   8.0312   49.634   18.679   46.954   20.215 2.680546 27.52384 
1 1 1    1    3   58 o  186.508   11.920   83.859   10.228   77.373   13.161   93.750   16.253  178.095   15.812  194.922   17.841 -16.82643 23.83940 
1 1 1    1    3   59 o  245.495   14.149  149.470   15.903  145.468   20.441  155.606   25.311  242.855   18.010  248.136   21.826 -5.281158 28.29746 
1 1 1    1    3   60 o  169.041   13.186   71.293   10.411   72.763   14.584   69.766   14.867  171.048   18.243  167.035   19.045 4.012909 26.37284 
1 1 1    1    3   61 o  171.209   13.699   73.876   10.950   69.557   15.184   78.555   15.806  165.862   19.588  176.557   19.155 -10.69528 27.39705 
1 1 1    1    3   62 o   76.600   15.021   15.388   5.8688   22.058   8.4037   9.0382   8.1995   91.475   20.197   61.726   22.240 29.74913 30.04269 
1 1 1    1    3   63 o   46.545   14.164   0.7976   5.5944   2.3663   7.4526  -1.2277   8.4677   47.822   19.976   45.269   20.084 2.552856 28.32717 
1 1 1    1    3   64 o   48.957   15.316  -0.0168   6.6001  -5.9356   12.489   2.2767   7.7744   49.658   22.944   48.256   20.296 1.401588 30.63212 
1 1 1    1    3   65 o   93.749   23.885   24.950   10.495   24.950   10.495   0.0000   0.0000   93.749   23.885  ?   ?       ?      ? 
1 1 1    1    3   66 o   92.988   30.698   27.802   15.496   27.802   15.496   0.0000   0.0000   92.988   30.698  ?   ?       ?      ? 
1 1 1    1    3   67 o   39.710   18.440  -4.8011   8.2187   0.0000   0.0000  -4.8011   8.2187  ?   ?    39.710   18.440      ?      ? 
1 1 1    1    3   68 o   64.813   17.586   11.574   7.0974   13.743   12.672   10.583   8.5671   68.071   26.910   61.555   22.648 6.515930 35.17219 
1 1 1    1    3   69 o   78.643   16.168   11.575   7.0613   38.610   12.998   0.2570   8.4106  112.145   25.392   45.142   20.023 67.00273 32.33644 
1 1 1    1    3   70 o   40.893   13.283  -1.9496   5.6853  -0.9521   8.9370  -2.6278   7.3687   43.525   19.848   38.262   17.659 5.262756 26.56660 
1 1 1    1    3   71 o   60.125   15.952   11.332   6.3417   6.7753   9.5636   14.908   8.4722   52.978   22.408   67.272   22.709 -14.29397 31.90304 
1 1 1    1    3   72 o   43.259   13.857  -0.5700   6.4974 -21.7083   14.049   5.1810   7.3282   38.768   19.324   47.749   19.866 -8.981377 27.71415 
1 1 1    1    3   73 o   39.597   13.086  -3.3559   5.9778  -8.0763   7.9066   2.9428   9.1332   33.404   16.207   45.790   20.549 -12.38593 26.17171 
1 1 1    1    4    0 o   22.170   7.6303   1.6920   1.3140   1.6920   1.3140   1.6920   1.3140   22.170   10.791   22.170   10.791 -0.000000 0.000000 
1 1 1    1    4    1 o   94.000   7.1055   20.444   3.0728   22.213   4.8681   19.272   3.9618   97.317   10.703   90.684   9.3481 6.632225 14.21096 
1 1 1    1    4    2 o  137.791   7.9635   45.762   4.9392   39.351   7.8037   50.047   6.3796  129.434   12.901  146.148   9.3403 -16.71399 15.92694 
1 1 1    1    4    3 o  307.250   17.463  211.968   24.089  270.733   41.748  182.635   29.495  336.991   26.508  277.510   22.742 59.48071 34.92650 
1 1 1    1    4    4 o  244.941   28.542  142.990   32.673  142.990   32.673   0.0000   0.0000  244.941   28.542  ?   ?       ?      ? 
1 1 1    1    4    5 o  363.567   23.718  314.626   38.036  320.692   65.890  311.594   46.581  364.819   38.646  362.316   27.509 2.502350 47.43693 
1 1 1    1    4    6 o  385.824   21.065  356.327   37.430  425.120   52.942  287.575   52.926  423.964   26.719  347.685   32.572 76.27887 42.12907 
1 1 1    1    4    7 f  397.327   21.597  374.044   40.059  353.850   56.649  394.243   56.655  386.451   31.366  408.203   29.697 -21.75192 43.19405 
1 1 1    1    4    8 o  384.789   20.109  349.690   36.133  333.786   51.099  365.596   51.101  375.945   29.084  393.634   27.778 -17.68896 40.21752 
1 1 1    1    4    9 o  209.685   12.567  103.386   12.267  114.000   17.352   92.781   17.344  220.511   16.837  198.859   18.662 21.65242 25.13474 
1 1 1    1    4   10 o  317.003   17.430  238.025   25.576  200.453   36.162  275.629   36.178  291.632   26.533  342.374   22.610 -50.74185 34.85956 
1 1 1    1    4   11 o   97.250   8.0744   22.226   3.6461   25.205   5.1677   19.273   5.1451  103.775   10.655   90.726   12.135 13.04935 16.14871 
1 1 1    1    4   12 o  196.758   16.870   91.669   15.403   79.174   21.767  104.202   21.800  183.150   25.431  210.366   22.174 -27.21584 33.74001 
1 1 1    1    4   13 o  897.005   82.828  2341.60  345.454  2561.23  488.542  2121.96  488.551  949.399  110.106  844.611  123.769 104.7877 165.6561 
1 1 1    1    4   14 o  245.221   18.851  152.325   19.507  117.827   33.762  169.612   23.900  222.063   32.532  268.379   19.055 -46.31630 37.70175 
1 1 1    1    4   15 o  184.294   15.830   79.869   13.635   0.0000   0.0000   79.869   13.635  ?   ?   184.294   15.830      ?      ? 
1 1 1    1    4   16 o  332.095   37.743  268.085   58.578  268.085   58.578   0.0000   0.0000  332.095   37.743  ?   ?       ?      ? 
1 1 1    1    4   17 o  193.511   16.587   89.238   14.900  101.246   21.112   77.323   21.031  206.731   21.851  180.291   24.960 26.44034 33.17353 
1 1 1    1    4   18 o   35.587   8.3968   1.7445   1.9869   5.2965   2.8010  -1.8531   2.8189   46.719   12.558   24.455   11.150 22.26391 16.79369 
1 1 1    1    4   19 o  486.657   55.833  599.398  126.986  599.398  126.986   0.0000   0.0000  486.657   55.833  ?   ?       ?      ? 
1 1 1    1    4   20 o  494.988   28.927  559.589   64.296  772.305  111.424  453.404   78.724  559.497   42.612  430.479   39.130 129.0175 57.85332 
1 1 1    1    4   21 o  352.038   23.187  294.450   36.242  281.792   44.378  319.798   62.800  342.720   27.707  361.356   37.186 -18.63666 46.37330 
1 1 1    1    4   22 o  251.014   14.577  150.380   16.844  180.173   23.840  120.687   23.801  276.365   18.458  225.662   22.568 50.70261 29.15477 
1 1 1    1    4   23 o   90.727   8.5110   19.421   3.5829   21.844   5.0299   16.926   5.1049   96.528   11.150   84.925   12.862 11.60305 17.02190 
1 1 1    1    4   24 o   73.042   7.3693   11.977   2.4624   9.6602   3.1357   15.703   3.9772   64.213   10.449   81.871   10.395 -17.65766 14.73852 
1 1 1    1    4   25 o  343.524   17.179  277.679   27.059  273.991   34.932  283.213   42.788  341.004   21.919  346.043   26.458 -5.038849 34.35760 
1 1 1    1    4   26 o  211.179   12.811  105.499   12.494   86.828   17.652  124.245   17.687  192.224   19.649  230.134   16.445 -37.91003 25.62225 
1 1 1    1    4   27 o  503.338   23.914  591.138   55.457  544.907   71.585  660.528   87.701  479.561   31.940  527.115   35.601 -47.55328 47.82868 
1 1 1    1    4   28 o  329.031   15.438  250.793   23.391  233.727   30.183  276.451   37.010  315.358   20.480  342.704   23.108 -27.34644 30.87690 
1 1 1    1    4   29 o  256.192   13.507  154.002   15.853  153.404   20.470  154.898   25.058  255.698   17.130  256.685   20.888 -0.9876404 27.01402 
1 1 1    1    4   30 o  538.459   25.697  683.261   63.632  652.758   82.155  728.996  100.598  524.335   33.526  552.583   38.954 -28.24750 51.39458 
1 1 1    1    4   31 o  707.929   34.823  1212.57  112.784  1214.38  145.614  1209.85  178.307  711.089   43.816  704.769   54.135 6.320007 69.64551 
1 1 1    1    4   32 o  286.181   17.951  194.114   20.752  191.377   41.399  195.033   23.983  284.139   31.176  288.223   17.804 -4.084320 35.90168 
1 1 1    1    4   33 o   58.325   13.737   7.2840   4.5114   4.3959   6.3614   10.206   6.3990   51.189   19.377   65.460   19.476 -14.27174 27.47353 
1 1 1    1    4   34 o  328.467   26.212  259.360   40.196  273.615   57.010  245.269   56.682  337.673   36.125  319.262   37.989 18.41147 52.42334 
1 1 1    1    4   35 o  537.890   41.767  701.429  104.995  701.429  104.995   0.0000   0.0000  537.890   41.767  ?   ?       ?      ? 
1 1 1    1    4   36 o  195.644   13.063   90.190   11.939   92.278   16.786   88.052   16.983  197.964   18.144  193.324   18.797 4.640671 26.12510 
1 1 1    1    4   37 o  664.521   36.403  1099.56  112.560  987.497  159.143  1211.74  159.223  628.428   54.186  700.614   48.628 -72.18518 72.80685 
1 1 1    1    4   38 o  663.132   34.692  1104.74  105.666  883.476  149.380  1326.33  149.489  591.699   54.019  734.565   43.545 -142.8658 69.38480 
1 1 1    1    4   39 o  576.256   27.840  798.923   73.820  753.610   95.285  866.951  116.749  557.707   36.557  594.805   41.999 -37.09821 55.68060 
1 1 1    1    4   40 o  234.497   12.754  130.390   13.699  132.433   17.775  127.401   21.497  237.034   16.046  231.960   19.830 5.073929 25.50842 
1 1 1    1    4   41 o  393.654   17.953  373.063   33.001  390.474   46.675  355.658   46.667  403.115   24.775  384.193   25.991 18.92209 35.90685 
1 1 1    1    4   42 o  355.746   16.668  304.711   27.563  340.524   39.015  269.027   38.945  377.240   22.130  334.253   24.931 42.98630 33.33540 
1 1 1    1    4   43 o  309.472   14.596  229.174   21.029  252.480   29.783  206.005   29.696  325.529   19.577  293.415   21.656 32.11337 29.19277 
1 1 1    1    4   44 o  241.679   11.760  138.867   13.225  154.611   18.800  123.446   18.607  255.456   15.747  227.902   17.470 27.55400 23.51950 
1 1 1    1    4   45 o   71.560   10.892   12.463   3.9014   21.882   5.6205   3.7055   5.4197   96.282   12.491   46.838   17.848 49.44417 21.78481 
1 1 1    1    4   46 o  192.217   10.572   88.286   9.4051  102.618   13.341   74.126   13.261  208.066   13.720  176.369   16.088 31.69681 21.14387 
1 1 1    1    4   47 o  367.268   20.419  336.618   34.916  368.888   49.444  304.519   49.313  385.987   27.409  348.549   30.273 37.43771 40.83787 
1 1 1    1    4   48 o   85.695   12.688   18.217   5.0237   23.725   7.1228   12.765   7.0865   99.753   15.279   71.638   20.261 28.11503 25.37592 
1 1 1    1    4   49 o  156.120   13.620   54.617   9.4503   73.797   16.866   45.841   11.409  174.206   20.716  138.033   17.686 36.17294 27.23921 
1 1 1    1    4   50 o   93.418   17.230   22.730   7.4908   20.660   12.219   23.977   9.4813   89.674   26.966   97.163   21.453 -7.489159 34.45915 
1 1 1    1    4   51 o  126.309   16.963   38.609   10.014   38.609   10.014   0.0000   0.0000  126.309   16.963  ?   ?       ?      ? 
1 1 1    1    4   52 o  131.809   17.670   42.079   10.885   42.079   10.885   0.0000   0.0000  131.809   17.670  ?   ?       ?      ? 
1 1 1    1    4   53 o   68.392   16.214   11.517   5.9083   13.092   6.8860   7.1214   11.503   71.869   19.847   64.915   25.646 6.953476 32.42879 
1 1 1    1    4   54 f   95.649   12.564   23.162   5.3615   20.640   8.3285   24.946   7.0063   89.625   20.348  101.674   14.745 -12.04880 25.12885 
1 1 1    1    4   55 o  108.735   12.174   29.952   5.8231   33.033   7.6148   25.614   9.0367  117.227   13.899  100.242   19.990 16.98528 24.34756 
1 1 1    1    4   56 o   74.378   12.671   14.098   4.3695   12.243   6.2422   15.881   6.1186   69.394   18.787   79.362   17.008 -9.967911 25.34187 
1 1 1    1    4   57 o  109.312   10.690   29.033   5.4147   25.013   7.7037   32.957   7.6123  101.515   16.238  117.109   13.909 -15.59409 21.38027 
1 1 1    1    4   58 o   80.726   12.513   16.662   4.5951   15.034   6.4883   18.300   6.5086   76.474   18.382   84.978   16.982 -8.504379 25.02567 
1 1 1    1    4   59 o  113.398   10.700   31.444   5.6150   35.949   7.8862   26.812   7.9967  122.049   13.826  104.747   16.335 17.30187 21.40083 
1 1 1    1    4   60 o   94.688   12.291   22.770   5.2373   23.600   7.5184   21.987   7.2998   96.429   17.320   92.947   17.445 3.481560 24.58270 
1 1 1    1    4   61 o   90.978   14.052   22.623   5.8439   27.182   7.5336   15.735   9.2600  105.205   15.322   76.751   23.559 28.45350 28.10306 
1 1 1    1    4   62 o   80.536   14.870   17.888   5.6154   19.879   6.9903   14.264   9.4291   87.782   17.651   73.290   23.934 14.49180 29.73903 
1 1 1    1    4   63 o   76.704   15.860   15.579   6.1911   10.951   8.4139   21.042   9.1423   65.502   22.619   87.906   22.237 -22.40474 31.71916 
1 1 1    1    4   64 o   81.057   17.942   14.674   9.5156   34.635   13.541  -4.8000   13.375  109.781   26.658   52.332   24.020 57.44960 35.88373 
1 1 1    1    4   65 o   39.822   19.516 -19.3760   12.309 -19.3760   12.309   0.0000   0.0000   39.822   19.516  ?   ?       ?      ? 
1 1 1    1    4   66 o  130.850   17.295   46.897   9.3863   44.804   11.115   52.098   17.523  131.514   18.084  130.187   29.486 1.327896 34.58968 
1 1 1    1    4   67 o   74.148   17.523   16.221   7.2904   12.505   10.763   19.371   9.9100   67.443   25.275   80.852   24.278 -13.40945 35.04664 
1 1 1    1    4   68 o   69.353   19.613   13.920   8.8921   17.212   17.202   12.719   10.387   72.922   30.396   65.785   24.795 7.136513 39.22650 
1 1 1    1    4   69 o  114.094   18.661   42.772   9.0931   44.841   10.554   36.810   17.913  129.828   17.394   98.360   33.021 31.46831 37.32207 
1 1 1    1    4   70 o  114.850   17.065   42.376   9.0570   51.446   12.886   33.521   12.733  131.936   20.898   97.764   26.984 34.17142 34.12996 
1 1 1    1    4   71 o   45.667   14.553   1.2117   6.5397   2.9092   9.6226  -0.2453   8.9150   47.954   21.336   43.379   19.798 4.575096 29.10675 
1 1 1    1    4   72 o   46.128   15.015   0.4011   7.4073  -7.7115   13.851   3.6507   8.7661   44.962   21.728   47.293   20.729 -2.331070 30.02984 
1 1 1    1    4   73 o   49.023   15.801   2.4404   7.2771  -2.0354   8.7023   12.848   13.270   39.783   18.638   58.263   25.522 -18.48014 31.60243 
1 1 1    1    5    0 f  191.604   12.025   88.004   14.953   88.004   14.953   88.004   14.953  191.604   17.006  191.604   17.006 -0.000000 0.000000 
1 1 1    1    5    1 o  985.660   49.986  2473.98  224.450  2399.05  354.889  2523.93  289.762  963.848   78.784  1007.47   61.541 -43.62299 99.97160 
1 1 1    1    5    2 o  196.931   11.464   97.212   9.8303   68.900   15.532  116.131   12.697  171.198   19.413  222.665   12.201 -51.46655 22.92886 
1 1 1    1    5    3 o  952.200   51.625  2298.98  227.346  2652.65  321.523  1945.33  321.510  1031.67   66.685  872.729   78.826 158.9413 103.2497 
1 1 1    1    5    4 o  329.942   17.599  256.566   27.137  256.495   38.375  256.638   38.379  329.896   24.890  329.988   24.886 -0.9237671E-01 35.19717 
1 1 1    1    5    5 o  1197.20  119.927  4599.48  666.819  5032.03  943.032  4166.95  943.017  1274.50  158.323  1119.89  180.177 154.6066 239.8540 
1 1 1    1    5    6 o  396.725   27.236  384.706   46.811  404.513   57.336  345.108   81.067  413.884   29.642  379.566   45.700 34.31793 54.47106 
1 1 1    1    5    7 o  485.443   25.318  563.651   56.662  458.611   80.122  668.742   80.141  439.134   39.040  531.753   32.248 -92.61945 50.63686 
1 1 1    1    5    8 o  586.188   40.949  878.761  102.034  958.727  124.974  718.890  176.706  633.681   42.199  538.694   70.189 94.98694 81.89771 
1 1 1    1    5    9 o  348.498   19.128  286.829   31.115  303.124   44.007  270.540   44.000  358.500   26.266  338.495   27.814 20.00500 38.25536 
1 1 1    1    5   10 o  670.524   35.901  1097.13  111.392  926.229  157.522  1268.07  157.542  615.983   54.718  725.066   46.492 -109.0830 71.80213 
1 1 1    1    5   11 o  645.263   47.623  1085.73  131.247  929.086  227.321  1164.06  160.745  598.725   81.240  691.800   49.718 -93.07489 95.24611 
1 1 1    1    5   12 o  356.341   24.119  303.489   37.806  303.899   46.299  302.670   65.491  358.024   27.670  354.659   39.512 3.364990 48.23712 
1 1 1    1    5   13 o   48.102   8.9981   5.3377   1.9700   6.6477   3.4107   4.6818   2.4133   52.290   13.767   43.914   11.590 8.376350 17.99612 
1 1 1    1    5   14 o  443.611   35.584  490.463   73.721  510.743  104.262  470.186  104.252  453.391   49.205  433.831   51.419 19.55969 71.16882 
1 1 1    1    5   15 o  280.975   22.877  191.166   29.726  222.162   42.052  160.208   42.026  304.563   29.544  257.388   34.937 47.17514 45.75427 
1 1 1    1    5   16 o  360.629   27.708  310.640   46.698  310.640   46.698   0.0000   0.0000  360.629   27.708  ?   ?       ?      ? 
1 1 1    1    5   17 o  404.201   32.259  404.158   60.863  382.097   86.054  426.237   86.092  392.523   46.910  415.879   44.295 -23.35605 64.51759 
1 1 1    1    5   18 f  517.781   59.877  686.248  144.894  686.248  144.894   0.0000   0.0000  517.781   59.877  ?   ?       ?      ? 
1 1 1    1    5   19 o  653.856   57.909  1200.39  175.828  1331.04  248.671  1069.76  248.646  696.600   76.383  611.112   87.060 85.48792 115.8182 
1 1 1    1    5   20 o  521.417   44.200  722.602  107.637  695.924  152.216  749.284  152.227  510.471   63.804  532.363   61.184 -21.89203 88.39925 
1 1 1    1    5   21 o  188.903   11.628   84.159   10.243   77.672   14.483   90.649   14.488  181.554   17.069  196.252   15.796 -14.69836 23.25683 
1 1 1    1    5   22 o  500.214   40.634  634.854   94.985  643.411  134.329  626.296  134.329  503.875   57.043  496.553   57.885 7.321289 81.26854 
1 1 1    1    5   23 o  431.168   22.943  450.650   45.409  545.935   64.244  355.517   64.193  478.412   28.733  383.923   35.776 94.48856 45.88646 
1 1 1    1    5   24 o  379.688   31.919  395.752   47.129  253.201   81.585  467.146   57.737  315.471   57.453  443.905   27.830 -128.4339 63.83827 
1 1 1    1    5   25 o  211.324   15.394  103.880   14.403  108.895   24.970  101.380   17.631  214.874   24.865  207.775   18.157 7.098465 30.78878 
1 1 1    1    5   26 o  346.341   27.195  286.083   44.005  294.354   62.259  277.827   62.205  351.443   37.906  341.238   39.005 10.20465 54.39011 
1 1 1    1    5   27 o  834.016   44.712  1715.55  174.016  1612.93  246.083  1818.19  246.109  807.688   65.192  860.344   61.209 -52.65625 89.42318 
1 1 1    1    5   28 o  470.124   25.398  525.828   55.776  544.576   78.882  507.084   78.876  478.656   35.262  461.592   36.563 17.06357 50.79640 
1 1 1    1    5   29 o  391.739   20.049  319.623   33.196  269.748   38.318  469.663   66.461  338.359   24.232  445.119   31.948 -106.7599 40.09843 
1 1 1    1    5   30 o  438.918   33.981  465.447   69.637  488.858   98.558  442.107   98.407  450.302   46.832  427.533   49.251 22.76889 67.96239 
1 1 1    1    5   31 o  813.211   43.608  1638.68  164.091  1386.76  232.040  1890.70  232.080  746.916   66.473  879.506   56.462 -132.5898 87.21620 
1 1 1    1    5   32 o  688.515   53.737  1160.11  172.913   0.0000   0.0000  1160.11  172.913  ?   ?   688.515   53.737      ?      ? 
1 1 1    1    5   33 o  447.948   32.917  479.143   68.911   0.0000   0.0000  479.143   68.911  ?   ?   447.948   32.917      ?      ? 
1 1 1    1    5   34 o  438.327   49.310  471.755  101.013  471.755  101.013   0.0000   0.0000  438.327   49.310  ?   ?       ?      ? 
1 1 1    1    5   35 o  448.589   29.724  478.602   59.256  456.308   72.581  523.161  102.613  435.681   35.646  461.496   47.576 -25.81454 59.44888 
1 1 1    1    5   36 o  476.768   26.379  548.449   58.774  554.026   83.130  542.875   83.109  479.268   37.114  474.268   37.496 5.000519 52.75760 
1 1 1    1    5   37 o  222.456   13.789  116.816   14.318  109.619   20.188  124.099   20.308  215.499   20.045  229.413   18.942 -13.91444 27.57882 
1 1 1    1    5   38 o  749.547   42.260  1445.63  147.864  1372.23  209.123  1519.00  209.101  728.594   61.415  770.500   58.068 -41.90607 84.52047 
1 1 1    1    5   39 o  362.169   18.378  314.441   30.355  302.724   48.000  322.250   39.186  355.705   28.874  368.633   22.745 -12.92795 36.75674 
1 1 1    1    5   40 o  497.040   21.113  599.477   48.842  660.098   69.082  538.889   69.063  523.128   28.256  470.953   31.378 52.17480 42.22548 
1 1 1    1    5   41 o  184.325   9.9725   80.369   8.5556   88.513   12.085   72.184   12.114  193.805   13.342  174.846   14.825 18.95963 19.94504 
1 1 1    1    5   42 o  137.120   11.448   44.837   7.2647   51.459   10.210   38.047   10.339  147.596   14.802  126.644   17.468 20.95148 22.89583 
1 1 1    1    5   43 o  138.411   9.8356   46.605   6.0799   31.168   8.6285   61.827   8.5682  114.709   16.095  162.114   11.309 -47.40572 19.67110 
1 1 1    1    5   44 o  112.090   9.5856   29.754   5.0078   27.719   7.1609   31.702   7.0059  108.275   14.151  115.905   12.934 -7.630066 19.17118 
1 1 1    1    5   45 o  220.992   12.601  115.060   12.847  107.315   16.663  126.410   20.171  212.216   16.801  229.768   18.784 -17.55202 25.20180 
1 1 1    1    5   46 f  227.704   12.669  121.867   13.315  110.190   17.252  139.070   20.939  214.687   17.194  240.721   18.612 -26.03337 25.33877 
1 1 1    1    5   47 o  102.127   14.497   26.222   6.6672   28.788   8.7381   22.646   10.314  109.704   17.043   94.550   23.455 15.15349 28.99323 
1 1 1    1    5   48 o  319.264   31.315  314.361   34.693  211.831   69.411  348.506   40.056  260.985   58.370  377.543   22.702 -116.5582 62.62934 
1 1 1    1    5   49 o  165.762   19.480   78.229   12.815   50.120   22.375   91.950   15.632  135.962   35.004  195.563   17.104 -59.60135 38.95957 
1 1 1    1    5   50 o  105.214   14.522   27.060   6.7859   22.973   8.7112   33.367   10.822   95.317   20.184  115.110   20.886 -19.79337 29.04486 
1 1 1    1    5   51 o  223.684   14.628  111.440   13.703   98.402   15.800  151.024   27.530  201.733   16.758  245.634   23.981 -43.90080 29.25665 
1 1 1    1    5   52 o  131.234   11.825   41.671   7.2297   43.313   9.9741   39.854   10.494  134.163   15.907  128.304   17.501 5.858551 23.65030 
1 1 1    1    5   53 o   71.058   15.274   13.591   5.9656   17.937   7.0515   2.6510   11.189   84.174   18.435   57.942   24.358 26.23184 30.54765 
1 1 1    1    5   54 o   60.763   13.847   8.5882   4.6490   4.9415   6.4254   12.595   6.7349   51.249   19.457   70.277   19.708 -19.02777 27.69446 
1 1 1    1    5   55 o  144.424   11.651   53.564   7.3751   63.766   9.6083   38.932   11.506  163.290   12.590  125.559   19.609 37.73182 23.30283 
1 1 1    1    5   56 o  154.076   11.290   58.547   7.8911   62.549   10.247   52.716   12.369  161.429   13.583  146.723   18.038 14.70601 22.58042 
1 1 1    1    5   57 f  105.996   12.243   28.668   5.6948   32.065   7.4509   23.897   8.8313  115.447   13.810   96.545   20.221 18.90234 24.48629 
1 1 1    1    5   58 o  110.637   10.843   29.888   5.5756   33.548   7.9160   26.284   7.8546  117.643   14.398  103.630   16.218 14.01260 21.68685 
1 1 1    1    5   59 o   48.713   13.558   3.4193   4.5671   1.3212   6.1096   6.0764   6.8756   43.114   18.055   54.313   20.231 -11.19897 27.11618 
1 1 1    1    5   60 f   58.640   14.279   7.9657   4.7707   5.8892   6.4160   10.533   7.1348   52.792   19.567   64.488   20.802 -11.69600 28.55885 
1 1 1    1    5   61 o  146.424   11.910   53.263   7.9069   53.354   10.065   53.115   12.778  147.670   14.585  145.178   18.832 2.491730 23.81958 
1 1 1    1    5   62 o   42.234   12.911  -1.2700   4.9578  -6.5909   7.1327   3.7038   6.8962   35.503   16.709   48.965   19.686 -13.46216 25.82118 
1 1 1    1    5   63 o   83.889   14.169   19.154   5.5573   14.397   8.1681   23.254   7.5829   73.059   22.065   94.720   17.783 -21.66090 28.33896 
1 1 1    1    5   64 o   54.265   14.762   2.7110   6.0601  -6.3965   8.3351   12.925   8.8267   39.075   18.285   69.455   23.180 -30.37983 29.52414 
1 1 1    1    5   65 f   75.005   19.784   15.549   9.6364   9.0696   13.769   21.770   13.491   65.775   27.286   84.236   28.655 -18.46149 39.56866 
1 1 1    1    5   66 o   96.753   18.863   26.451   8.7982   19.167   11.193   38.228   14.233   80.613   26.060  112.893   27.280 -32.27959 37.72699 
1 1 1    1    5   67 o  108.362   19.376   31.506   9.1074   53.915   17.571   23.273   10.650  129.149   29.727   87.575   24.862 41.57420 38.75300 
1 1 1    1    5   68 o   73.757   19.495   17.864   9.0915   12.144   17.530   19.969   10.633   68.161   29.604   79.352   25.374 -11.19009 38.99047 
1 1 1    1    5   69 o   69.958   16.493   16.058   7.3511   21.538   8.5784   0.9086   14.263   85.229   21.530   54.686   24.991 30.54284 32.98567 
1 1 1    1    5   70 o   43.493   14.628  -6.6352   7.5633 -10.6831   9.3710   0.9289   12.810   36.115   17.551   50.871   23.408 -14.75636 29.25684 
1 1 1    1    5   71 f   40.803   13.225  -1.0315   5.5908  -2.0309   7.2490   0.4358   8.7834   37.910   17.503   43.696   19.829 -5.785721 26.44916 
1 1 1    1    5   72 o   57.096   17.334   9.7380   8.0242   9.5272   9.7492   10.181   14.128   55.990   23.070   58.202   25.877 -2.211842 34.66736 
1 1 1    1    5   73 o   38.617   12.704  -1.7937   5.4457  -4.0738   7.0945   1.4767   8.4965   34.467   16.353   42.768   19.445 -8.301262 25.40709 
1 1 1    1    6    0 o   79.482   8.4708   15.745   4.1513   15.745   4.1513   15.745   4.1513   79.482   11.980   79.482   11.980 -0.000000 0.000000 
1 1 1    1    6    1 o  271.400   12.456  166.250   15.437  226.872   24.431  125.965   19.916  311.079   16.805  231.721   18.390 79.35866 24.91192 
1 1 1    1    6    2 o  126.830   9.0099   37.668   5.3387   38.814   7.5493   36.522   7.5508  128.763   12.545  124.897   12.936 3.866013 18.01988 
1 1 1    1    6    3 o  194.374   11.666   89.325   10.458   72.706   14.783  105.980   14.798  176.060   17.966  212.689   14.887 -36.62834 23.33246 
1 1 1    1    6    4 o  183.026   11.238   78.522   9.6114   76.901   13.591   80.143   13.594  181.131   16.055  184.921   15.730 -3.789993 22.47670 
1 1 1    1    6    5 o  264.610   21.315  164.537   26.360   0.0000   0.0000  164.537   26.360  ?   ?   264.610   21.315      ?      ? 
1 1 1    1    6    6 o  332.772   18.376  261.254   28.553  248.335   40.377  274.177   40.381  324.464   26.628  341.080   25.333 -16.61639 36.75277 
1 1 1    1    6    7 o  311.355   21.053  226.820   29.025  221.457   35.550  237.543   50.266  306.495   24.818  316.215   34.013 -9.719727 42.10521 
1 1 1    1    6    8 o  221.335   13.021  115.094   13.466  117.938   19.043  112.250   19.045  224.085   18.184  218.585   18.643 5.498993 26.04218 
1 1 1    1    6    9 o  508.887   27.121  620.210   64.499  626.095   91.216  614.325   91.215  511.362   38.168  506.413   38.540 4.948608 54.24168 
1 1 1    1    6   10 o  520.206   27.547  655.259   66.155  540.910   93.546  769.664   93.569  473.161   42.303  567.250   35.295 -94.08820 55.09352 
1 1 1    1    6   11 o  213.349   14.914  104.817   14.167  115.804   24.537   99.322   17.352  221.262   23.729  205.436   18.073 15.82623 29.82767 
1 1 1    1    6   12 o  196.052   14.635   91.139   12.611   89.662   21.833   91.879   15.450  194.498   24.019  197.606   16.729 -3.108322 29.27040 
1 1 1    1    6   13 o  182.190   16.143   79.080   13.629   67.399   19.264   90.788   19.285  168.457   24.469  195.923   21.062 -27.46628 32.28544 
1 1 1    1    6   14 o  293.015   23.728  207.401   32.431  221.830   45.873  192.983   45.857  303.546   32.336  282.484   34.735 21.06155 47.45697 
1 1 1    1    6   15 o  269.196   17.863  164.788   21.550  147.463   26.394  199.430   37.322  249.389   22.645  289.003   27.633 -39.61388 35.72659 
1 1 1    1    6   16 o  126.753   11.533   38.502   6.3722   39.825   7.8006   35.849   11.048  130.259   12.814  123.247   19.180 7.011932 23.06665 
1 1 1    1    6   17 o   48.204   9.9285   5.1303   2.6595   8.9652   3.7436   1.2228   3.7788   60.606   13.556   35.802   14.510 24.80360 19.85697 
1 1 1    1    6   18 o  567.731   48.393  863.665  128.386  876.944  181.562  850.385  181.568  572.737   67.831  562.724   69.040 10.01300 96.78602 
1 1 1    1    6   19 o  837.129  126.762  3611.05  503.568  4487.04  712.182  2735.21  712.123  1053.42  144.660  620.838  208.203 432.5823 253.5245 
1 1 1    1    6   20 o  226.271   15.880  118.607   15.977  112.796   19.554  130.277   27.711  218.563   19.144  233.979   25.341 -15.41609 31.75934 
1 1 1    1    6   21 o   99.591   8.3243   23.272   3.8723   22.497   5.4960   24.036   5.4568   97.937   12.008  101.245   11.532 -3.307991 16.64863 
1 1 1    1    6   22 o  516.032   28.169  649.111   67.587  576.314   95.574  721.933   95.590  485.844   42.092  546.221   37.446 -60.37735 56.33765 
1 1 1    1    6   23 o  564.579   30.207  772.454   79.456  840.288  112.379  704.645  112.357  590.281   40.736  538.877   44.614 51.40393 60.41390 
1 1 1    1    6   24 o  279.610   21.067  195.590   25.066  214.486   30.707  157.858   43.392  301.869   21.766  257.351   36.078 44.51773 42.13491 
1 1 1    1    6   25 o  276.975   14.801  180.371   19.157  177.554   27.092  183.188   27.092  274.799   21.095  279.151   20.766 -4.351868 29.60135 
1 1 1    1    6   26 o  388.208   26.269  362.703   44.617  370.428   54.642  347.249   77.285  395.798   29.540  380.618   43.447 15.18054 52.53835 
1 1 1    1    6   27 o  661.284   35.169  1066.84  106.892  1282.63  151.196  851.213  151.139  731.077   44.252  591.492   54.675 139.5848 70.33899 
1 1 1    1    6   28 o  189.374   13.708   81.095   11.582   94.714   20.174   74.399   14.145  200.676   21.511  178.073   16.997 22.60207 27.41512 
1 1 1    1    6   29 o  289.887   20.267  199.808   25.781  195.370   44.694  202.021   31.562  286.863   33.337  292.911   23.056 -6.047577 40.53328 
1 1 1    1    6   30 o  677.488   49.068  1211.50  140.102  967.376  242.642  1333.59  171.596  612.493   84.766  742.483   49.451 -129.9895 98.13618 
1 1 1    1    6   31 o  428.554   28.249  431.985   53.719  464.373   93.083  415.812   65.778  438.897   45.380  418.211   33.655 20.68573 56.49779 
1 1 1    1    6   32 o  236.640   28.572  132.919   31.598   0.0000   0.0000  132.919   31.598  ?   ?   236.640   28.572      ?      ? 
1 1 1    1    6   33 o  271.403   22.933  173.994   29.088  173.994   29.088   0.0000   0.0000  271.403   22.933  ?   ?       ?      ? 
1 1 1    1    6   34 o  621.396   38.871  931.947  112.885  931.947  112.885   0.0000   0.0000  621.396   38.871  ?   ?       ?      ? 
1 1 1    1    6   35 o  628.068   38.490  953.636  112.979  953.636  112.979   0.0000   0.0000  628.068   38.490  ?   ?       ?      ? 
1 1 1    1    6   36 o  303.985   21.322  223.304   28.326  228.552   34.682  212.790   49.088  310.622   23.891  297.347   35.324 13.27509 42.64438 
1 1 1    1    6   37 f  371.333   20.831  329.970   36.139  339.880   51.124  320.072   51.091  377.038   29.013  365.629   29.899 11.40817 41.66241 
1 1 1    1    6   38 o  681.015   38.679  1174.20  122.872  1251.03  173.771  1097.38  173.764  705.151   52.729  656.879   56.602 48.27240 77.35735 
1 1 1    1    6   39 o  425.914   30.316  485.059   49.345  382.757   98.611  519.232   56.994  385.780   54.695  466.048   26.167 -80.26859 60.63178 
1 1 1    1    6   40 o  338.642   17.368  272.244   27.062  293.101   42.769  258.318   34.947  348.687   26.245  328.597   22.757 20.08948 34.73699 
1 1 1    1    6   41 o  341.790   17.954  283.171   27.999  289.502   36.169  273.706   44.227  347.796   22.252  335.785   28.183 12.01077 35.90886 
1 1 1    1    6   42 f   68.764   12.694   11.533   4.0910   12.503   6.2671   10.813   5.4003   71.223   18.619   66.306   17.259 4.916779 25.38798 
1 1 1    1    6   43 o  221.607   12.754  118.119   12.858  123.091   16.614  110.692   20.306  227.983   15.593  215.232   20.187 12.75136 25.50774 
1 1 1    1    6   44 o  296.467   16.021  216.857   21.425  234.382   27.698  190.747   33.807  313.141   18.926  279.794   25.854 33.34689 32.04101 
1 1 1    1    6   45 f  336.449   19.130  279.178   30.057  291.977   42.583  266.470   42.431  344.527   26.447  328.371   27.649 16.15594 38.26067 
1 1 1    1    6   46 o   92.633   11.590   20.337   4.7930   22.938   7.8057   18.762   6.0726   96.405   17.987   88.860   14.623 7.544525 23.18052 
1 1 1    1    6   47 o  215.740   13.363   96.801   12.125  150.356   24.611   79.635   13.933  248.943   21.154  182.536   16.333 66.40697 26.72539 
1 1 1    1    6   48 o   58.574   13.507   7.7819   4.8044  -0.5489   7.9717   12.534   6.0208   46.316   20.040   70.833   18.116 -24.51685 27.01419 
1 1 1    1    6   49 o  263.696   19.665  176.776   22.616  172.173   39.276  179.059   27.662  257.339   32.657  270.053   21.917 -12.71402 39.33016 
1 1 1    1    6   50 o  127.061   11.733   38.806   6.9512   41.971   10.253   36.113   9.4566  131.822   16.642  122.300   16.545 9.521736 23.46681 
1 1 1    1    6   51 o  178.242   13.740   73.354   10.134   68.807   11.704   86.969   20.253  169.419   14.782  187.066   23.166 -17.64708 27.48067 
1 1 1    1    6   52 o   58.271   12.896   8.1941   4.3242   12.314   5.5255   1.6825   6.9463   69.991   17.050   46.550   19.352 23.44161 25.79101 
1 1 1    1    6   53 o  209.344   13.873  108.181   13.572  107.972   19.126  108.393   19.263  209.170   19.566  209.517   19.673 -0.3468323 27.74562 
1 1 1    1    6   54 o  100.650   11.091   24.282   5.1600   26.311   8.0233   22.850   6.7385  104.006   16.507   97.295   14.819 6.710365 22.18284 
1 1 1    1    6   55 o   73.152   14.268   13.736   5.0966   11.131   7.3494   16.150   7.0740   66.830   21.066   79.475   19.249 -12.64507 28.53633 
1 1 1    1    6   56 o   98.334   13.229   24.403   5.8554   22.907   8.1930   25.964   8.3716   95.038   19.108  101.629   18.299 -6.591011 26.45708 
1 1 1    1    6   57 o  105.503   13.792   28.165   6.5577   19.851   8.9829   37.652   9.5954   86.970   22.065  124.035   16.553 -37.06487 27.58401 
1 1 1    1    6   58 o  217.010   11.244  114.824   11.392  108.240   15.989  121.611   16.234  210.490   16.254  223.531   15.540 -13.04073 22.48721 
1 1 1    1    6   59 o   83.713   13.096   18.058   4.9880   18.857   6.9643   17.217   7.1475   85.853   17.936   81.574   19.087 4.278297 26.19166 
1 1 1    1    6   60 o   93.837   12.377   22.203   5.2291   14.588   7.0988   31.235   7.7318   74.590   19.968  113.084   14.630 -38.49451 24.75361 
1 1 1    1    6   61 o   58.878   13.270   7.7902   4.7749   14.489   6.5303   0.0939   6.9996   74.442   18.774   43.314   18.759 31.12749 26.53992 
1 1 1    1    6   62 o   84.468   14.929   18.259   6.2111   9.7445   8.2382   29.474   9.4544   62.952   22.334  105.983   19.816 -43.03125 29.85774 
1 1 1    1    6   63 o   47.985   14.209   1.6004   5.6644   5.8536   7.2126  -5.2446   9.1500   53.457   20.537   42.513   19.641 10.94467 28.41747 
1 1 1    1    6   64 o   56.117   16.692   3.1530   7.1218   8.9173   12.215   0.1841   8.7661   64.901   26.162   47.332   20.738 17.56966 33.38435 
1 1 1    1    6   65 o   54.829   16.874   2.5567   7.4178   4.7041   13.821   1.6879   8.7912   60.779   26.342   48.879   21.097 11.89953 33.74873 
1 1 1    1    6   66 o   77.542   17.329   18.075   6.9428   19.866   8.0654   12.953   13.642   84.714   20.576   70.369   27.888 14.34451 34.65717 
1 1 1    1    6   67 f   79.673   17.845   19.266   7.1713   21.906   12.423   17.946   8.7824   81.793   27.499   77.553   22.750 4.240898 35.68950 
1 1 1    1    6   68 o  159.603   19.828   78.403   11.779   81.670   24.566   77.428   13.423  147.559   35.953  171.646   16.733 -24.08620 39.65592 
1 1 1    1    6   69 o   49.356   14.711   4.0450   5.6725   6.8551   9.0990   2.2586   7.2548   54.192   22.303   44.520   19.190 9.672745 29.42266 
1 1 1    1    6   70 o   52.700   15.503   6.7540   6.3525   4.4868   9.9675   8.3048   8.2437   50.716   22.170   54.683   21.677 -3.966896 31.00619 
1 1 1    1    6   71 o   46.463   14.140   2.4053   5.6606  -2.2700   7.4311   8.8685   8.7371   37.992   17.604   54.933   22.133 -16.94112 28.28014 
1 1 1    1    6   72 o   55.899   14.120   5.6017   5.6530  -4.8169   7.3875   20.321   8.7809   35.052   16.647   76.745   22.810 -41.69242 28.23911 
1 1 1    1    7    0 o  385.642   16.434  352.630   41.539  352.630   41.539  352.630   41.539  385.642   23.241  385.642   23.241 -0.000000 0.000000 
1 1 1    1    7    1 o  363.707   17.960  315.446   29.718  295.957   46.986  328.442   38.368  353.815   28.415  373.599   21.975 -19.78375 35.92062 
1 1 1    1    7    2 f  630.972   34.099  962.187  100.532  984.136  142.171  940.237  142.175  638.416   47.650  623.528   48.789 14.88739 68.19773 
1 1 1    1    7    3 o  599.770   41.635  907.703  107.923  952.552  132.184  818.028  186.911  628.846   44.977  570.694   70.079 58.15167 83.27083 
1 1 1    1    7    4 f  174.589   13.469   72.580   10.290   74.437   12.608   68.875   17.807  178.159   15.143  171.018   22.280 7.140839 26.93872 
1 1 1    1    7    5 o  803.698   44.521  1523.84  160.547  1327.97  196.616  1915.74  278.115  734.448   57.281  872.947   68.170 -138.4990 89.04118 
1 1 1    1    7    6 o  332.259   26.276  264.493   40.720  245.577   57.581  283.417   57.592  320.075   38.493  344.443   35.777 -24.36731 52.55174 
1 1 1    1    7    7 o  446.758   23.099  475.841   48.227  471.259   68.205  480.424   68.203  444.564   32.827  448.953   32.506 -4.389740 46.19798 
1 1 1    1    7    8 f  523.279   59.267  686.606  144.941   0.0000   0.0000  686.606  144.941  ?   ?   523.279   59.267      ?      ? 
1 1 1    1    7    9 o   98.964   10.906   24.066   4.5429   21.488   7.8590   25.359   5.5672   93.912   18.564  104.017   11.452 -10.10536 21.81252 
1 1 1    1    7   10 o  309.460   24.599  227.282   35.577   0.0000   0.0000  227.282   35.577  ?   ?   309.460   24.599      ?      ? 
1 1 1    1    7   11 o  144.656   13.839   49.416   9.3556   50.064   13.242   48.770   13.220  145.612   19.458  143.699   19.685 1.912582 27.67870 
1 1 1    1    7   13 o  142.518   14.041   53.180   8.0363   60.909   9.8513   37.803   13.894  161.053   13.088  123.983   24.845 37.07064 28.08133 
1 1 1    1    7   14 o  724.575   66.759  1530.79  226.008  1498.37  319.633  1563.21  319.613  714.995   95.655  734.155   93.152 -19.15918 133.5185 
1 1 1    1    7   15 o  248.308   20.532  148.097   23.612  170.632   33.413  125.617   33.372  267.699   26.707  228.916   31.193 38.78319 41.06427 
1 1 1    1    7   16 o  181.156   16.128   77.888   13.633   72.791   19.267   82.997   19.291  175.130   23.541  187.181   22.053 -12.05124 32.25661 
1 1 1    1    7   17 o  321.289   27.019  263.964   36.998  165.579   52.267  362.775   52.379  254.096   45.693  388.483   28.850 -134.3871 54.03870 
1 1 1    1    7   18 o  165.389   11.426   58.064   8.3578   94.601   14.554   40.088   10.209  200.406   15.540  130.372   16.755 70.03326 22.85192 
1 1 1    1    7   19 o  221.199   18.670  116.570   19.284  122.173   27.291  110.982   27.253  226.609   25.769  215.789   27.024 10.81992 37.34086 
1 1 1    1    7   20 o  531.936   28.227  689.763   69.981  746.169   98.977  633.378   98.959  554.619   38.185  509.253   41.579 45.36618 56.45321 
1 1 1    1    7   21 o  344.190   18.466  255.096   28.245  181.803   34.549  402.803   49.046  276.493   26.737  411.886   25.479 -135.3935 36.93289 
1 1 1    1    7   22 o  136.200   9.9174   43.802   6.2496   50.822   8.8293   36.754   8.8473  147.251   12.830  125.150   15.127 22.10131 19.83478 
1 1 1    1    7   23 o  398.989   21.330  378.657   39.516  427.751   55.895  329.605   55.872  425.305   28.121  372.673   32.079 52.63220 42.65986 
1 1 1    1    7   24 o  197.526   13.755   89.467   12.087   98.699   20.973   84.875   14.791  204.835   21.909  190.217   16.638 14.61778 27.51014 
1 1 1    1    7   25 o  443.209   23.845  468.285   49.027  532.946   69.350  403.683   69.318  474.411   31.279  412.008   36.000 62.40244 47.69020 
1 1 1    1    7   26 f  132.869   12.035   41.755   7.0041   42.407   8.5656   40.439   12.167  134.542   13.623  131.196   19.844 3.345993 24.07008 
1 1 1    1    7   27 o  195.947   18.729   96.691   15.281  141.954   21.741   52.501   21.482  245.855   18.921  146.038   32.328 99.81737 37.45854 
1 1 1    1    7   28 o  342.249   26.658  284.725   41.272  366.026   58.450  203.881   58.285  392.926   31.830  291.572   42.773 101.3542 53.31681 
1 1 1    1    7   29 o  663.644   45.755  1097.31  132.867  1071.68  230.145  1110.13  162.723  650.849   75.662  676.438   51.473 -25.58899 91.51066 
1 1 1    1    7   30 o  785.423   63.516  1638.68  224.536  2094.97  317.611  1182.77  317.475  909.659   74.709  661.188  102.741 248.4713 127.0317 
1 1 1    1    7   31 o  743.578   62.814  1481.02  218.283  1471.58  308.665  1490.47  308.733  740.872   89.146  746.285   88.519 -5.412842 125.6289 
1 1 1    1    7   32 o  603.278   51.701  956.291  141.237  1202.66  199.746  709.955  199.733  690.653   61.883  515.904   82.840 174.7495 103.4020 
1 1 1    1    7   33 o  254.075   29.814  153.705   35.402  153.705   35.402   0.0000   0.0000  254.075   29.814  ?   ?       ?      ? 
1 1 1    1    7   34 o  101.098   16.413   25.234   7.5854   26.799   10.382   23.441   11.110  104.597   21.938   97.599   24.417 6.998405 32.82520 
1 1 1    1    7   35 o  337.456   21.457  270.393   29.281  268.917   33.794  274.838   58.645  337.415   21.431  337.497   37.181 -0.8221436E-01 42.91496 
1 1 1    1    7   36 o  183.186   17.221   85.845   12.904   95.026   15.792   67.396   22.387  200.907   16.819  165.465   30.056 35.44145 34.44191 
1 1 1    1    7   37 o  278.252   20.114  186.182   24.508  181.578   42.575  188.464   29.973  274.550   33.181  281.955   22.746 -7.404633 40.22851 
1 1 1    1    7   38 o  237.650   15.155  119.546   15.831   79.950   19.286  201.340   27.719  183.578   22.479  291.723   20.331 -108.1451 30.30913 
1 1 1    1    7   39 o  130.444   10.229   39.798   6.1316   38.449   7.9168   41.820   9.6931  127.797   13.255  133.092   15.584 -5.294586 20.45851 
1 1 1    1    7   40 o  157.436   15.801   66.597   9.2407   73.090   10.759   48.334   18.044  176.135   13.070  138.737   28.773 37.39804 31.60230 
1 1 1    1    7   41 o  122.478   12.967   35.909   6.4296   35.605   7.5459   36.714   12.284  122.910   13.137  122.046   22.360 0.8636780 25.93336 
1 1 1    1    7   42 o  130.200   10.288   40.199   6.1540   40.857   8.0394   39.267   9.5638  131.632   13.068  128.768   15.892 2.864868 20.57517 
1 1 1    1    7   43 o  160.648   12.283   62.247   9.0653   50.292   13.003   73.553   12.645  145.118   19.172  176.179   15.358 -31.06125 24.56500 
1 1 1    1    7   44 o   64.242   14.416   9.5292   4.2422   8.9386   9.5039   9.6762   4.7407   65.878   23.913   62.607   16.109 3.271511 28.83252 
1 1 1    1    7   45 o  121.232   11.732   37.712   5.9854   28.316   9.6947   43.500   7.6086  106.787   20.165  135.677   11.999 -28.89041 23.46484 
1 1 1    1    7   46 o  120.787   12.926   33.616   7.0133   40.132   12.052   30.280   8.6240  128.966   19.995  112.608   16.387 16.35828 25.85232 
1 1 1    1    7   47 o  228.551   13.423  126.257   14.272  140.624   20.279  112.154   20.091  241.844   17.942  215.259   19.971 26.58539 26.84645 
1 1 1    1    7   48 o  202.179   11.707   98.659   10.836  101.160   14.096   95.047   16.942  205.905   14.648  198.453   18.267 7.451859 23.41462 
1 1 1    1    7   49 o  111.477   11.094   29.583   5.7512   33.879   8.5823   26.081   7.7482  118.801   15.458  104.152   15.918 14.64839 22.18835 
1 1 1    1    7   50 o  260.797   15.886  169.630   19.167  196.729   27.202  142.910   27.011  282.819   20.580  238.775   24.205 44.04361 31.77111 
1 1 1    1    7   51 o   72.601   13.770   14.593   4.7978   17.284   5.4692   5.6056   9.9945   85.066   13.757   60.136   23.858 24.92937 27.54061 
1 1 1    1    7   52 o  128.417   11.013   41.225   6.3052   46.107   8.1355   33.881   9.9776  139.004   12.523  117.830   18.119 21.17379 22.02528 
1 1 1    1    7   53 o   73.910   12.780   14.552   4.3500   10.666   7.2127   16.774   5.4535   65.572   20.891   82.248   14.729 -16.67605 25.56073 
1 1 1    1    7   54 o  104.609   12.390   28.474   5.5690   22.084   8.8924   32.597   7.1433   92.581   21.031  116.637   13.104 -24.05596 24.77933 
1 1 1    1    7   55 o   65.130   12.587   10.473   4.2984   16.361   6.0467   4.4583   6.1114   80.701   16.587   49.559   18.937 31.14238 25.17379 
1 1 1    1    7   56 o   84.762   12.259   18.115   4.6924   17.589   6.6432   18.638   6.6291   83.428   17.592   86.096   17.078 -2.667564 24.51824 
1 1 1    1    7   57 o   82.044   13.485   17.803   5.1134   20.367   6.5026   13.649   8.2772   91.453   15.214   72.636   22.270 18.81683 26.97046 
1 1 1    1    7   58 o  101.048   13.257   25.996   5.9379   27.053   7.6159   24.358   9.4825  105.444   15.455   96.652   21.543 8.792435 26.51319 
1 1 1    1    7   59 o   78.495   15.521   17.904   6.0062   21.214   6.9501   8.1400   11.937   91.463   16.881   65.527   26.050 25.93562 31.04138 
1 1 1    1    7   60 o  101.935   12.025   26.221   5.5280   21.345   7.7119   31.375   7.9280   90.737   18.804  113.133   14.995 -22.39548 24.05027 
1 1 1    1    7   61 o   85.342   14.262   18.981   5.5976   23.042   8.4385   15.790   7.4801   93.586   19.906   77.099   20.431 16.48691 28.52499 
1 1 1    1    7   62 o   51.580   14.365   3.6240   5.2969  -0.6249   7.1157   8.9044   7.9326   42.375   18.622   60.785   21.878 -18.40967 28.73053 
1 1 1    1    7   63 o   55.008   14.469   6.8236   4.9781   8.1677   6.2900   4.5702   8.1441   57.304   19.566   52.713   21.323 4.590961 28.93898 
1 1 1    1    7   64 o   65.668   15.644   11.456   5.5698   12.170   9.0735   11.024   7.0556   67.217   23.473   64.120   20.687 3.096725 31.28772 
1 1 1    1    7   65 f   75.168   16.093   15.444   6.9646   24.952   9.6352   5.0403   10.079   94.372   22.215   55.964   23.292 38.40781 32.18687 
1 1 1    1    7   66 o  130.960   17.819   49.950   9.0577   50.012   10.408   49.758   18.391  139.775   15.932  122.145   31.878 17.63013 35.63757 
1 1 1    1    7   67 o   53.870   15.809   5.1935   6.7808   0.2712   9.9158   9.5171   9.2934   47.876   21.454   59.865   23.226 -11.98932 31.61836 
1 1 1    1    7   68 o  125.734   14.281   44.295   7.9107   42.145   12.542   45.716   10.194  119.514   23.291  131.953   16.531 -12.43855 28.56132 
1 1 1    1    7   69 o   46.960   14.963   1.5207   6.5675  -8.4089   14.264   4.1920   7.3983   46.590   22.397   47.331   19.847 -0.7411156 29.92551 
1 1 1    1    7   70 o   86.749   16.036   24.812   6.5353   23.121   10.588   25.852   8.3063   80.724   25.260   92.774   19.763 -12.05045 32.07245 
1 1 1    1    7   71 o   50.116   14.924   5.6409   5.8590   8.3890   9.2327   3.7882   7.5810   54.344   22.428   45.888   19.696 8.455910 29.84859 
1 1 1    1    7   72 o   37.206   12.524  -4.2311   5.7950  -4.8462   9.5400  -3.8714   7.2952   39.070   18.657   35.343   16.714 3.726608 25.04851 
1 1 1    1    8    0 o  145.187   10.214   50.803   9.5791   50.803   9.5791   50.803   9.5791  145.187   14.445  145.187   14.445 -0.000000 0.000000 
1 1 1    1    8    1 o  518.807   36.216  672.122   81.769  631.558  141.626  692.404  100.147  501.814   60.389  535.801   39.994 -33.98721 72.43179 
1 1 1    1    8    2 o  109.433   12.598   28.702   6.2602   32.106   8.8399   25.276   8.8668  116.902   16.180  101.964   19.314 14.93757 25.19582 
1 1 1    1    8    3 o  286.001   19.567  196.383   24.491  188.060   42.416  200.546   29.996  280.559   32.349  291.443   22.023 -10.88480 39.13411 
1 1 1    1    8    4 o  261.229   18.869  164.938   21.484  153.440   37.196  170.694   26.318  253.491   31.397  268.967   20.937 -15.47665 37.73792 
1 1 1    1    8    5 o  418.325   29.694  445.086   53.032  372.310   91.826  481.506   64.960  387.708   50.678  448.941   30.961 -61.23325 59.38715 
1 1 1    1    8    6 o  143.090   11.648   47.383   7.3982   50.668   12.813   45.740   9.0612  146.610   18.701  139.571   13.892 7.039413 23.29566 
1 1 1    1    8    7 o  558.808   46.244  812.921  120.671  778.656  170.650  847.190  170.659  545.688   66.914  571.927   63.848 -26.23889 92.48822 
1 1 1    1    8    8 o  254.403   29.606  154.923   35.200   0.0000   0.0000  154.923   35.200  ?   ?   254.403   29.606      ?      ? 
1 1 1    1    8    9 o  463.660   37.465  545.356   80.464  622.846  113.807  467.902  113.780  499.407   48.761  427.912   56.894 71.49515 74.93027 
1 1 1    1    8   11 o  269.703   21.578  172.221   27.198  172.221   27.198   0.0000   0.0000  269.703   21.578  ?   ?       ?      ? 
1 1 1    1    8   12 o  283.091   22.596  189.879   29.895  189.879   29.895   0.0000   0.0000  283.091   22.596  ?   ?       ?      ? 
1 1 1    1    8   13 o  252.121   18.363  153.735   20.191  158.694   24.732  143.824   34.962  259.168   20.419  245.074   30.525 14.09360 36.72518 
1 1 1    1    8   14 o  457.254   36.958  527.440   78.553  468.790  111.077  586.118  111.105  429.806   55.298  484.701   49.048 -54.89478 73.91563 
1 1 1    1    8   15 o  248.918   20.710  150.044   23.792  176.679   33.673  123.490   33.622  271.773   26.511  226.062   31.824 45.71107 41.41982 
1 1 1    1    8   16 o  204.876   17.685  100.954   16.714   82.536   23.599  119.492   23.676  185.584   27.209  224.167   22.600 -38.58328 35.37077 
1 1 1    1    8   17 o  491.808   33.219  594.167   72.174  622.870  125.031  579.823   88.387  495.933   53.945  487.684   38.780 8.249390 66.43770 
1 1 1    1    8   18 o  524.419   28.079  670.645   68.531  738.757   96.930  602.568   96.905  552.200   37.559  496.638   41.751 55.56201 56.15886 
1 1 1    1    8   19 o  405.458   21.883  394.926   41.269  351.565   58.350  438.324   58.375  382.567   32.636  428.349   29.160 -45.78125 43.76517 
1 1 1    1    8   20 o  394.609   20.753  370.836   38.265  380.090   54.119  361.585   54.109  399.626   28.977  389.593   29.718 10.03265 41.50696 
1 1 1    1    8   21 o  515.847   27.544  638.560   66.276  594.111   93.721  683.024   93.737  497.408   40.317  534.286   37.540 -36.87881 55.08778 
1 1 1    1    8   22 o  849.301   57.575  1865.94  212.820  1903.55  260.649  1790.70  368.621  876.938   63.598  821.663   95.994 55.27539 115.1501 
1 1 1    1    8   23 o  240.097   19.677  136.831   21.892  116.267   30.903  157.550   31.019  221.706   29.825  258.488   25.677 -36.78139 39.35485 
1 1 1    1    8   24 f  645.650   33.409  1004.46  100.700  1057.03  142.417  951.903  142.405  663.069   45.958  628.232   48.502 34.83698 66.81775 
1 1 1    1    8   25 o  657.815   37.092  969.342  109.444  1381.94  189.644  763.309  134.012  754.106   53.810  561.525   51.066 192.5818 74.18400 
1 1 1    1    8   26 o  540.418   33.351  678.661   80.545  790.096  139.545  622.988   98.635  570.599   52.329  510.237   41.363 60.36160 66.70251 
1 1 1    1    8   27 o  495.946   30.682  564.352   68.166  682.208  118.114  505.494   83.470  531.747   47.528  460.144   38.814 71.60287 61.36358 
1 1 1    1    8   28 o  382.132   29.671  351.224   52.641  396.928   74.512  305.681   74.380  407.670   39.109  356.594   44.631 51.07602 59.34193 
1 1 1    1    8   29 o  445.138   36.348  490.808   73.010  349.436  103.233  632.287  103.272  377.160   58.567  513.116   43.065 -135.9563 72.69542 
1 1 1    1    8   30 o  424.762   25.987  408.409   49.530  353.384   60.612  519.000   85.929  384.885   33.697  464.638   39.572 -79.75287 51.97480 
1 1 1    1    8   31 o  163.578   16.200   62.865   12.385   0.0000   0.0000   62.865   12.385  ?   ?   163.578   16.200      ?      ? 
1 1 1    1    8   32 o  280.340   23.058  187.909   30.183  196.460   42.612  179.299   42.759  286.900   31.780  273.780   33.418 13.11987 46.11659 
1 1 1    1    8   33 o  533.674   37.368  716.951   86.868  735.222  106.410  680.448  150.407  550.216   41.381  517.133   62.234 33.08374 74.73576 
1 1 1    1    8   34 o  218.620   19.122  112.641   19.537  112.641   19.537   0.0000   0.0000  218.620   19.122  ?   ?       ?      ? 
1 1 1    1    8   35 o  364.736   26.914  336.990   41.931  364.246   51.348  282.434   72.646  390.863   28.110  338.608   45.906 52.25549 53.82874 
1 1 1    1    8   36 o  487.160   39.685  604.201   90.208  567.838  127.528  640.615  127.619  471.192   57.912  503.127   54.274 -31.93469 79.36919 
1 1 1    1    8   37 o  272.170   18.940  173.540   22.917  186.802   39.578  166.850   28.109  279.076   30.345  265.264   22.674 13.81186 37.88038 
1 1 1    1    8   38 f  169.891   14.577   69.545   10.859   71.515   13.352   65.695   18.665  174.012   16.418  165.770   24.092 8.241653 29.15454 
1 1 1    1    8   39 o  322.916   20.144  242.873   26.718  232.203   30.838  274.990   53.505  311.946   21.153  333.885   34.289 -21.93951 40.28824 
1 1 1    1    8   40 o  321.788   21.000  247.242   31.581  247.242   31.581   0.0000   0.0000  321.788   21.000  ?   ?       ?      ? 
1 1 1    1    8   41 o  111.979   14.200   30.997   6.9181   32.441   8.6831   28.486   11.448  117.060   15.872  106.897   23.550 10.16287 28.39946 
1 1 1    1    8   42 o  160.900   11.618   61.467   8.7056   68.200   12.440   55.006   12.187  169.648   15.690  152.153   17.138 17.49440 23.23591 
1 1 1    1    8   43 o  237.392   14.446  135.444   16.004  127.053   22.591  143.897   22.675  229.814   21.034  244.971   19.806 -15.15727 28.89127 
1 1 1    1    8   44 o  109.677   11.250   28.464   5.1237   13.481   6.6599   50.194   8.0204   73.570   19.175  145.785   11.772 -72.21563 22.49998 
1 1 1    1    8   45 o  153.710   13.333   56.392   8.2427   57.506   16.634   56.030   9.4897  153.633   23.167  153.786   13.204 -0.1532593 26.66543 
1 1 1    1    8   46 o   95.618   12.179   22.815   5.2105   16.729   7.4800   28.552   7.2624   81.654   19.804  109.582   14.181 -27.92735 24.35787 
1 1 1    1    8   47 o   59.645   12.417   8.0568   4.0632   13.715   5.8335   2.7250   5.6628   74.164   17.169   45.127   17.941 29.03643 24.83305 
1 1 1    1    8   48 o  123.974   11.872   37.714   6.5189   48.672   9.4048   27.580   9.0441  142.807   14.092  105.141   19.109 37.66544 23.74329 
1 1 1    1    8   49 o   35.541   11.258  -1.9545   3.7922 -14.4578   8.4810   1.1701   4.2397   34.054   16.583   37.028   15.230 -2.973629 22.51537 
1 1 1    1    8   50 o  171.479   12.094   71.114   9.6824   74.909   13.716   67.344   13.670  176.189   16.657  166.769   17.539 9.420197 24.18866 
1 1 1    1    8   51 o   54.947   14.407   2.9933   4.7697  -0.6476   5.6109   12.479   9.0566   38.457   16.726   71.437   23.463 -32.97968 28.81430 
1 1 1    1    8   52 o  183.573   12.759   82.646   10.926   87.218   15.338   77.936   15.567  189.047   17.360  178.098   18.703 10.94875 25.51775 
1 1 1    1    8   53 o  189.993   13.238   89.053   11.666   76.656   16.415  101.706   16.584  175.938   19.964  204.048   17.390 -28.11078 26.47598 
1 1 1    1    8   54 o   50.311   13.181   5.0210   4.1770   2.9386   6.3922   6.5729   5.5182   47.123   18.950   53.500   18.326 -6.377705 26.36185 
1 1 1    1    8   55 o  137.038   10.057   45.233   6.4009   51.627   9.1562   39.120   8.9516  146.757   13.350  127.318   15.044 19.43896 20.11329 
1 1 1    1    8   56 o   40.277   11.804   0.1453   3.9037   4.2297   5.4699  -4.0945   5.5730   47.398   17.962   33.155   15.321 14.24298 23.60897 
1 1 1    1    8   57 o  205.909   10.992  103.697   10.429  124.904   14.921   83.442   14.582  227.355   14.042  184.462   16.914 42.89346 21.98378 
1 1 1    1    8   58 o  147.743   10.360   53.108   7.1447   51.877   10.282   54.258   9.9353  145.918   15.077  149.569   14.213 -3.651169 20.72071 
1 1 1    1    8   59 o  141.086   14.302   57.326   7.9801   76.901   10.421   29.573   12.408  178.504   12.492  103.667   25.732 74.83724 28.60354 
1 1 1    1    8   60 o   34.093   11.453  -7.8103   4.9423  -8.9990   6.7949  -6.4749   7.2019   32.261   15.496   35.924   16.870 -3.662838 22.90652 
1 1 1    1    8   61 o   91.876   14.932   22.824   6.3552   17.165   9.0444   28.342   8.9319   79.400   23.028  104.353   19.015 -24.95263 29.86429 
1 1 1    1    8   62 o  184.640   13.657   88.309   11.426  112.897   16.336   64.762   15.986  212.345   16.461  156.934   21.797 55.41130 27.31408 
1 1 1    1    8   63 o   81.897   17.263   18.996   7.1483   16.822   10.352   20.976   9.8822   77.413   25.067   86.382   23.744 -8.969170 34.52671 
1 1 1    1    8   64 o  157.851   12.623   62.152   9.1352   78.633   14.732   51.855   11.644  173.993   18.117  141.709   17.582 32.28445 25.24566 
1 1 1    1    8   65 o   52.350   14.277   2.5902   5.5114  -4.6830   7.2604   12.481   8.4666   37.281   17.319   67.420   22.702 -30.13969 28.55328 
1 1 1    1    8   66 f   61.187   16.637   9.7565   6.5283   10.440   7.9284   8.3166   11.505   61.655   21.906   60.718   25.044 0.9367752 33.27303 
1 1 1    1    8   67 f   61.883   16.772   10.357   6.8268   12.061   9.6440   8.6447   9.6651   64.808   23.996   58.958   23.440 5.849079 33.54436 
1 1 1    1    8   68 o   50.296   13.852   3.9744   5.6547  -8.4193   9.2310   11.418   7.1541   38.052   18.220   62.541   20.869 -24.48811 27.70309 
1 1 1    1    8   69 o   85.666   16.395   24.892   6.8925   28.090   8.7191   19.566   11.254   97.401   19.828   73.931   26.117 23.47041 32.79088 
1 1 1    1    8   70 o   81.518   15.080   21.294   5.9332   26.222   8.4868   16.583   8.2981   92.510   20.196   70.526   22.401 21.98432 30.16096 
1 1 1    1    8   71 o   46.715   15.288   0.8676   6.5439   4.7859   14.179  -0.1928   7.3764   53.409   24.595   40.021   18.166 13.38783 30.57609 
1 1 1    1    8   72 o   53.993   16.286   9.1786   6.5083   9.9583   14.807   8.9918   7.2458   55.190   25.310   52.796   20.502 2.393890 32.57183 
1 1 1    1    9    0 o  172.140   17.166   73.770   18.413   73.770   18.413   73.770   18.413  172.140   24.277  172.140   24.277 -0.000000 0.000000 
1 1 1    1    9    1 o  740.881   49.802  1438.03  162.861  1536.41  282.090  1388.84  199.461  744.867   81.034  736.895   57.917 7.971436 99.60361 
1 1 1    1    9    2 o  393.079   21.277  372.499   38.709  430.704   54.755  314.347   54.730  424.746   27.584  361.412   32.403 63.33438 42.55337 
1 1 1    1    9    3 o  822.188   46.874  1784.25  178.691  1554.65  252.698  2013.89  252.717  762.433   70.918  881.944   61.313 -119.5104 93.74767 
1 1 1    1    9    4 o  249.101   17.565  146.804   19.315  145.211   23.659  149.988   33.444  247.792   20.430  250.410   28.577 -2.618057 35.12900 
1 1 1    1    9    5 o  674.247   44.174  1142.94  132.792  1054.25  162.633  1320.33  230.012  645.040   53.948  703.455   69.963 -58.41571 88.34761 
1 1 1    1    9    6 o  735.849   97.831  1615.10  336.442   0.0000   0.0000  1615.10  336.442  ?   ?   735.849   97.831      ?      ? 
1 1 1    1    9    7 o  757.815   72.431  1744.44  255.834  1630.58  361.798  1858.31  361.810  725.668  106.680  789.961   98.001 -64.29321 144.8620 
1 1 1    1    9    8 o  417.417   32.526  419.251   63.452  419.251   63.452   0.0000   0.0000  417.417   32.526  ?   ?       ?      ? 
1 1 1    1    9    9 o  611.754   51.551  1003.09  146.030  1140.42  206.537  865.804  206.499  659.772   66.982  563.736   78.379 96.03564 103.1014 
1 1 1    1    9   10 o  851.021   56.874  1878.39  217.107  1624.45  265.885  2386.43  376.083  780.506   72.891  921.536   87.323 -141.0300 113.7473 
1 1 1    1    9   11 o  314.269   23.419  251.419   31.199  276.504   38.217  201.293   54.023  341.324   23.958  287.215   40.247 54.10910 46.83779 
1 1 1    1    9   12 o  308.824   25.003  231.323   36.081  235.964   51.033  226.684   51.020  312.037   34.995  305.610   35.721 6.427032 50.00629 
1 1 1    1    9   13 o  123.403   13.864   37.188   7.6071   27.725   10.741   46.712   10.775  106.077   22.370  140.729   16.383 -34.65181 27.72783 
1 1 1    1    9   14 o  153.960   11.130   50.995   7.6517   76.544   13.320   38.413   9.3480  180.232   15.814  127.687   15.665 52.54527 22.25917 
1 1 1    1    9   15 o  304.103   21.573  224.349   28.677  214.293   49.676  229.375   35.119  297.475   35.732  310.730   24.183 -13.25525 43.14632 
1 1 1    1    9   16 o  146.362   12.291   50.680   7.9033   49.776   13.693   51.132   9.6780  145.178   20.182  147.545   14.035 -2.366364 24.58238 
1 1 1    1    9   17 o  179.444   11.079   76.995   9.0466   56.862   12.773   97.260   12.815  155.359   17.592  203.528   13.472 -48.16823 22.15801 
1 1 1    1    9   18 o   77.976   8.8779   14.664   3.0984   17.937   4.3866   11.406   4.3770   87.495   10.728   68.457   14.149 19.03818 17.75588 
1 1 1    1    9   19 o  707.473   37.202  1233.32  122.115  1396.07  172.711  1070.63  172.681  756.684   48.839  658.263   56.131 98.42114 74.40363 
1 1 1    1    9   20 o  724.749   50.625  1331.23  160.322  1347.48  196.352  1298.73  277.691  741.302   56.676  708.196   83.901 33.10632 101.2497 
1 1 1    1    9   21 o  191.261   11.827   85.854   10.564   81.998   14.926   89.723   14.952  186.941   17.084  195.582   16.358 -8.640945 23.65307 
1 1 1    1    9   22 o  722.737   34.820  1260.98  117.612  1260.33  166.326  1261.63  166.330  722.544   49.255  722.930   49.230 -0.3860474 69.63965 
1 1 1    1    9   23 o  352.388   39.205  296.284   64.565  296.284   64.565   0.0000   0.0000  352.388   39.205  ?   ?       ?      ? 
1 1 1    1    9   24 o  446.684   25.710  441.840   51.569  605.179   89.393  360.371   63.133  503.895   37.959  389.472   34.685 114.4228 51.41928 
1 1 1    1    9   25 o  303.498   34.306  218.826   48.660   0.0000   0.0000  218.826   48.660  ?   ?   303.498   34.306      ?      ? 
1 1 1    1    9   26 o  105.638   14.190   28.220   6.8015   44.914   9.6720   11.888   9.5663  138.416   14.952   72.860   24.123 65.55603 28.38091 
1 1 1    1    9   27 o  638.823   42.351  1011.21  118.254  1028.58  144.831  976.458  204.819  652.959   47.461  624.686   70.156 28.27307 84.70177 
1 1 1    1    9   28 o  535.470   36.102  698.401   84.869  701.891  103.944  691.421  146.994  541.101   41.103  529.840   59.362 11.26068 72.20378 
1 1 1    1    9   29 o  471.754   25.641  534.634   56.239  595.841   79.535  473.428   79.534  499.515   34.069  443.993   38.330 55.52216 51.28242 
1 1 1    1    9   30 o  555.933   32.943  732.753   81.645  828.039  141.352  685.047  100.016  579.215   52.218  532.652   40.178 46.56360 65.88586 
1 1 1    1    9   31 o  433.477   35.022  464.560   70.210  537.960   99.294  391.167   99.289  469.707   45.233  397.247   53.481 72.45895 70.04430 
1 1 1    1    9   32 o  226.393   19.333  121.919   20.419  113.176   28.779  130.783   28.976  218.086   28.236  234.701   26.417 -16.61436 38.66682 
1 1 1    1    9   33 o  303.642   24.405  218.451   34.632  218.451   34.632   0.0000   0.0000  303.642   24.405  ?   ?       ?      ? 
1 1 1    1    9   34 o  303.909   21.619  223.167   28.732  227.492   35.166  214.481   49.833  309.689   24.297  298.129   35.766 11.55994 43.23832 
1 1 1    1    9   35 o  362.935   41.529  322.751   70.440   0.0000   0.0000  322.751   70.440  ?   ?   362.935   41.529      ?      ? 
1 1 1    1    9   36 o  217.440   26.911  112.747   27.348   0.0000   0.0000  112.747   27.348  ?   ?   217.440   26.911      ?      ? 
1 1 1    1    9   37 o  374.838   30.569  354.026   52.778  419.388   74.727  288.971   74.551  412.031   38.807  337.645   47.244 74.38623 61.13895 
1 1 1    1    9   38 o  258.041   22.055  162.691   26.596  163.031   37.762  162.356   37.465  258.274   31.285  257.807   31.095 0.4669800 44.10911 
1 1 1    1    9   39 o  252.167   21.586  155.414   25.434  159.332   36.035  151.525   35.903  255.458   30.183  248.876   30.868 6.582458 43.17211 
1 1 1    1    9   40 o  219.431   16.693  115.162   16.155  117.494   27.986  113.996   19.784  220.087   27.208  218.776   19.350 1.310989 33.38689 
1 1 1    1    9   41 o  168.775   14.705   68.752   10.914   66.386   18.750   69.965   13.422  165.856   24.190  171.695   16.727 -5.839157 29.40987 
1 1 1    1    9   42 o   79.050   12.317   10.578   4.3567   4.9673   4.9964   28.379   8.8996   48.962   17.391  109.138   17.448 -60.17593 24.63478 
1 1 1    1    9   43 o  179.710   11.319   78.626   9.1883   84.940   11.888   69.258   14.481  189.374   13.432  170.046   18.222 19.32808 22.63725 
1 1 1    1    9   44 o  243.959   17.701  142.207   19.179  134.342   23.444  158.122   33.350  235.608   21.291  252.310   28.283 -16.70256 35.40115 
1 1 1    1    9   45 o  105.653   11.953   27.967   5.4996   17.932   7.7611   38.087   7.7942   84.564   19.959  126.742   13.159 -42.17886 23.90629 
1 1 1    1    9   46 o   84.115   12.345   17.736   4.7789   23.036   6.6683   12.139   6.8521   98.340   14.509   69.889   19.978 28.45063 24.69049 
1 1 1    1    9   47 o   72.786   12.093   13.480   4.0252   14.926   5.2780   11.469   6.2229   77.773   15.065   67.798   18.920 9.974709 24.18544 
1 1 1    1    9   48 o   40.026   11.571   1.6338   3.3943  -1.0149   5.9416   2.9169   4.1355   39.060   17.095   40.992   15.598 -1.931736 23.14143 
1 1 1    1    9   49 o   49.922   12.796   4.5107   4.0259   8.0487   5.8396   1.3060   5.5578   58.070   18.829   41.774   17.333 16.29581 25.59243 
1 1 1    1    9   50 o  109.454   10.728   28.835   5.4395   29.350   7.2705   28.181   8.1978  110.775   14.044  108.134   16.222 2.641922 21.45611 
1 1 1    1    9   51 o  268.576   24.396  209.466   23.815  223.424   27.530  167.959   47.474  301.287   19.552  235.866   44.704 65.42096 48.79242 
1 1 1    1    9   52 f  174.082   12.380   74.131   10.060   78.778   14.317   69.602   14.137  179.669   17.051  168.494   17.953 11.17589 24.75950 
1 1 1    1    9   53 o  138.332   11.331   47.932   7.0231   39.566   10.994   53.700   9.1284  126.942   18.532  149.723   13.046 -22.78051 22.66287 
1 1 1    1    9   54 o  112.502   11.915   32.026   5.8799   35.488   7.6825   27.131   9.1358  121.609   13.518  103.395   19.624 18.21419 23.82907 
1 1 1    1    9   55 o  154.335   9.9553   57.399   7.1691   53.666   10.125   61.153   10.153  149.151   14.525  159.518   13.619 -10.36693 19.91062 
1 1 1    1    9   56 o  151.101   10.064   55.313   7.1064   56.191   10.059   54.439   10.041  152.337   14.129  149.866   14.336 2.470154 20.12819 
1 1 1    1    9   57 o  136.021   10.127   44.793   6.4228   48.654   9.1601   41.059   9.0083  141.955   13.807  130.088   14.817 11.86671 20.25310 
1 1 1    1    9   58 o  243.898   12.596  148.914   14.149  177.208   20.079  121.007   19.941  268.499   16.001  219.298   19.457 49.20065 25.19147 
1 1 1    1    9   59 o   72.175   13.610   14.226   4.9976   7.1903   7.7708   19.189   6.5263   57.579   21.496   86.771   16.700 -29.19192 27.22061 
1 1 1    1    9   60 o   45.502   13.200   2.3855   4.5652  -0.7534   7.2691   4.4298   5.8663   42.784   18.811   48.220   18.523 -5.436058 26.40003 
1 1 1    1    9   61 o   75.536   15.964   15.644   6.2408   19.122   8.3936   11.344   9.3324   84.154   21.318   66.917   23.768 17.23766 31.92701 
1 1 1    1    9   62 o   37.855   12.380  -4.0507   4.8730  -3.7927   5.9747  -4.5634   8.4222   34.527   15.923   41.182   18.961 -6.654285 24.76023 
1 1 1    1    9   63 o   96.699   16.393   26.415   7.3126   26.398   10.287   26.433   10.397   96.743   23.076   96.655   23.291 0.8808899E-01 32.78665 
1 1 1    1    9   64 o   56.550   15.209   4.4674   6.2473   14.346   9.2115  -3.9468   8.5012   71.538   23.671   41.561   19.104 29.97696 30.41816 
1 1 1    1    9   65 o   80.151   15.328   18.498   5.8482   19.659   7.4781   16.670   9.3838   84.684   19.322   75.619   23.799 9.065514 30.65529 
1 1 1    1    9   66 o   78.497   16.430   18.631   6.3557   18.169   8.1118   19.367   10.229   78.528   21.482   78.465   24.865 0.6349945E-01 32.85926 
1 1 1    1    9   67 o   47.345   14.596   0.3957   6.3256   6.0320   8.9877  -5.1368   8.9044   54.194   22.219   40.495   18.934 13.69872 29.19193 
1 1 1    1    9   68 o   39.056   12.637  -2.9874   5.4199  -8.9825   8.0918   1.8908   7.2991   34.379   16.612   43.732   19.048 -9.352276 25.27432 
1 1 1    1    9   69 o   55.981   14.582   6.1041   5.7926   18.158   8.8766  -2.8364   7.6446   73.759   23.136   38.203   17.755 35.55647 29.16389 
1 1 1    1    9   70 o   46.003   13.696   1.5315   5.4728   10.384   8.1467  -5.7495   7.3883   57.475   21.887   34.531   16.469 22.94451 27.39145 
1 1 1    1    9   71 o   40.893   13.231   0.1507   5.5656  -2.3788   9.5089   1.4688   6.8642   41.180   19.353   40.606   18.046 0.5741463 26.46116 
1 1 1    1   10    0 o  183.080   11.828   80.559   14.037   80.559   14.037   80.559   14.037  183.080   16.727  183.080   16.727 -0.000000 0.000000 
1 1 1    1   10    1 o  361.375   22.660  314.250   35.997  312.243   62.337  315.254   44.091  358.793   37.176  363.957   25.922 -5.164032 45.32048 
1 1 1    1   10    2 o  247.526   16.184  137.719   17.974  172.397   31.153  120.414   22.007  269.382   24.745  225.669   20.866 43.71254 32.36819 
1 1 1    1   10    3 o   95.493   9.4784   19.402   3.8990   32.120   6.8445   13.293   4.7440  116.995   12.518   73.990   14.236 43.00509 18.95683 
1 1 1    1   10    4 o  135.121   13.028   45.924   7.2814   37.590   12.597   50.106   8.9230  124.143   22.543  146.100   13.068 -21.95698 26.05688 
1 1 1    1   10    5 o  215.793   18.304  110.751   18.460  111.122   26.124  110.382   26.088  216.157   25.860  215.429   25.911 0.7277527 36.60805 
1 1 1    1   10    6 o  242.878   20.151  140.845   22.872  139.248   32.341  142.444   32.352  241.471   28.658  244.285   28.337 -2.813522 40.30234 
1 1 1    1   10    7 o  295.098   24.050  210.551   33.011  233.545   46.687  187.563   46.681  311.768   32.042  278.428   35.874 33.33984 48.10070 
1 1 1    1   10    8 o  171.745   15.410   70.179   12.276   60.251   17.319   80.202   17.403  159.322   23.260  184.167   20.219 -24.84502 30.81914 
1 1 1    1   10    9 o  215.955   18.536  112.267   18.478   92.421   26.111  132.175   26.152  196.264   28.467  235.646   23.747 -39.38193 37.07171 
1 1 1    1   10   10 o   31.832   12.734   1.1489   2.8696   0.0000   0.0000   1.1489   2.8696  ?   ?    31.832   12.734      ?      ? 
1 1 1    1   10   11 o  160.930   13.545   63.188   9.4258   55.933   16.329   66.813   11.543  153.377   22.780  168.484   14.660 -15.10635 27.08941 
1 1 1    1   10   12 o  351.394   27.137  294.846   44.565   0.0000   0.0000  294.846   44.565  ?   ?   351.394   27.137      ?      ? 
1 1 1    1   10   13 o  477.068   30.844  559.998   64.563  555.028  111.840  562.482   79.068  471.381   50.767  482.756   35.045 -11.37531 61.68835 
1 1 1    1   10   14 o  240.973   13.610  137.900   15.169  115.268   21.444  160.565   21.460  220.863   20.775  261.083   17.588 -40.22034 27.22025 
1 1 1    1   10   15 o  635.802   47.141  1093.45  127.245  928.763  220.378  1175.82  155.848  582.888   80.899  688.715   48.419 -105.8272 94.28146 
1 1 1    1   10   16 o  387.605   21.334  358.469   38.607  340.327   54.594  376.618   54.603  377.589   30.937  397.622   29.383 -20.03250 42.66716 
1 1 1    1   10   17 o  211.932   12.752  105.597   12.625  102.017   17.851  109.179   17.859  208.317   18.336  215.548   17.728 -7.230850 25.50484 
1 1 1    1   10   18 o  819.535   41.271  1652.48  158.003  1705.47  223.456  1599.49  223.444  833.369   57.373  805.701   59.341 27.66833 82.54106 
1 1 1    1   10   19 o  1165.34   67.679  3587.38  368.574  3549.59  521.241  3625.18  521.245  1158.40   96.280  1172.28   95.141 -13.87842 135.3575 
1 1 1    1   10   20 o  111.654   11.786   29.886   5.5851   29.082   9.7622   30.277   6.8096  109.608   19.785  113.700   12.815 -4.091942 23.57294 
1 1 1    1   10   21 o  356.237   28.094  337.164   40.757  222.394   70.543  394.672   49.934  303.408   49.749  409.067   26.119 -105.6594 56.18851 
1 1 1    1   10   22 o  540.017   37.958  740.969   87.501  619.127  151.536  801.914  107.173  500.448   64.791  579.586   39.566 -79.13834 75.91685 
1 1 1    1   10   23 o  615.171   48.457  952.312  136.458  1160.27  193.018  744.516  192.943  687.468   60.076  542.873   76.048 144.5948 96.91464 
1 1 1    1   10   24 o  282.948   19.478  187.528   24.364  184.292   29.831  194.010   42.222  279.791   22.814  286.105   31.577 -6.314270 38.95609 
1 1 1    1   10   25 o  572.571   33.906  744.625   87.190  632.423  106.760  969.350  151.090  512.922   44.536  632.220   51.136 -119.2971 67.81139 
1 1 1    1   10   26 o  644.031   42.224  1069.27  115.608  1163.44  141.604  881.045  200.200  696.107   43.527  591.956   72.366 104.1507 84.44742 
1 1 1    1   10   27 o  536.215   25.643  692.811   63.249  831.441   89.485  554.413   89.410  591.484   32.372  480.947   39.778 110.5363 51.28596 
1 1 1    1   10   28 o  679.090   37.672  1141.20  118.969  1265.15  168.251  1017.27  168.243  718.141   50.131  640.039   56.246 78.10211 75.34376 
1 1 1    1   10   29 o  191.299   16.928   86.391   15.060   75.219   20.835   98.614   21.793  178.266   25.008  204.333   22.821 -26.06647 33.85545 
1 1 1    1   10   30 o  534.695   60.970  721.684  152.357  721.684  152.357   0.0000   0.0000  534.695   60.970  ?   ?       ?      ? 
1 1 1    1   10   31 o  296.572   25.118  213.111   34.401  249.181   48.571  176.807   48.729  322.694   32.207  270.450   38.553 52.24396 50.23540 
1 1 1    1   10   32 o  315.769   25.024  246.048   35.204  331.438   50.038  162.359   49.537  373.012   28.703  258.526   41.000 114.4864 50.04861 
1 1 1    1   10   33 o  809.659   54.452  1685.29  197.444  1488.97  241.789  2078.21  342.066  753.343   68.675  865.976   84.520 -112.6325 108.9037 
1 1 1    1   10   35 o  168.174   23.638   67.142   18.579   67.142   18.579   0.0000   0.0000  168.174   23.638  ?   ?       ?      ? 
1 1 1    1   10   37 o   53.814   11.707  -0.6893   4.3299   16.127   7.2319 -10.0859   5.4060   80.782   19.400   26.846   13.109 53.93513 23.41370 
1 1 1    1   10   38 o  202.788   17.121  102.525   14.941   88.635   25.844  109.498   18.311  190.859   28.974  214.719   18.247 -23.85994 34.24100 
1 1 1    1   10   39 o  331.880   23.029  265.833   33.916  289.361   58.789  254.096   41.522  340.189   36.977  323.570   27.458 16.61914 46.05706 
1 1 1    1   10   40 o  118.807   16.605   35.924   8.9857   51.220   12.652   20.358   12.764  146.671   18.458   90.943   27.608 55.72859 33.21021 
1 1 1    1   10   41 o  256.894   15.348  158.962   18.397  169.018   26.018  148.907   26.017  265.269   20.987  248.518   22.401 16.75044 30.69586 
1 1 1    1   10   42 o  265.496   15.813  171.367   19.509  150.925   27.577  191.846   27.602  249.011   23.697  281.981   20.945 -32.97040 31.62653 
1 1 1    1   10   43 o  169.010   11.895   68.262   9.3868   64.840   13.260   71.699   13.290  164.672   17.230  173.348   16.404 -8.675674 23.79022 
1 1 1    1   10   44 o  241.710   20.191  155.212   20.478  119.782   35.306  173.175   25.139  215.654   35.031  267.767   20.088 -52.11363 40.38181 
1 1 1    1   10   45 o  185.814   16.084   87.217   12.815   92.319   15.637   76.783   22.363  196.189   17.055  175.439   27.275 20.75034 32.16776 
1 1 1    1   10   46 o  213.642   11.901  107.930   11.712   99.999   15.121  119.825   18.517  204.325   15.835  222.959   17.771 -18.63432 23.80234 
1 1 1    1   10   47 o  155.938   11.568   58.686   8.4097   54.403   11.951   62.885   11.836  150.096   17.038  161.781   15.654 -11.68544 23.13699 
1 1 1    1   10   48 o   56.646   14.745   6.4995   5.2446   8.7715   6.7769   3.1069   8.2814   60.935   20.310   52.357   21.381 8.577576 29.48973 
1 1 1    1   10   49 o   53.677   15.642   1.3313   6.6228   7.3413   9.6034  -4.1194   9.1456   62.318   23.756   45.036   20.355 17.28239 31.28368 
1 1 1    1   10   50 o  150.147   15.907   54.469   11.162   54.469   11.162   0.0000   0.0000  150.147   15.907  ?   ?       ?      ? 
1 1 1    1   10   51 o   75.321   13.551   14.722   5.0475   8.1432   7.3133   20.707   6.9753   59.799   21.061   90.842   17.056 -31.04330 27.10139 
1 1 1    1   10   52 o   76.728   12.594   14.405   4.9126   5.5858   6.7695   24.216   7.1402   53.369   20.036  100.086   15.265 -46.71693 25.18854 
1 1 1    1   10   53 o  101.237   11.669   25.716   5.2380   22.853   8.1001   27.774   6.8671   94.934   18.921  107.539   13.663 -12.60579 23.33866 
1 1 1    1   10   54 f   61.611   11.708   8.8092   4.1242   16.827   5.7583   0.3645   5.9096   82.184   15.562   41.037   17.496 41.14666 23.41525 
1 1 1    1   10   55 o  108.272   10.323   28.476   5.2106   26.152   7.3507   30.824   7.3872  103.665   15.172  112.879   14.003 -9.213470 20.64674 
1 1 1    1   10   56 o   43.506   12.973   1.1121   4.4900   2.5132   5.6945  -1.1906   7.3001   44.235   17.852   42.778   18.829 1.457169 25.94661 
1 1 1    1   10   57 o  130.042   9.9963   41.077   6.0487   45.979   8.6485   36.383   8.4627  137.882   13.421  122.201   14.818 15.68111 19.99259 
1 1 1    1   10   58 o   76.374   12.588   14.968   4.6703   8.8449   6.5875   21.157   6.6224   59.878   20.025   92.870   15.258 -32.99249 25.17554 
1 1 1    1   10   59 o   48.604   13.215   2.8370   4.7836  -4.2334   7.1074   8.6918   6.4677   37.978   17.461   59.231   19.842 -21.25298 26.43070 
1 1 1    1   10   60 o   43.902   13.039  -4.0744   5.2045 -13.1243   6.9251   7.6715   7.8894   29.491   14.491   58.313   21.681 -28.82162 26.07800 
1 1 1    1   10   61 o   42.616   13.147   0.0705   4.7717   0.4315   5.9452  -0.5831   7.9995   40.496   17.414   44.736   19.700 -4.239548 26.29320 
1 1 1    1   10   62 o  138.938   11.097   48.411   7.1707   54.252   10.245   42.800   10.040  147.655   14.846  130.220   16.497 17.43549 22.19385 
1 1 1    1   10   63 o   67.965   16.345   12.008   6.4801   18.144   9.5020   6.6733   8.8602   79.384   23.759   56.547   22.455 22.83743 32.69083 
1 1 1    1   10   64 o   69.389   16.274   12.721   7.3574   21.822   9.4723  -1.1192   11.681   87.436   22.906   51.341   23.123 36.09588 32.54781 
1 1 1    1   10   65 o   41.285   18.221  -0.0311   6.8805  -0.0311   6.8805   0.0000   0.0000   41.285   18.221  ?   ?       ?      ? 
1 1 1    1   10   66 o   55.842   14.629   5.6178   5.4346  -0.4356   6.9776   14.953   8.6650   40.838   18.170   70.846   22.932 -30.00788 29.25777 
1 1 1    1   10   67 o   86.166   14.997   21.701   5.8951   24.198   9.4218   20.094   7.5571   88.985   22.610   83.348   19.710 5.636459 29.99485 
1 1 1    1   10   68 o   46.115   13.839   2.0112   5.3916   8.4702   8.1577  -2.9988   7.1846   55.091   21.650   37.138   17.244 17.95321 27.67843 
1 1 1    1   10   69 o   48.282   13.933   5.5892   5.0012   6.7532   6.8501   4.2605   7.3188   50.214   19.806   46.350   19.603 3.863674 27.86676 
1 1 1    1   10   70 o   53.003   14.888   7.5110   5.4674   4.6232   7.0587   11.842   8.6442   46.264   19.392   59.742   22.595 -13.47784 29.77537 
1 1 1    1   10   71 o   56.778   14.877   11.013   5.2559   10.378   7.6347   11.584   7.2465   55.398   21.166   58.157   20.913 -2.759724 29.75492 
1 1 1    1   11    0 o  828.130   34.835  1683.17  189.123  1683.17  189.123  1683.17  189.123  828.130   49.265  828.130   49.265 -0.000000 0.000000 
1 1 1    1   11    1 o  383.723   19.533  355.103   34.178  341.900   54.033  363.910   44.128  376.615   30.699  390.830   24.159 -14.21490 39.06518 
1 1 1    1   11    2 o  325.201   24.408  274.500   33.349  211.509   57.720  306.065   40.858  292.102   42.281  358.299   24.400 -66.19656 48.81653 
1 1 1    1   11    3 o  337.954   20.554  269.780   28.269  284.868   56.546  264.753   32.641  341.823   35.396  334.084   20.906 7.739197 41.10876 
1 1 1    1   11    4 o  576.256   32.487  763.444   78.252  1000.58  156.552  684.462   90.349  623.552   53.721  528.959   36.547 94.59375 64.97430 
1 1 1    1   11    5 o  195.863   12.732   83.355   11.163  120.507   19.437   65.069   13.636  225.751   18.423  165.974   17.580 59.77682 25.46437 
1 1 1    1   11    6 o  706.649   69.028  1546.19  227.962  1537.19  322.396  1555.20  322.377  703.917   98.000  709.382   97.239 -5.465271 138.0558 
1 1 1    1   11    7 o  201.373   18.843  111.592   14.658   67.973   25.345  133.512   17.967  164.714   34.049  238.031   16.151 -73.31718 37.68575 
1 1 1    1   11    8 o  330.780   21.646  254.554   31.943  289.982   55.352  236.863   39.114  346.410   34.190  315.149   26.556 31.26102 43.29205 
1 1 1    1   11    9 o  368.695   20.079  324.611   34.597  327.000   48.930  322.223   48.924  370.081   28.290  367.309   28.500 2.771729 40.15709 
1 1 1    1   11   10 o  437.597   22.645  471.022   44.379  622.026   62.795  320.345   62.727  511.348   26.276  363.846   36.889 147.5018 45.29036 
1 1 1    1   11   11 o  194.774   18.909  106.676   13.988  130.584   17.152   59.192   24.171  235.647   15.574  153.901   34.463 81.74600 37.81890 
1 1 1    1   11   12 o  328.710   18.323  257.042   28.118  270.517   39.766  243.569   39.762  337.480   25.213  319.939   26.593 17.54095 36.64501 
1 1 1    1   11   13 o  167.439   12.378   62.706   9.2910   55.297   11.367   77.616   16.126  153.385   15.857  181.492   19.012 -28.10686 24.75682 
1 1 1    1   11   14 o  168.513   10.749   67.237   8.3436   80.528   11.829   54.078   11.770  185.303   13.659  151.722   16.600 33.58167 21.49710 
1 1 1    1   11   15 o  411.000   26.030  389.862   47.783  449.945   82.800  359.861   58.509  432.874   40.929  389.125   32.173 43.74939 52.06012 
1 1 1    1   11   16 o  367.204   25.275  324.655   40.604  331.776   49.735  310.422   70.312  374.568   28.411  359.840   41.810 14.72778 50.54932 
1 1 1    1   11   17 o  322.264   19.312  229.361   27.947  306.011   48.477  191.207   34.202  359.789   28.830  284.738   25.702 75.05148 38.62342 
1 1 1    1   11   18 o  900.389   57.306  1972.67  231.058  2396.95  400.252  1760.60  282.969  962.094   89.017  838.684   72.194 123.4100 114.6122 
1 1 1    1   11   19 f  402.180   31.482  389.533   58.836  342.749   83.191  436.351   83.222  377.282   47.181  427.077   41.695 -49.79486 62.96440 
1 1 1    1   11   20 o  407.519   26.051  384.849   47.288  429.866   81.963  362.387   57.896  423.931   41.369  391.108   31.675 32.82361 52.10288 
1 1 1    1   11   21 o  541.899   42.471  720.831  107.558  725.666  152.115  715.996  152.105  543.807   59.853  539.990   60.272 3.816711 84.94152 
1 1 1    1   11   22 o  370.181   26.546  353.777   40.967  401.218   50.188  259.045   70.920  412.377   26.041  327.985   46.267 84.39273 53.09199 
1 1 1    1   11   23 o  361.127   23.876  304.965   38.233  294.965   46.812  324.999   66.260  353.237   28.356  369.016   38.421 -15.77838 47.75150 
1 1 1    1   11   24 o  148.830   16.265   54.779   10.479   75.492   14.875   34.372   14.765  179.334   17.748  118.326   27.262 61.00768 32.53000 
1 1 1    1   11   25 o  341.575   22.642  271.045   34.389  295.825   59.561  258.655   42.118  352.313   36.174  330.838   27.240 21.47491 45.28311 
1 1 1    1   11   26 f  385.232   25.398  349.229   43.362  373.206   75.236  337.304   53.061  393.654   40.895  376.810   30.131 16.84418 50.79622 
1 1 1    1   11   27 o  612.306   33.312  916.639   95.213  867.207  134.635  966.094  134.667  595.031   48.415  629.581   45.768 -34.54999 66.62363 
1 1 1    1   11   28 o  327.468   26.678  258.251   40.786  270.531   57.526  245.839   57.835  335.561   36.682  319.375   38.748 16.18637 53.35688 
1 1 1    1   11   29 o  189.329   17.193   84.894   15.208   86.715   21.414   83.041   21.601  191.416   23.938  187.242   24.685 4.173523 34.38562 
1 1 1    1   11   30 o  558.041   45.147  799.943  116.743  689.912  165.053  910.097  165.146  515.843   68.464  600.240   58.871 -84.39679 90.29451 
1 1 1    1   11   31 o  464.318   52.775  537.353  114.522  537.353  114.522   0.0000   0.0000  464.318   52.775  ?   ?       ?      ? 
1 1 1    1   11   32 o  215.584   27.028  110.749   27.232  110.749   27.232   0.0000   0.0000  215.584   27.028  ?   ?       ?      ? 
1 1 1    1   11   35 o  200.275   17.856   94.937   16.713   0.0000   0.0000   94.937   16.713  ?   ?   200.275   17.856      ?      ? 
1 1 1    1   11   36 o  185.950   13.834   75.254   11.493  111.113   20.067   57.749   14.020  216.054   19.873  155.847   19.250 60.20668 27.66763 
1 1 1    1   11   37 o  366.637   20.804  327.645   35.622  340.982   50.370  314.299   50.385  374.426   28.785  358.849   30.043 15.57721 41.60707 
1 1 1    1   11   38 o  119.419   13.346   31.887   7.0390   28.137   8.4636   40.301   12.677  108.960   16.621  129.878   20.885 -20.91827 26.69135 
1 1 1    1   11   39 o  231.650   18.414  134.176   18.355  141.764   22.428  118.786   31.942  243.687   19.693  219.613   31.121 24.07353 36.82874 
1 1 1    1   11   40 o   63.093   10.844   7.8593   4.3022   19.369   6.0203  -4.1526   6.1502   90.462   14.240   35.724   16.357 54.73830 21.68704 
1 1 1    1   11   41 o  106.338   13.541   26.444   6.2361   31.265   10.988   24.154   7.5742  111.968   21.782  100.708   16.093 11.25990 27.08205 
1 1 1    1   11   42 o  194.489   12.692   90.627   11.536   91.526   16.274   89.719   16.354  195.495   17.812  193.483   18.085 2.012253 25.38423 
1 1 1    1   11   43 o  254.134   24.496  182.831   24.410  210.765   29.854  126.494   42.398  294.650   21.680  213.619   43.934 81.03101 48.99244 
1 1 1    1   11   44 o  164.986   11.757   65.245   9.0497   60.694   12.757   69.854   12.840  159.059   17.161  170.913   16.074 -11.85373 23.51381 
1 1 1    1   11   45 o   78.360   12.473   15.336   4.4610   14.099   6.2604   16.613   6.3584   75.029   18.069   81.690   17.198 -6.660690 24.94556 
1 1 1    1   11   46 o  131.604   11.043   41.388   6.7074   50.936   9.8593   33.160   9.1516  145.922   14.457  117.285   16.696 28.63647 22.08541 
1 1 1    1   11   47 o  150.830   17.990   64.285   10.839   43.466   19.045   74.259   13.182  126.190   32.190  175.469   16.074 -49.27966 35.98036 
1 1 1    1   11   48 o  113.425   16.765   31.049   8.8871   31.049   8.8871   0.0000   0.0000  113.425   16.765  ?   ?       ?      ? 
1 1 1    1   11   49 o  159.342   13.864   60.819   10.324   60.819   10.324   0.0000   0.0000  159.342   13.864  ?   ?       ?      ? 
1 1 1    1   11   50 o  141.975   13.285   48.347   8.8151   48.347   8.8151   0.0000   0.0000  141.975   13.285  ?   ?       ?      ? 
1 1 1    1   11   51 o  324.283   24.162  278.911   34.853  257.560   42.657  321.785   60.447  312.741   29.185  335.824   38.514 -23.08313 48.32333 
1 1 1    1   11   52 o  159.311   11.957   62.089   8.8494   68.945   12.439   55.065   12.592  168.673   15.780  149.949   17.968 18.72372 23.91370 
1 1 1    1   11   53 o   47.612   12.261   0.4215   4.4480  -8.6546   6.1405   10.442   6.4521   30.577   14.698   64.646   19.630 -34.06970 24.52296 
1 1 1    1   11   54 o  182.041   10.649   80.500   9.0540   77.429   12.816   83.560   12.793  178.432   15.369  185.651   14.744 -7.219193 21.29770 
1 1 1    1   11   55 o   91.959   11.907   21.151   4.9681   25.044   7.0789   17.371   6.9743  101.591   14.910   82.326   18.569 19.26531 23.81401 
1 1 1    1   11   56 o  185.179   12.755   87.666   10.555   72.973   16.619   97.601   13.666  169.920   20.928  200.437   14.588 -30.51692 25.51053 
1 1 1    1   11   57 o  144.539   12.959   55.851   7.8376   64.968   9.9990   41.325   12.622  163.846   13.058  125.231   22.388 38.61509 25.91748 
1 1 1    1   11   58 o   54.949   14.376   6.2247   4.9145   8.9001   7.4253   4.1392   6.5558   60.690   21.232   49.208   19.386 11.48246 28.75107 
1 1 1    1   11   59 o  106.923   17.712   31.543   8.3789   31.245   10.332   32.115   14.322  108.521   21.131  105.325   28.432 3.195351 35.42473 
1 1 1    1   11   60 o  111.994   12.910   31.003   6.4874   24.659   8.3420   40.711   10.319   96.908   19.098  127.081   17.375 -30.17295 25.81924 
1 1 1    1   11   61 o   47.973   14.022   1.6194   5.1942  -1.9973   6.7507   6.8679   8.1322   39.271   17.642   56.676   21.799 -17.40539 28.04406 
1 1 1    1   11   62 f   42.375   12.672  -1.9022   5.1779 -15.2389   8.4348   6.1632   6.5593   32.401   15.935   52.349   19.709 -19.94777 25.34478 
1 1 1    1   11   63 o   53.553   13.452   5.8944   5.0510  -4.3711   8.2651   12.014   6.3813   40.491   18.693   66.614   19.350 -26.12289 26.90430 
1 1 1    1   11   64 o   88.880   15.298   22.538   6.3506   18.476   8.8827   26.786   9.0830   79.660   22.737   98.100   20.473 -18.43965 30.59637 
1 1 1    1   11   65 o   45.124   18.779   3.0990   6.5515   3.0990   6.5515   0.0000   0.0000   45.124   18.779  ?   ?       ?      ? 
1 1 1    1   11   66 o   44.212   14.296  -1.8627   6.4528   0.4944   7.8146  -6.9141   11.440   43.994   19.417   44.429   20.986 -0.4350243 28.59126 
1 1 1    1   11   67 o   90.091   16.071   25.863   6.8431   21.736   9.7969   29.795   9.5625   81.018   24.097   99.164   21.271 -18.14610 32.14223 
1 1 1    1   11   68 o   63.202   15.334   12.951   5.5802   10.359   8.6445   14.803   7.3065   57.997   22.429   68.406   20.915 -10.40830 30.66723 
1 1 1    1   11   69 o   63.695   15.683   12.811   5.5922   10.332   7.0628   16.976   9.1553   57.587   20.653   69.804   23.606 -12.21724 31.36542 
1 1 1    1   11   70 o   40.008   12.837  -1.2629   4.9082  -4.8241   5.9939   5.9854   8.5512   31.111   14.837   48.904   20.952 -17.79259 25.67402 
1 1 1    1   12    0 o  192.131   9.7115   87.786   12.187   87.786   12.187   87.786   12.187  192.131   13.734  192.131   13.734 -0.000000 0.000000 
1 1 1    1   12    1 o  166.001   9.5428   63.803   7.2921   69.753   11.539   59.846   9.4093  172.305   14.329  159.698   12.607 12.60669 19.08554 
1 1 1    1   12    2 o  165.602   12.158   64.696   8.1425   64.352   16.259   64.811   9.4072  164.985   21.087  166.219   12.110 -1.234238 24.31689 
1 1 1    1   12    3 o  174.979   10.304   74.038   8.1077   63.029   12.793   81.428   10.482  163.637   16.728  186.320   12.037 -22.68307 20.60838 
1 1 1    1   12    4 o  108.472   8.5532   28.909   4.1119   22.529   6.4959   33.175   5.3114   97.934   14.193  119.010   9.5495 -21.07580 17.10630 
1 1 1    1   12    5 o  266.327   13.569  169.329   16.432  158.075   25.979  176.834   21.215  258.539   21.501  274.114   16.560 -15.57443 27.13901 
1 1 1    1   12    6 o  175.660   13.752   74.326   10.531   68.493   18.193   77.266   12.915  170.036   22.894  181.285   15.244 -11.24979 27.50485 
1 1 1    1   12    7 o  360.363   23.758  305.001   38.087  289.114   46.637  336.814   65.996  348.016   28.674  372.710   37.888 -24.69348 47.51530 
1 1 1    1   12    8 o  461.554   30.681  526.330   61.866  536.576   75.766  505.831  107.166  472.257   34.328  450.851   50.861 21.40546 61.36161 
1 1 1    1   12    9 o  447.674   23.770  489.034   48.252  622.150   68.266  356.137   68.210  511.241   28.572  384.106   37.997 127.1357 47.54095 
1 1 1    1   12   10 o  450.372   24.015  485.064   50.546  486.634   71.486  483.493   71.481  451.118   33.907  449.626   34.017 1.491364 48.02954 
1 1 1    1   12   11 o  271.185   22.417  177.936   27.609  225.571   39.074  130.438   39.018  308.712   27.082  233.657   35.731 75.05591 44.83453 
1 1 1    1   12   12 o  625.566   33.603  952.695   97.266  803.472  137.538  1102.00  137.573  574.515   51.224  676.618   43.506 -102.1031 67.20644 
1 1 1    1   12   13 o  459.696   24.767  503.208   53.127  535.097   75.143  471.336   75.123  474.534   33.883  444.858   36.133 29.67593 49.53444 
1 1 1    1   12   14 o  761.213   49.494  1417.36  167.203  1545.92  289.608  1353.08  204.780  779.442   79.503  742.984   58.975 36.45831 98.98852 
1 1 1    1   12   15 o  205.367   14.831  101.486   13.260  106.020   16.262   92.491   22.905  212.614   16.366  198.121   24.738 14.49290 29.66165 
1 1 1    1   12   16 o  215.887   16.119  110.913   15.225  106.105   26.406  113.307   18.635  212.064   26.644  219.709   18.148 -7.645035 32.23720 
1 1 1    1   12   17 o  419.277   30.503  444.566   54.346  359.367   94.107  487.196   66.567  385.002   52.302  453.552   31.404 -68.55020 61.00586 
1 1 1    1   12   18 o   99.201   13.459   24.462   6.0402   36.911   8.6211   12.459   8.4652  125.495   14.699   72.906   22.549 52.58817 26.91727 
1 1 1    1   12   19 o   99.061   13.582   23.863   6.0577   22.195   8.5989   25.507   8.5354   95.434   19.923  102.688   18.464 -7.253822 27.16331 
1 1 1    1   12   20 o  195.075   18.710  103.672   14.154  124.017   17.349   63.170   24.478  229.947   16.144  160.204   33.759 69.74297 37.42023 
1 1 1    1   12   21 o  365.812   24.734  317.378   39.888  315.647   48.857  320.837   69.073  365.373   28.612  366.250   40.354 -0.8764954 49.46833 
1 1 1    1   12   22 o  826.116   45.292  1689.37  174.773  1750.14  247.171  1628.59  247.161  841.856   62.823  810.376   65.260 31.48010 90.58485 
1 1 1    1   12   23 o  753.897   39.996  1392.33  140.812  1452.30  199.146  1332.37  199.130  770.914   55.274  736.879   57.823 34.03516 79.99189 
1 1 1    1   12   24 o  189.880   11.844   84.683   10.508   83.420   14.922   85.925   14.800  188.465   16.941  191.295   16.555 -2.829727 23.68711 
1 1 1    1   12   25 o  154.101   15.749   56.050   11.284   48.759   15.701   63.836   16.227  143.658   23.386  164.543   21.101 -20.88512 31.49860 
1 1 1    1   12   26 o  524.697   38.214  706.755   85.972  611.303  148.828  754.559  105.323  490.486   64.925  558.908   40.322 -68.42245 76.42738 
1 1 1    1   12   27 o  291.917   23.174  201.440   31.616   0.0000   0.0000  201.440   31.616  ?   ?   291.917   23.174      ?      ? 
1 1 1    1   12   28 o  446.994   35.160  504.599   70.328  345.772   99.368  664.002   99.548  370.848   57.334  523.140   40.717 -152.2915 70.32076 
1 1 1    1   12   29 f  563.591   41.801  772.593  110.101  772.593  110.101   0.0000   0.0000  563.591   41.801  ?   ?       ?      ? 
1 1 1    1   12   30 o  265.752   31.148  169.047   38.685   0.0000   0.0000  169.047   38.685  ?   ?   265.752   31.148      ?      ? 
1 1 1    1   12   31 o  238.194   29.130  135.719   32.427  135.719   32.427   0.0000   0.0000  238.194   29.130  ?   ?       ?      ? 
1 1 1    1   12   33 o  160.923   23.909   61.621   17.982   0.0000   0.0000   61.621   17.982  ?   ?   160.923   23.909      ?      ? 
1 1 1    1   12   34 o  346.108   27.124  288.852   43.874   0.0000   0.0000  288.852   43.874  ?   ?   346.108   27.124      ?      ? 
1 1 1    1   12   35 o  199.166   15.167   91.465   13.422   84.778   16.345  105.309   23.519  188.926   18.512  209.406   24.031 -20.47971 30.33478 
1 1 1    1   12   36 o  402.441   25.768  380.256   46.550  490.945   80.724  325.110   56.977  441.909   39.086  362.973   33.588 78.93704 51.53540 
1 1 1    1   12   37 o  150.306   14.134   54.085   9.3813   53.276   16.078   54.503   11.551  148.936   23.099  151.676   16.296 -2.740189 28.26882 
1 1 1    1   12   38 o  265.430   15.490  169.471   19.144  186.090   27.097  152.911   27.050  278.797   20.797  252.063   22.962 26.73445 30.98003 
1 1 1    1   12   39 o  272.220   16.282  179.480   20.632  197.769   29.224  161.305   29.133  286.537   21.823  257.903   24.170 28.63333 32.56432 
1 1 1    1   12   40 o  357.193   26.622  329.914   41.598  330.661   50.936  328.418   72.083  364.124   29.932  350.262   44.035 13.86191 53.24437 
1 1 1    1   12   41 o  318.555   23.782  258.335   33.152  259.026   40.571  256.946   57.512  323.938   26.799  313.171   39.295 10.76654 47.56308 
1 1 1    1   12   42 o  144.156   11.613   49.653   7.8136   52.990   11.136   46.416   10.966  149.010   15.990  139.301   16.845 9.708557 23.22586 
1 1 1    1   12   43 o   58.275   13.327   7.8944   4.1725   9.6057   6.0288   6.3212   5.7805   62.759   18.957   53.790   18.738 8.969749 26.65498 
1 1 1    1   12   44 o  226.966   13.894  124.991   14.729  119.713   20.775  130.324   20.885  221.987   20.025  231.945   19.267 -9.958450 27.78893 
1 1 1    1   12   45 o  262.624   16.098  171.439   19.544  143.365   27.533  199.953   27.747  239.630   24.585  285.618   20.787 -45.98785 32.19502 
1 1 1    1   12   46 o  150.297   15.627   58.127   9.8911   51.968   16.932   61.318   12.187  141.236   26.629  159.358   16.363 -18.12247 31.25443 
1 1 1    1   12   47 o   52.003   21.556   2.3716   8.5838   2.3716   8.5838   0.0000   0.0000   52.003   21.556  ?   ?       ?      ? 
1 1 1    1   12   48 o  137.979   17.892   48.960   11.243   54.959   15.911   42.979   15.888  148.402   22.941  127.555   27.464 20.84785 35.78495 
1 1 1    1   12   49 o  183.550   17.725   82.406   15.205   82.406   15.205   0.0000   0.0000  183.550   17.725  ?   ?       ?      ? 
1 1 1    1   12   50 o  199.337   16.545   99.910   14.482   98.876   17.709  101.996   25.163  200.409   18.907  198.264   27.156 2.145462 33.09007 
1 1 1    1   12   51 o  137.761   18.521   50.651   11.491   68.760   16.330   32.891   16.172  166.167   21.028  109.355   30.495 56.81203 37.04174 
1 1 1    1   12   52 o  120.137   15.639   38.068   7.9453   40.821   9.7455   32.612   13.721  129.761   16.070  110.513   26.834 19.24850 31.27798 
1 1 1    1   12   53 o   52.667   13.228   5.8073   4.4072   9.2446   5.6712   0.5662   7.0029   60.792   18.391   44.541   19.019 16.25075 26.45683 
1 1 1    1   12   54 o   65.294   15.140   10.642   5.1234   11.331   6.0931   8.9802   9.4655   66.583   18.772   64.006   23.758 2.577255 30.27918 
1 1 1    1   12   55 o   54.273   13.833   3.8166   4.7396  -1.0247   5.9129   12.518   7.9271   38.591   16.967   69.955   21.851 -31.36413 27.66500 
1 1 1    1   12   56 o   94.106   12.071   22.332   5.1166   16.455   7.0586   28.840   7.4276   79.483   19.214  108.729   14.617 -29.24603 24.14220 
1 1 1    1   12   57 o   69.284   15.118   12.835   5.4575   9.1532   9.0523   14.938   6.8405   63.059   23.268   75.509   19.308 -12.45029 30.23599 
1 1 1    1   12   58 o   43.437   13.858  -4.6719   6.4296 -18.6673   11.245   2.1263   7.8371   38.389   18.780   48.484   20.384 -10.09533 27.71609 
1 1 1    1   12   59 o   51.714   14.530   4.4888   5.1300   3.4673   6.5311   6.1341   8.2891   47.546   19.143   55.881   21.865 -8.334827 29.06045 
1 1 1    1   12   60 o   70.216   13.870   12.761   4.9163   18.320   7.2467   8.0205   6.6919   83.099   19.064   57.332   20.151 25.76654 27.73993 
1 1 1    1   12   61 o   69.854   13.569   12.692   4.9681   20.291   7.2373   5.9197   6.8321   87.320   18.319   52.388   20.021 34.93282 27.13738 
1 1 1    1   12   62 o   61.370   14.684   8.1057   5.3326   16.611   8.4434   2.4617   6.8779   76.849   22.239   45.890   19.182 30.95918 29.36849 
1 1 1    1   12   63 o   80.520   17.262   17.427   6.9264   12.455   8.5794   26.735   11.738   66.927   22.851   94.113   25.880 -27.18548 34.52458 
1 1 1    1   12   64 o   86.072   14.475   21.110   5.6745   20.192   7.4084   22.412   8.8264   84.777   19.150   87.367   21.712 -2.589691 28.95072 
1 1 1    1   12   65 o   73.490   15.199   15.781   5.5186   16.073   7.2015   15.367   8.5894   75.045   20.121   71.934   22.785 3.111290 30.39745 
1 1 1    1   12   66 o   50.498   14.369   4.8233   5.5074   10.297   7.8991  -0.3540   7.6826   59.270   21.757   41.726   18.776 17.54306 28.73837 
1 1 1    1   12   67 o   60.364   15.636   11.307   5.8281   9.1600   8.2616   13.435   8.2229   56.133   21.865   64.595   22.358 -8.461639 31.27237 
1 1 1    1   12   68 o   75.974   14.540   19.115   5.4870   22.408   7.0365   14.007   8.7646   87.675   17.781   64.274   23.011 23.40103 29.08056 
1 1 1    1   12   69 o   74.854   12.607   18.482   5.5720   29.765   7.3195   2.9323   8.5928  104.097   15.045   45.612   20.234 58.48487 25.21495 
1 1 1    1   13    0 o   14.563   6.9804  -1.0568   2.0050  -1.0568   2.0050  -1.0568   2.0050   14.563   9.8718   14.563   9.8718 -0.000000 0.000000 
1 1 1    1   13    1 o  431.301   21.949  453.485   42.693  398.317   67.490  490.289   55.125  407.663   35.424  454.938   25.927 -47.27524 43.89818 
1 1 1    1   13    2 o  704.076   34.973  1232.20  111.587  1133.49  176.423  1298.02  144.065  675.705   55.867  732.447   42.086 -56.74194 69.94545 
1 1 1    1   13    3 o   85.511   7.6407   16.503   2.9742   23.012   4.6836   12.106   3.8501   99.138   10.109   71.885   11.460 27.25308 15.28132 
1 1 1    1   13    4 o  724.603   32.591  1265.83  108.426  1321.63  171.440  1228.64  139.977  735.501   49.875  713.705   41.966 21.79565 65.18178 
1 1 1    1   13    5 o  632.823   33.723  975.967   99.181  1090.11  140.277  861.870  140.250  671.407   44.705  594.239   50.501 77.16809 67.44555 
1 1 1    1   13    6 o  639.149   48.554  1141.95  124.608  745.555  215.767  1340.32  152.635  532.697   86.669  745.601   43.803 -212.9036 97.10895 
1 1 1    1   13    7 o  378.954   20.667  340.096   36.601  336.207   51.755  343.987   51.768  376.758   29.393  381.150   29.062 -4.391876 41.33470 
1 1 1    1   13    8 o  945.766   51.283  2284.51  220.437  1715.11  311.712  2854.16  311.777  816.923   81.645  1074.61   62.080 -257.6863 102.5662 
1 1 1    1   13    9 o  584.685   27.319  816.812   74.545  865.848  105.430  767.792  105.414  602.627   37.435  566.744   39.799 35.88293 54.63780 
1 1 1    1   13   10 o  1230.94  101.592  4531.46  541.612  4517.61  663.334  4559.15  938.109  1284.75  110.477  1177.13  170.524 107.6166 203.1832 
1 1 1    1   13   11 o  501.759   39.282  614.224   91.857  665.037  129.910  563.418  129.902  523.425   53.106  480.092   57.896 43.33313 78.56341 
1 1 1    1   13   12 o  771.381   40.355  1482.23  140.126  1921.60  198.210  1043.24  198.126  893.198   47.483  649.565   65.264 243.6335 80.70966 
1 1 1    1   13   13 o  625.355   35.633  881.073  100.084  1200.86  173.426  721.388  122.550  703.616   52.739  547.095   47.930 156.5209 71.26538 
1 1 1    1   13   14 o  1016.55   67.213  2601.74  305.552  3122.43  529.276  2341.46  374.207  1077.08  105.146  956.021   83.753 121.0609 134.4254 
1 1 1    1   13   15 o  440.329   34.320  468.581   70.433  429.662   99.591  507.524   99.623  421.413   50.567  459.245   46.417 -37.83170 68.64080 
1 1 1    1   13   16 o  900.355   76.824  2212.10  320.876  1945.94  453.765  2478.32  453.810  837.101  115.987  963.609  100.770 -126.5081 153.6476 
1 1 1    1   13   17 o  792.644   92.634  1647.09  343.156  1647.09  343.156   0.0000   0.0000  792.644   92.634  ?   ?       ?      ? 
1 1 1    1   13   18 o  247.875   15.770  134.317   17.541  109.148   21.454  185.066   30.464  215.419   21.310  280.331   23.253 -64.91156 31.54037 
1 1 1    1   13   19 o  309.157   22.234  237.026   29.441  256.398   36.066  198.338   50.969  329.944   23.390  288.371   37.819 41.57309 44.46737 
1 1 1    1   13   20 o  887.674   75.840  2147.98  314.298  2245.28  444.506  2050.70  444.463  911.120  104.390  864.229  110.043 46.89056 151.6802 
1 1 1    1   13   21 o  335.776   21.537  259.587   32.215  292.300   55.922  243.338   39.412  350.551   34.134  321.001   26.271 29.55011 43.07360 
1 1 1    1   13   22 o  407.336   22.416  396.091   42.439  349.216   60.016  442.969   60.019  382.712   33.555  431.960   29.731 -49.24753 44.83109 
1 1 1    1   13   23 o  207.512   12.589  101.349   12.199  105.403   17.174   97.220   17.331  211.737   17.355  203.287   18.242 8.449707 25.17868 
1 1 1    1   13   24 o  622.603   52.644  1013.23  151.870  1150.12  214.752  876.281  214.801  669.666   68.618  575.540   79.858 94.12585 105.2883 
1 1 1    1   13   25 o  474.620   37.823  573.685   79.586  376.646  112.478  771.236  112.625  385.691   62.400  563.550   42.762 -177.8584 75.64647 
1 1 1    1   13   26 o  337.540   27.062  283.419   40.464  182.841   57.111  384.807   57.340  273.545   44.673  401.534   30.556 -127.9888 54.12368 
1 1 1    1   13   27 o  188.531   18.030   88.405   14.454   52.996   20.222  125.386   20.666  146.408   30.542  230.654   19.171 -84.24596 36.06049 
1 1 1    1   13   28 o  270.825   22.371  175.557   28.314  176.725   40.155  174.401   39.932  271.725   31.620  269.925   31.654 1.799927 44.74174 
1 1 1    1   13   29 o  105.744   23.402   27.532   11.259   27.532   11.259   0.0000   0.0000  105.744   23.402  ?   ?       ?      ? 
1 1 1    1   13   30 o  398.853   45.535  393.345   84.879  393.345   84.879   0.0000   0.0000  398.853   45.535  ?   ?       ?      ? 
1 1 1    1   13   31 o  411.964   47.198  422.077   90.871   0.0000   0.0000  422.077   90.871  ?   ?   411.964   47.198      ?      ? 
1 1 1    1   13   32 f  224.453   28.119  121.247   29.496   0.0000   0.0000  121.247   29.496  ?   ?   224.453   28.119      ?      ? 
1 1 1    1   13   33 o   82.386   22.681   16.748   9.0090   16.748   9.0090   0.0000   0.0000   82.386   22.681  ?   ?       ?      ? 
1 1 1    1   13   34 o  248.082   19.099  149.684   20.790  146.578   35.957  151.244   25.481  244.621   31.452  251.543   21.676 -6.921661 38.19727 
1 1 1    1   13   35 o  131.351   14.130   41.205   7.8507   40.362   9.4675   43.059   14.046  130.638   15.507  132.064   23.625 -1.426514 28.25985 
1 1 1    1   13   36 o  206.500   13.222  101.773   12.698   90.231   17.922  113.409   17.995  194.500   19.716  218.501   17.622 -24.00102 26.44335 
1 1 1    1   13   37 o  138.291   16.605   46.715   10.517   45.014   14.676   48.511   15.078  134.637   24.215  141.945   22.729 -7.308228 33.21096 
1 1 1    1   13   38 o  206.881   16.551  104.498   15.000  101.271   25.947  106.118   18.383  203.123   27.333  210.639   18.674 -7.515686 33.10247 
1 1 1    1   13   39 o  101.246   11.624   24.875   5.3573   26.673   7.4691   22.970   7.6883  105.917   15.089   96.576   17.686 9.340508 23.24800 
1 1 1    1   13   40 o  168.128   12.034   68.275   9.2768   83.567   13.164   53.190   13.075  187.445   15.027  148.810   18.800 38.63524 24.06788 
1 1 1    1   13   41 o  168.034   11.791   67.525   9.2585   69.143   13.166   65.942   13.022  170.051   16.566  166.018   16.784 4.033096 23.58272 
1 1 1    1   13   42 o  232.268   19.646  142.331   19.300  114.004   33.255  156.718   23.699  210.142   33.861  254.394   19.933 -44.25204 39.29259 
1 1 1    1   13   43 o  122.358   15.026   39.555   7.5463   43.551   9.1605   31.115   13.311  135.099   14.508  109.617   26.317 25.48266 30.05109 
1 1 1    1   13   44 o  255.392   33.002  171.459   39.391  171.459   39.391   0.0000   0.0000  255.392   33.002  ?   ?       ?      ? 
1 1 1    1   13   45 o   85.486   15.368   18.167   5.9781   21.212   9.9446   16.444   7.4807   90.580   23.345   80.391   19.994 10.18855 30.73670 
1 1 1    1   13   46 o  150.272   14.092   53.505   9.5102   61.449   16.241   49.360   11.732  157.758   22.029  142.786   17.581 14.97160 28.18421 
1 1 1    1   13   47 o   80.682   17.926   16.574   7.5352   16.261   10.741   16.878   10.573   80.093   25.491   81.271   25.212 -1.178383 35.85295 
1 1 1    1   13   48 o  262.898   21.461  172.580   26.369  172.580   26.369   0.0000   0.0000  262.898   21.461  ?   ?       ?      ? 
1 1 1    1   13   49 f  126.933   16.513   44.375   8.6118   49.358   10.422   33.653   15.289  142.750   15.623  111.116   29.097 31.63439 33.02590 
1 1 1    1   13   50 o  163.629   18.195   69.298   13.428   56.920   18.566   82.871   19.443  145.891   28.251  181.367   22.938 -35.47554 36.39088 
1 1 1    1   13   51 o  167.215   19.362   73.946   14.516   86.662   20.288   60.606   20.779  185.325   23.424  149.106   30.836 36.21935 38.72411 
1 1 1    1   13   52 o   83.802   16.049   18.082   6.3363   20.078   10.082   16.778   8.1463   87.222   23.985   80.383   21.331 6.838928 32.09842 
1 1 1    1   13   53 o   89.607   13.712   21.430   5.9218   32.112   8.1924   9.7413   8.5698  114.861   15.262   64.353   22.784 50.50774 27.42339 
1 1 1    1   13   54 o  161.788   11.860   64.893   8.6447   67.141   11.001   61.265   13.977  166.601   14.129  156.975   19.052 9.626022 23.71981 
1 1 1    1   13   55 o  140.512   15.404   49.624   8.4381   48.190   9.6998   54.085   17.109  140.516   14.770  140.509   27.036 0.7156372E-02 30.80776 
1 1 1    1   13   56 o   92.344   17.494   22.855   7.3483   21.953   8.9059   24.778   13.006   90.918   21.328   93.770   27.736 -2.852509 34.98797 
1 1 1    1   13   57 o   73.382   15.208   13.906   5.8836   20.508   8.4690   7.7474   8.1798   87.718   20.947   59.047   22.053 28.67004 30.41553 
1 1 1    1   13   58 o   56.290   14.690   6.9903   5.0676   5.7710   6.6906   8.6311   7.7613   52.527   19.875   60.053   21.638 -7.525841 29.38062 
1 1 1    1   13   59 o  127.611   10.897   40.732   6.4502   36.259   9.2800   44.914   8.9718  120.219   16.517  135.003   14.220 -14.78417 21.79488 
1 1 1    1   13   60 o   93.014   14.125   22.334   5.7526   27.377   9.7753   19.662   7.1151   99.904   21.568   86.124   18.245 13.77987 28.24983 
1 1 1    1   13   61 o   53.318   13.926   6.4026   4.9606  -0.2315   8.4068   9.9462   6.1442   45.542   20.118   61.095   19.262 -15.55328 27.85235 
1 1 1    1   13   62 o   52.748   14.776   4.6117   5.6732   9.6516   8.1641  -0.0945   7.8893   61.156   22.168   44.340   19.543 16.81569 29.55268 
1 1 1    1   13   63 o   65.734   17.542   10.738   6.8791   18.461   12.579   7.4436   8.2166   75.790   27.511   55.678   21.773 20.11160 35.08424 
1 1 1    1   13   64 o   51.200   15.449   1.9878   5.4673  -0.3708   6.1712   10.593   11.788   38.799   17.183   63.601   25.679 -24.80177 30.89743 
1 1 1    1   13   65 o   70.258   15.502   14.589   5.5258   12.719   7.0250   17.623   8.9492   65.556   20.586   74.960   23.185 -9.403702 31.00490 
1 1 1    1   13   66 o   50.087   14.733   5.3965   5.7493   7.4554   8.1303   3.3372   8.1311   53.286   21.392   46.888   20.263 6.398132 29.46537 
1 1 1    1   13   67 o   59.246   14.648   9.8970   5.0702   16.505   8.1537   5.7313   6.4740   70.595   22.179   47.897   19.138 22.69803 29.29502 
1 1 1    1   13   68 o   66.103   15.263   14.034   5.4337   11.018   7.1702   18.102   8.3279   58.817   20.839   73.389   22.306 -14.57243 30.52565 
1 1 1    1   13   69 o   84.266   16.054   25.476   6.6204   20.669   9.5269   29.965   9.2068   73.500   24.061   95.031   21.262 -21.53142 32.10883 
1 1 1    1   14    0 o  450.853   25.024  487.737   73.510  487.737   73.510  487.737   73.510  450.853   35.389  450.853   35.389 -0.000000 0.000000 
1 1 1    1   14    1 o  513.149   25.719  661.831   57.941  493.972   91.580  773.870   74.819  453.928   43.169  572.371   27.970 -118.4422 51.43814 
1 1 1    1   14    2 o  264.693   13.681  165.672   16.520  159.287   26.118  169.929   21.327  260.256   21.474  269.130   16.956 -8.874847 27.36109 
1 1 1    1   14    3 o  393.362   19.047  368.637   34.120  348.951   53.939  381.769   44.055  384.047   30.052  402.677   23.410 -18.62985 38.09390 
1 1 1    1   14    4 o  191.431   12.248   79.341   9.7920  101.061   19.631   72.146   11.298  207.378   20.255  175.483   13.776 31.89569 24.49542 
1 1 1    1   14    5 o  315.363   16.133  236.022   23.187  224.721   36.654  243.562   29.938  308.749   25.402  321.977   19.895 -13.22778 32.26608 
1 1 1    1   14    6 o  595.478   26.989  819.763   73.977  1021.23  117.002  685.579   95.486  654.584   38.246  536.373   38.092 118.2112 53.97895 
1 1 1    1   14    7 o  617.991   32.597  918.916   94.042  870.617  132.992  967.221  132.999  601.268   47.328  634.714   44.836 -33.44702 65.19324 
1 1 1    1   14    8 o  1043.51   95.904  3184.94  467.236  3052.68  660.774  3317.19  660.768  1016.39  139.108  1070.62  132.059 -54.23950 191.8089 
1 1 1    1   14    9 o  473.877   24.944  533.899   55.209  555.364   78.079  512.436   78.075  483.568   34.549  464.185   35.990 19.38275 49.88882 
1 1 1    1   14   10 o   96.513   11.704   22.922   4.7521   20.429   8.2982   24.139   5.7968   91.493   19.968  101.532   12.216 -10.03886 23.40813 
1 1 1    1   14   11 o  349.676   23.206  285.726   35.973  303.431   62.335  276.885   44.049  356.917   37.370  342.435   27.524 14.48151 46.41215 
1 1 1    1   14   12 o  819.945   71.420  2016.11  220.265  1234.49  381.440  2407.14  269.794  648.137  130.442  991.754   58.208 -343.6165 142.8402 
1 1 1    1   14   13 o  294.080   23.577  205.340   32.383  196.900   45.785  213.791   45.810  287.936   34.024  300.224   32.649 -12.28732 47.15458 
1 1 1    1   14   14 o  503.684   39.193  627.048   90.065  777.435  127.418  476.883  127.324  567.515   48.041  439.852   61.939 127.6636 78.38569 
1 1 1    1   14   15 o  821.752   68.736  1793.36  263.979  1798.09  373.323  1788.63  373.322  822.984   97.062  820.521   97.354 2.462830 137.4729 
1 1 1    1   14   16 f  826.562   61.206  1812.78  217.386  1904.75  266.246  1628.86  376.512  876.465   64.999  776.658  103.730 99.80658 122.4125 
1 1 1    1   14   17 o  338.337   20.528  254.240   31.198  214.773   38.200  333.284   54.061  301.576   27.104  375.098   30.839 -73.52185 41.05665 
1 1 1    1   14   18 o  255.064   14.738  153.218   17.530  165.075   24.809  141.395   24.773  264.995   20.032  245.132   21.624 19.86266 29.47676 
1 1 1    1   14   19 o  297.951   20.553  209.466   27.011  213.225   46.821  207.591   33.069  299.264   33.477  296.639   23.854 2.624878 41.10604 
1 1 1    1   14   20 o  446.287   35.306  487.993   73.637  490.277  104.186  485.714  104.092  447.371   49.831  445.203   50.028 2.168091 70.61125 
1 1 1    1   14   21 o   89.945   13.565   19.271   5.2312   21.065   9.2951   18.439   6.3286   92.657   21.825   87.232   16.117 5.424835 27.13091 
1 1 1    1   14   22 o   76.343   16.687   14.228   5.7874   0.0000   0.0000   14.228   5.7874  ?   ?    76.343   16.687      ?      ? 
1 1 1    1   14   23 o  518.819   40.992  675.473   99.205  630.207  140.195  720.872  140.400  500.151   59.978  537.488   55.893 -37.33698 81.98365 
1 1 1    1   14   24 o  130.269   14.587   40.493   8.6397   35.082   11.900   46.523   12.564  120.029   22.026  140.510   19.132 -20.48064 29.17491 
1 1 1    1   14   25 o  125.525   14.956   38.011   8.3125   25.156   11.341   52.936   12.220  101.070   24.307  149.980   17.433 -48.90952 29.91235 
1 1 1    1   14   26 f  124.120   14.561   36.776   8.2141   31.603   11.271   42.636   11.996  113.756   21.995  134.485   19.087 -20.72968 29.12218 
1 1 1    1   14   27 o  367.895   29.751  331.534   51.110  316.915   72.314  346.127   72.247  359.391   43.054  376.398   41.070 -17.00626 59.50147 
1 1 1    1   14   28 o  171.399   17.059   69.838   13.643   74.373   19.309   65.316   19.280  177.050   23.336  165.747   24.890 11.30305 34.11845 
1 1 1    1   14   29 o  152.138   16.885   56.094   11.527   44.264   16.104   68.523   16.507  134.059   26.643  170.218   20.750 -36.15941 33.76981 
1 1 1    1   14   30 o   94.322   24.322   22.007   10.791   0.0000   0.0000   22.007   10.791  ?   ?    94.322   24.322      ?      ? 
1 1 1    1   14   31 o  116.953   15.380   32.300   8.4062   0.0000   0.0000   32.300   8.4062  ?   ?   116.953   15.380      ?      ? 
1 1 1    1   14   32 o  293.255   25.961  215.416   35.161  250.001   49.568  180.390   49.883  318.710   33.278  267.801   39.856 50.90878 51.92260 
1 1 1    1   14   33 o   51.596   11.243   4.4001   3.7203  -3.1219   5.2720   11.861   5.2505   33.778   15.342   69.413   16.439 -35.63506 22.48566 
1 1 1    1   14   34 o  236.502   16.477  126.483   17.470  108.334   21.344  163.324   30.410  212.799   21.461  260.206   25.007 -47.40625 32.95319 
1 1 1    1   14   35 o  171.529   11.344   69.735   9.0941   69.822   12.848   69.648   12.874  171.640   16.017  171.418   16.070 0.2217560 22.68887 
1 1 1    1   14   36 o  148.357   13.316   49.788   8.8728   62.831   15.348   43.240   10.874  161.923   20.281  134.791   17.262 27.13197 26.63271 
1 1 1    1   14   37 o  389.149   21.905  380.920   39.262  310.882   55.482  451.171   55.567  350.600   33.861  427.697   27.799 -77.09766 43.81079 
1 1 1    1   14   38 o  215.763   13.860  112.825   13.803  132.945   19.552   92.835   19.489  235.642   17.754  195.885   21.288 39.75728 27.71964 
1 1 1    1   14   39 o  207.225   16.180  105.229   14.637  106.580   17.874  102.480   25.504  210.806   18.142  203.645   26.797 7.160995 32.36061 
1 1 1    1   14   40 o  153.416   16.199   61.243   10.133   50.624   17.904   66.247   12.291  140.257   28.290  166.574   15.788 -26.31709 32.39719 
1 1 1    1   14   41 o  142.071   15.906   53.506   9.1881   59.377   11.197   41.404   16.076  157.718   15.191  126.425   27.952 31.29274 31.81281 
1 1 1    1   14   42 o  151.803   12.933   50.635   8.7425   38.513   10.621   76.110   15.397  126.278   17.996  177.329   18.578 -51.05038 25.86549 
1 1 1    1   14   43 o  252.988   15.279  157.742   18.065  156.975   25.461  158.520   25.634  252.381   21.586  253.594   21.629 -1.213379 30.55776 
1 1 1    1   14   44 o   67.628   15.432   11.206   5.4080   9.8839   9.3898   11.862   6.6154   66.555   23.819   68.700   19.627 -2.145073 30.86350 
1 1 1    1   14   45 o  147.421   17.652   55.248   11.847   49.976   16.752   60.522   16.755  138.651   26.822  156.190   22.954 -17.53929 35.30313 
1 1 1    1   14   46 o   36.336   12.142  -8.1945   5.4198  -8.6084   7.5150  -7.7460   7.8238   35.441   16.820   37.230   17.515 -1.788502 24.28345 
1 1 1    1   14   47 o  102.976   15.420   26.522   6.8116   24.922   8.2505   29.946   12.071   99.392   18.441  106.561   24.718 -7.168594 30.83916 
1 1 1    1   14   48 o  230.682   31.907  143.239   34.399   0.0000   0.0000  143.239   34.399  ?   ?   230.682   31.907      ?      ? 
1 1 1    1   14   49 o   92.399   25.879   22.645   11.621   0.0000   0.0000   22.645   11.621  ?   ?    92.399   25.879      ?      ? 
1 1 1    1   14   50 o   60.165   16.164   5.4674   6.7463  -1.3968   9.4773   12.518   9.6055   48.763   21.459   71.567   24.180 -22.80365 32.32879 
1 1 1    1   14   51 o  249.174   20.710  166.707   22.486  159.520   38.617  170.393   27.659  239.079   34.561  259.270   22.827 -20.19051 41.41922 
1 1 1    1   14   52 o   63.734   14.387   10.451   5.5257   15.433   6.5667  -1.6319   10.227   77.516   18.402   49.953   22.122 27.56328 28.77481 
1 1 1    1   14   53 o   77.150   14.101   15.275   5.6404   24.229   7.9465   6.1846   8.0073   97.742   18.061   56.557   21.660 41.18506 28.20258 
1 1 1    1   14   54 o   64.488   14.120   9.6949   5.2903   17.097   7.4517   2.1731   7.5120   80.860   19.862   48.117   20.074 32.74229 28.23965 
1 1 1    1   14   55 o   92.331   14.687   22.537   6.2106   18.777   8.7145   26.418   8.8532   83.792   21.980  100.870   19.485 -17.07765 29.37358 
1 1 1    1   14   56 o   68.296   16.585   10.517   6.2685   6.7834   7.7658   17.498   10.619   56.575   21.411   80.016   25.333 -23.44039 33.16948 
1 1 1    1   14   57 o   73.270   15.938   14.748   5.7846   15.924   6.7734   11.580   11.119   77.718   18.844   68.821   25.709 8.896339 31.87541 
1 1 1    1   14   58 o   74.439   14.574   15.083   5.2361   16.271   6.7891   13.340   8.2261   78.407   18.776   70.471   22.295 7.936142 29.14783 
1 1 1    1   14   59 o   57.956   15.070   7.9187   5.4008   6.2610   7.6115   9.5995   7.6644   54.502   21.055   61.409   21.566 -6.907372 30.13975 
1 1 1    1   14   60 o  131.985   11.748   43.794   7.1652   39.837   9.3234   49.504   11.199  125.283   15.924  138.688   17.278 -13.40485 23.49651 
1 1 1    1   14   61 o   47.324   12.367   2.3528   4.7010 -11.1507   7.7766   10.129   5.9013   33.139   16.078   61.509   18.795 -28.36967 24.73333 
1 1 1    1   14   62 o   50.946   14.502   4.2090   5.4884   0.0217   7.4590   9.1526   8.1046   42.833   18.934   59.058   21.972 -16.22526 29.00456 
1 1 1    1   14   63 o   94.918   15.748   26.529   6.8575   26.223   10.010   26.800   9.4132   93.674   23.028   96.162   21.487 -2.488907 31.49559 
1 1 1    1   14   64 o   45.605   13.280   2.6547   4.6697  -0.6836   6.1987   7.0353   7.1007   38.114   17.029   53.097   20.383 -14.98316 26.56013 
1 1 1    1   14   65 o   47.180   14.204   3.7665   5.4637   4.9320   8.2082   2.8392   7.3214   49.429   20.825   44.931   19.322 4.498913 28.40851 
1 1 1    1   14   66 o   58.658   13.982   10.787   5.0780   3.8413   8.3365   14.885   6.4029   47.252   20.469   70.064   19.052 -22.81259 27.96320 
1 1 1    1   14   67 o   53.255   13.486   8.3422   4.3312   10.088   5.9881   6.4264   6.2723   57.543   19.087   48.968   19.058 8.575462 26.97281 
1 1 1    1   14   68 o   58.120   12.576   9.8728   4.4757   17.835   6.3186   1.8556   6.3405   76.317   18.007   39.922   17.561 36.39495 25.15175 
1 1 1    1   15    0 o  1467.47   86.275  5636.82  823.472  5636.82  823.472  5636.82  823.472  1467.47  122.011  1467.47  122.011 -0.000000 0.000000 
1 1 1    1   15    1 o  168.093   9.7049   65.589   7.4984   69.466   11.863   63.009   9.6766  172.158   14.744  164.028   12.623 8.130768 19.40979 
1 1 1    1   15    2 o  276.089   13.970  177.725   17.719  186.302   28.020  172.009   22.874  281.478   21.300  270.701   18.080 10.77698 27.93910 
1 1 1    1   15    3 o  338.630   16.343  273.585   25.139  253.199   39.747  287.178   32.456  327.648   25.957  349.612   19.864 -21.96381 32.68550 
1 1 1    1   15    4 o  1370.10   97.934  5443.11  528.202  5620.37  1056.40  5384.02  609.917  1302.28  173.572  1437.93   90.759 -135.6453 195.8683 
1 1 1    1   15    5 o  196.483   10.757   90.606   9.6784   89.982   15.270   91.024   12.513  195.853   16.683  197.113   13.583 -1.259369 21.51303 
1 1 1    1   15    6 o  161.967   9.4674   60.798   7.0484   64.974   11.169   58.034   9.0862  166.509   14.353  157.424   12.350 9.085480 18.93484 
1 1 1    1   15    7 o  302.893   16.980  216.248   24.015  205.845   33.964  226.649   33.961  295.545   24.590  310.241   23.423 -14.69662 33.95998 
1 1 1    1   15    8 o  898.271   77.173  2204.50  323.589  2097.51  457.619  2311.49  457.628  872.788  112.189  923.755  106.002 -50.96625 154.3466 
1 1 1    1   15    9 o  569.829   34.225  748.140   87.404  912.886  151.439  665.851  107.029  612.917   52.868  526.741   43.477 86.17603 68.44928 
1 1 1    1   15   10 o  289.970   32.975  199.557   44.688   0.0000   0.0000  199.557   44.688  ?   ?   289.970   32.975      ?      ? 
1 1 1    1   15   11 o  394.151   30.880  373.915   56.656  411.467   80.144  336.401   80.104  414.524   41.369  373.778   45.856 40.74573 61.75957 
1 1 1    1   15   12 o  405.710   25.074  375.696   45.530  340.148   55.745  446.930   78.912  378.824   31.487  432.596   39.032 -53.77206 50.14849 
1 1 1    1   15   13 o  222.723   18.916  119.140   19.128  151.910   27.131   86.750   26.973  254.016   22.854  191.429   30.149 62.58734 37.83200 
1 1 1    1   15   14 f  459.426   30.418  502.357   61.741  493.719   75.609  519.643  106.961  455.474   35.519  463.378   49.391 -7.903412 60.83654 
1 1 1    1   15   15 o  468.289   32.436  539.307   66.060  559.304   80.915  499.336  114.397  484.466   35.738  452.112   54.141 32.35355 64.87214 
1 1 1    1   15   16 o  429.308   23.322  438.855   46.792  437.783   66.172  439.927   66.175  428.774   33.022  429.842   32.942 -1.067963 46.64344 
1 1 1    1   15   17 o  465.339   34.244  557.770   67.571  451.493  116.971  610.998   82.781  425.378   58.838  505.301   35.054 -79.92273 68.48891 
1 1 1    1   15   18 o  110.003   9.4576   28.362   4.8537   28.074   6.6552   28.688   7.0942  109.419   13.014  110.588   13.726 -1.168205 18.91519 
1 1 1    1   15   19 o  270.951   20.608  182.634   23.948  152.596   41.314  197.833   29.388  252.350   35.031  289.552   21.717 -37.20250 41.21681 
1 1 1    1   15   20 o  536.906   61.172  727.308  153.493   0.0000   0.0000  727.308  153.493  ?   ?   536.906   61.172      ?      ? 
1 1 1    1   15   21 o  495.932   33.158  601.811   72.357  607.286  125.277  599.070   88.636  493.619   54.305  498.244   38.065 -4.624603 66.31691 
1 1 1    1   15   22 o  622.708   73.515  1020.28  213.945   0.0000   0.0000  1020.28  213.945  ?   ?   622.708   73.515      ?      ? 
1 1 1    1   15   23 o  550.352   44.101  784.713  109.394  564.882  154.628  1004.99  154.785  464.821   71.180  635.883   52.085 -171.0623 88.20110 
1 1 1    1   15   24 o  405.555   31.777  407.470   59.111  321.231   83.504  494.089   83.688  359.977   49.635  451.134   39.693 -91.15741 63.55467 
1 1 1    1   15   25 o  333.515   38.225  270.303   59.581  270.303   59.581   0.0000   0.0000  333.515   38.225  ?   ?       ?      ? 
1 1 1    1   15   26 f  366.926   29.632  330.152   50.812  326.170   71.804  334.146   71.914  364.614   42.138  369.237   41.674 -4.623199 59.26461 
1 1 1    1   15   27 o  284.274   23.681  195.453   31.272  171.272   44.186  219.719   44.264  266.049   35.537  302.500   31.310 -36.45053 47.36229 
1 1 1    1   15   28 o  533.176   46.035  763.309  113.483  875.843  160.500  650.807  160.478  578.326   59.383  488.026   70.361 90.30035 92.07035 
1 1 1    1   15   29 o  324.136   22.954  253.966   32.912  265.787   56.933  248.034   40.333  327.505   37.197  320.767   26.905 6.738556 45.90736 
1 1 1    1   15   30 o  405.676   29.461  418.680   52.217  408.234   90.409  423.909   63.963  396.048   48.845  415.303   32.955 -19.25436 58.92290 
1 1 1    1   15   31 o  267.958   15.165  171.854   18.937  187.007   26.824  156.799   26.737  280.009   20.498  255.907   22.356 24.10233 30.33072 
1 1 1    1   15   32 o  130.340   12.390   36.800   7.2086   56.289   12.464   27.003   8.8366  154.033   17.313  106.647   17.729 47.38624 24.78074 
1 1 1    1   15   33 o   36.191   10.794  -0.8852   3.3515  -4.6398   4.7648   2.7914   4.7150   29.637   13.855   42.746   16.555 -13.10945 21.58756 
1 1 1    1   15   34 o  248.561   14.434  148.662   16.627  170.451   23.534  126.946   23.495  267.282   18.840  229.841   21.873 37.44096 28.86775 
1 1 1    1   15   35 o  201.032   12.737   96.953   11.862  111.909   16.832   82.195   16.720  216.830   16.610  185.233   19.314 31.59689 25.47363 
1 1 1    1   15   36 o  120.528   11.324   34.979   6.3050   39.509   8.7215   30.020   9.1254  129.003   14.466  112.053   17.425 16.94958 22.64756 
1 1 1    1   15   37 o  144.975   13.180   49.159   8.6771   45.317   10.875   55.892   14.395  137.723   16.896  152.227   20.234 -14.50417 26.36028 
1 1 1    1   15   38 o  273.002   16.579  182.101   21.152  182.465   29.986  181.741   29.843  273.256   23.480  272.748   23.412 0.5081177 33.15783 
1 1 1    1   15   39 o  127.567   11.517   38.901   6.8446   43.216   9.8462   34.867   9.5215  134.518   15.662  120.616   16.891 13.90233 23.03485 
1 1 1    1   15   40 o   97.660   12.580   23.731   5.5376   27.982   7.6682   19.098   8.0052  108.235   15.159   87.086   20.080 21.14952 25.15964 
1 1 1    1   15   41 o   59.176   15.643   5.8737   6.2515  -0.6283   9.2564   11.327   8.4768   49.582   21.523   68.770   22.705 -19.18832 31.28541 
1 1 1    1   15   42 o  124.572   16.836   37.515   9.8017   0.0000   0.0000   37.515   9.8017  ?   ?   124.572   16.836      ?      ? 
1 1 1    1   15   43 o  153.786   18.317   61.465   12.484   43.816   17.590   79.376   17.720  128.011   29.937  179.562   21.116 -51.55086 36.63447 
1 1 1    1   15   44 o  122.130   15.276   38.288   7.9968   34.335   13.484   40.433   9.9319  114.782   25.768  129.478   16.413 -14.69589 30.55154 
1 1 1    1   15   45 o   57.545   15.561   4.8679   6.2197  -1.0244   8.7530   10.877   8.8396   47.418   20.751   67.672   23.194 -20.25387 31.12160 
1 1 1    1   15   46 o   80.627   15.398   17.994   6.0677   21.687   7.3983   10.406   10.605   92.794   17.706   68.461   25.197 24.33286 30.79595 
1 1 1    1   15   47 o   47.831   18.477   3.9337   5.8621   3.9337   5.8621   0.0000   0.0000   47.831   18.477  ?   ?       ?      ? 
1 1 1    1   15   48 o   39.898   12.596  -1.9514   4.6936   0.1999   5.7004  -6.4800   8.2708   40.059   17.133   39.738   18.468 0.3204460 25.19182 
1 1 1    1   15   49 o   44.114   13.979  -2.7479   5.9017  -1.4462   7.6516  -4.6595   9.2726   43.683   19.250   44.545   20.276 -0.8613243 27.95870 
1 1 1    1   15   50 o  110.712   18.051   30.213   9.3398   0.0000   0.0000   30.213   9.3398  ?   ?   110.712   18.051      ?      ? 
1 1 1    1   15   51 o  168.898   16.050   72.635   11.939   72.749   20.503   72.576   14.686  166.566   26.338  171.231   18.351 -4.664978 32.10076 
1 1 1    1   15   52 o  107.014   14.123   30.267   6.7416   42.036   9.4524   18.084   9.6177  131.379   15.395   82.650   23.682 48.72871 28.24632 
1 1 1    1   15   53 o   50.236   14.798   2.6285   5.7178   0.4061   9.2461   4.0046   7.2757   49.761   21.556   50.711   20.280 -0.9501152 29.59614 
1 1 1    1   15   54 o  136.668   19.147   52.231   12.087   79.962   17.593   27.436   16.635  176.415   21.338   96.922   31.798 79.49259 38.29367 
1 1 1    1   15   55 o  248.480   21.472  173.550   23.325  179.266   40.428  170.698   28.557  243.348   35.548  253.611   24.093 -10.26393 42.94326 
1 1 1    1   15   56 o   73.174   17.910   13.205   7.8729   20.986   11.437   6.1959   10.854   86.227   26.125   60.120   24.506 26.10630 35.81969 
1 1 1    1   15   57 o   62.429   14.809   9.4622   5.4163   14.518   7.6414   4.3573   7.6782   73.362   21.135   51.496   20.748 21.86676 29.61708 
1 1 1    1   15   58 o   98.773   14.426   26.377   6.5554   33.292   9.2516   19.405   9.2900  114.350   17.312   83.195   23.082 31.15488 28.85248 
1 1 1    1   15   59 o  137.651   11.560   46.683   7.3086   37.842   9.4266   60.007   11.572  121.698   16.574  153.604   16.120 -31.90690 23.12024 
1 1 1    1   15   60 o   45.132   13.456   2.0098   4.8816   3.3641   6.5769   0.3486   7.2843   46.730   19.065   43.534   18.993 3.196613 26.91162 
1 1 1    1   15   61 o  106.931   27.375   36.187   13.739   36.187   13.739   0.0000   0.0000  106.931   27.375  ?   ?       ?      ? 
1 1 1    1   15   62 o   54.561   14.714   7.5185   5.4177   10.255   6.2091  -1.2122   11.090   60.550   19.393   48.571   22.134 11.97907 29.42775 
1 1 1    1   15   63 o   85.329   15.107   23.727   6.3514   28.327   7.6125   13.188   11.522  104.118   15.644   66.541   25.849 37.57758 30.21422 
1 1 1    1   15   64 o   48.334   12.600   1.3874   4.8809 -10.0558   6.7910   13.615   7.0199   29.928   14.631   66.740   20.516 -36.81197 25.19902 
1 1 1    1   15   65 o   56.070   15.795   6.9433   5.9389   16.877   10.704   2.5251   7.1385   68.519   25.298   43.622   18.919 24.89714 31.58961 
1 1 1    1   15   66 f   60.751   13.699   11.865   5.0329   3.8770   8.2331   16.630   6.3594   46.910   20.331   74.591   18.365 -27.68080 27.39775 
1 1 1    1   15   67 f   50.723   11.596   4.6579   4.2838   15.709   6.0751  -6.2709   6.0415   71.507   18.148   29.940   14.439 41.56667 23.19140 
1 1 1    1   16    0 o  291.544   16.939  203.413   32.133  203.413   32.133  203.413   32.133  291.544   23.955  291.544   23.955 -0.000000 0.000000 
1 1 1    1   16    1 o  666.419   34.044  1080.44  104.694  1271.58  148.089  889.453  148.030  727.760   43.540  605.077   52.347 122.6836 68.08829 
1 1 1    1   16    2 o  151.605   9.4433   53.900   6.5522   53.580   10.359   54.114   8.4593  151.190   14.661  152.021   11.907 -0.8307800 18.88660 
1 1 1    1   16    3 o  144.182   9.7131   51.464   6.1678   38.154   9.6870   60.539   7.9986  127.537   16.252  160.826   10.642 -33.28869 19.42621 
1 1 1    1   16    4 f  558.773   23.839  743.385   62.011  668.858   87.682  817.963   87.712  530.226   35.384  587.320   31.955 -57.09406 47.67764 
1 1 1    1   16    5 o  508.375   21.447  587.827   49.529  829.652   78.373  427.028   63.909  592.436   28.306  424.313   32.228 168.1231 42.89394 
1 1 1    1   16    6 o  552.808   35.361  719.523   87.088  807.731  150.871  675.445  106.650  575.009   56.142  530.607   43.007 44.40253 70.72169 
1 1 1    1   16    7 o  368.413   23.992  315.501   39.301  344.811   68.089  300.858   48.127  380.140   38.326  356.685   28.871 23.45410 47.98337 
1 1 1    1   16    8 o  603.542   47.779  907.726  134.707  877.876  190.497  937.581  190.513  592.960   68.742  614.123   66.378 -21.16388 95.55890 
1 1 1    1   16    9 o  260.395   21.998  163.310   26.080  205.263   36.905  121.460   36.860  294.825   26.784  225.966   34.903 68.85855 43.99585 
1 1 1    1   16   10 o  360.414   28.103  307.221   47.337  307.221   47.337   0.0000   0.0000  360.414   28.103  ?   ?       ?      ? 
1 1 1    1   16   11 o  476.322   31.599  543.112   66.471  533.988   81.401  561.372  115.158  472.792   36.840  479.853   51.350 -7.061371 63.19831 
1 1 1    1   16   12 o  349.731   29.694  310.565   43.670  438.859   61.848  183.013   61.669  429.699   30.798  269.762   50.778 159.9377 59.38803 
1 1 1    1   16   13 o  355.257   24.004  299.632   37.648  295.646   46.104  307.609   65.220  353.000   27.946  357.513   39.034 -4.512665 48.00701 
1 1 1    1   16   14 o  194.301   19.641  108.568   14.315   54.702   24.717  135.758   17.561  148.168   36.039  240.433   15.628 -92.26482 39.28196 
1 1 1    1   16   15 o  505.995   57.216  638.713  135.302   0.0000   0.0000  638.713  135.302  ?   ?   505.995   57.216      ?      ? 
1 1 1    1   16   16 o  224.438   16.671  119.079   16.509  119.066   28.480  119.086   20.260  224.001   27.205  224.875   19.277 -0.8743896 33.34265 
1 1 1    1   16   17 o  654.088   42.655  1072.51  122.736  1094.36  212.573  1061.58  150.324  650.921   69.877  657.254   48.939 -6.332764 85.31033 
1 1 1    1   16   18 o  344.010   38.916  286.044   62.566   0.0000   0.0000  286.044   62.566  ?   ?   344.010   38.916      ?      ? 
1 1 1    1   16   19 o  258.331   30.253  159.269   36.525  159.269   36.525   0.0000   0.0000  258.331   30.253  ?   ?       ?      ? 
1 1 1    1   16   20 o  448.426   36.090  500.236   75.128  437.208  106.235  563.291  106.258  418.348   54.336  478.504   47.515 -60.15604 72.18086 
1 1 1    1   16   21 o  223.989   26.977  119.302   28.240   0.0000   0.0000  119.302   28.240  ?   ?   223.989   26.977      ?      ? 
1 1 1    1   16   22 o  253.849   21.099  154.367   24.940  169.983   35.399  138.976   35.144  266.896   28.380  240.802   31.228 26.09370 42.19742 
1 1 1    1   16   24 o  543.456   63.800  767.789  162.042   0.0000   0.0000  767.789  162.042  ?   ?   543.456   63.800      ?      ? 
1 1 1    1   16   25 o  272.670   32.241  179.000   41.086   0.0000   0.0000  179.000   41.086  ?   ?   272.670   32.241      ?      ? 
1 1 1    1   16   26 o  514.583   43.175  708.783  101.432  554.043  143.354  863.925  143.539  450.199   68.134  578.967   53.049 -128.7673 86.35007 
1 1 1    1   16   27 o  163.130   16.213   63.730   12.310   70.977   17.551   56.714   17.270  172.453   21.777  153.807   24.025 18.64665 32.42589 
1 1 1    1   16   28 o  515.704   47.345  757.601  112.061  894.199  158.500  621.080  158.455  572.349   59.255  459.059   73.858 113.2901 94.68958 
1 1 1    1   16   29 o  235.480   21.026  152.505   19.336   98.435   33.310  179.985   23.747  195.731   37.782  275.228   18.461 -79.49719 42.05159 
1 1 1    1   16   30 o  499.353   28.064  629.448   65.474  613.063   92.589  645.837   92.600  492.334   40.240  506.373   39.129 -14.03918 56.12763 
1 1 1    1   16   31 o  249.951   14.545  149.314   16.988  146.620   24.042  152.001   24.008  247.644   20.773  252.258   20.364 -4.613876 29.08992 
1 1 1    1   16   32 o  142.066   15.679   47.838   10.410   47.838   10.410   0.0000   0.0000  142.066   15.679  ?   ?       ?      ? 
1 1 1    1   16   33 o  177.534   12.031   75.795   9.7892   58.605   13.755   93.438   13.935  156.564   18.799  198.504   15.021 -41.94009 24.06258 
1 1 1    1   16   34 o  231.880   21.112  145.528   19.658  107.756   33.982  164.525   24.100  202.171   37.341  261.590   19.713 -59.41982 42.22485 
1 1 1    1   16   35 o  189.236   12.148   85.930   10.659   73.344   14.995   98.783   15.153  174.877   18.348  203.596   15.925 -28.71910 24.29512 
1 1 1    1   16   36 o   49.434   12.911   4.6688   3.9223   4.9915   5.9013   4.4134   5.2495   50.877   18.784   47.991   17.717 2.885242 25.82132 
1 1 1    1   16   37 o   41.990   11.875   1.5429   3.6735   4.4486   5.2470  -1.2504   5.1447   48.023   17.716   35.957   15.817 12.06578 23.74949 
1 1 1    1   16   38 o  202.297   13.178   98.716   12.457  100.799   17.683   96.664   17.553  204.460   18.505  200.135   18.766 4.325516 26.35544 
1 1 1    1   16   39 o   90.786   12.721   20.783   5.2674   29.333   7.4947   12.437   7.4046  110.860   14.466   70.712   20.930 40.14777 25.44275 
1 1 1    1   16   40 o  195.888   12.854   93.071   11.764   90.032   16.542   96.181   16.735  192.573   18.380  199.203   17.975 -6.629440 25.70860 
1 1 1    1   16   41 o  134.005   16.594   45.361   10.170   44.930   14.047   45.835   14.745  134.552   22.338  133.457   24.545 1.094955 33.18781 
1 1 1    1   16   42 f  131.981   17.361   49.528   9.2743   32.133   16.646   57.358   11.168  109.435   31.088  154.527   15.465 -45.09263 34.72194 
1 1 1    1   16   43 o   95.010   16.179   23.258   6.6438   22.753   12.311   23.466   7.8916   93.178   26.822   96.843   18.102 -3.665115 32.35856 
1 1 1    1   16   44 o  136.950   18.164   48.993   11.307   42.282   16.228   55.323   15.762  125.433   28.350  148.467   22.716 -23.03339 36.32798 
1 1 1    1   16   45 o   61.743   23.378   7.6700   9.2607   0.0000   0.0000   7.6700   9.2607  ?   ?    61.743   23.378      ?      ? 
1 1 1    1   16   46 o  110.951   16.588   29.935   8.6012   29.935   8.6012   0.0000   0.0000  110.951   16.588  ?   ?       ?      ? 
1 1 1    1   16   47 o   80.041   16.925   15.736   7.4834   6.1523   10.551   25.436   10.615   61.460   24.473   98.622   23.386 -37.16185 33.85014 
1 1 1    1   16   48 o  211.887   22.238  121.306   21.263  103.780   30.140  138.671   30.002  192.853   34.718  230.921   27.800 -38.06758 44.47647 
1 1 1    1   16   49 o  117.005   18.903   37.418   10.156   31.480   14.581   43.014   14.155  106.614   28.650  127.396   24.666 -20.78201 37.80516 
1 1 1    1   16   50 o   58.871   15.950   6.8481   6.0720   8.1875   7.5586   4.4109   10.196   59.960   21.380   57.782   23.675 2.178082 31.89974 
1 1 1    1   16   51 o   90.856   15.163   21.688   6.3337   22.575   8.7585   20.715   9.1699   93.121   20.665   88.590   22.194 4.530998 30.32537 
1 1 1    1   16   52 o  153.635   17.718   67.411   11.147   49.104   18.771   77.385   13.855  130.354   31.223  176.916   16.757 -46.56224 35.43559 
1 1 1    1   16   53 o   57.409   14.717   1.8115   5.8407   16.695   9.6626  -6.7570   7.3317   78.730   24.049   36.088   16.971 42.64228 29.43353 
1 1 1    1   16   54 o  120.495   13.898   37.529   7.5857   42.590   10.749   32.509   10.706  130.301   17.652  110.689   21.471 19.61166 27.79561 
1 1 1    1   16   55 o   39.083   12.990  -6.6111   5.6660  -7.0705   6.9574  -5.7062   9.7636   34.403   16.285   43.763   20.243 -9.360004 25.98067 
1 1 1    1   16   56 o   63.462   16.082   7.2830   6.2461   1.4425   7.7797   17.876   10.477   46.992   20.055   79.932   25.146 -32.93948 32.16452 
1 1 1    1   16   57 o   48.676   13.366   1.1410   5.2025   10.376   7.2963  -8.4099   7.4202   62.923   21.075   34.429   16.444 28.49430 26.73110 
1 1 1    1   16   58 o   68.347   15.692   13.138   6.4492   3.1384   10.710   18.827   8.0781   54.357   23.373   82.337   20.943 -27.98029 31.38331 
1 1 1    1   16   59 o   83.847   15.692   19.874   6.2430   20.025   8.6575   19.711   9.0109   84.416   21.795   83.278   22.583 1.137787 31.38454 
1 1 1    1   16   60 o   74.434   16.983   16.647   6.5831   17.254   7.9683   15.344   11.684   77.371   21.343   71.497   26.424 5.874138 33.96689 
1 1 1    1   16   61 o   48.803   14.712   3.3989   5.7627   5.1456   6.8543  -0.8126   10.643   49.461   19.715   48.146   21.841 1.314816 29.42322 
1 1 1    1   16   62 o   51.086   19.051   6.4714   6.1003   6.4714   6.1003   0.0000   0.0000   51.086   19.051  ?   ?       ?      ? 
1 1 1    1   16   63 o   62.429   14.718   6.9443   5.1599   0.6223   6.0297   24.239   9.9730   38.933   17.125   85.925   23.942 -46.99250 29.43657 
1 1 1    1   16   64 o   52.640   15.353   7.0907   6.2204   9.2014   8.1284   4.1077   9.6631   55.805   21.702   49.474   21.722 6.331333 30.70582 
1 1 1    1   16   65 o   72.783   14.814   16.304   5.1750   20.336   8.5428   13.967   6.5042   78.441   22.267   67.125   19.546 11.31643 29.62829 
1 1 1    1   16   66 o   66.745   13.529   14.251   4.5189   11.758   6.5949   16.457   6.2044   60.113   20.035   73.376   18.185 -13.26309 27.05737 
1 1 1    1   17    0 f  242.009   21.832  144.417   33.369  144.417   33.369  144.417   33.369  242.009   30.875  242.009   30.875 -0.000000 0.000000 
1 1 1    1   17    1 o  333.664   26.314  269.290   40.261  328.309   57.004  210.544   56.872  371.416   32.840  295.913   41.124 75.50293 52.62730 
1 1 1    1   17    2 o  233.535   15.937  123.454   16.655  146.168   28.869  112.123   20.391  248.776   24.830  218.294   19.987 30.48276 31.87497 
1 1 1    1   17    3 o  381.877   22.325  322.275   38.276  444.234   66.363  261.480   46.855  431.908   32.877  331.847   30.212 100.0603 44.65031 
1 1 1    1   17    4 o  462.021   30.580  509.073   62.546  536.842  108.346  495.194   76.599  469.025   49.428  455.017   36.021 14.00858 61.16082 
1 1 1    1   17    5 o  756.382   42.841  1311.61  145.067  1932.83  251.376  1001.41  177.630  879.150   61.181  633.614   59.986 245.5358 85.68232 
1 1 1    1   17    6 o  276.624   31.897  182.348   41.237   0.0000   0.0000  182.348   41.237  ?   ?   276.624   31.897      ?      ? 
1 1 1    1   17    7 o  525.863   41.144  761.174   87.665  510.640  151.754  886.655  107.398  444.364   73.073  607.361   37.836 -162.9974 82.28789 
1 1 1    1   17    8 o  159.849   13.611   61.830   9.4405   55.473   16.330   65.021   11.570  153.264   22.799  166.434   14.874 -13.16930 27.22167 
1 1 1    1   17    9 o  556.138   44.853  782.709  116.572  773.632  164.842  791.791  164.873  552.650   63.823  559.628   63.039 -6.977905 89.70616 
1 1 1    1   17   10 o  290.285   20.169  199.342   25.836  202.895   44.732  197.564   31.648  291.436   32.842  289.135   23.421 2.300964 40.33780 
1 1 1    1   17   11 o  604.085   49.983  943.525  140.413  1041.54  198.567  845.495  198.580  638.807   66.511  569.362   74.629 69.44568 99.96578 
1 1 1    1   17   12 o  508.281   57.576  646.129  136.768  646.129  136.768   0.0000   0.0000  508.281   57.576  ?   ?       ?      ? 
1 1 1    1   17   13 o  167.831   22.183   66.527   17.399   0.0000   0.0000   66.527   17.399  ?   ?   167.831   22.183      ?      ? 
1 1 1    1   17   14 o  207.209   18.115  101.922   17.519  107.609   24.735   96.198   24.818  213.106   24.835  201.312   26.378 11.79424 36.22995 
1 1 1    1   17   15 o  293.766   24.046  207.444   32.918  189.839   46.574  225.017   46.532  280.951   35.470  306.581   32.476 -25.62976 48.09188 
1 1 1    1   17   16 o  186.523   17.991   85.931   14.501   55.922   20.381  116.698   20.637  150.595   30.012  222.451   19.850 -71.85582 35.98259 
1 1 1    1   17   17 o  249.281   17.646  149.205   19.247  152.891   23.590  141.865   33.288  254.611   19.824  243.951   29.197 10.66003 35.29124 
1 1 1    1   17   18 o  314.580   25.139  240.737   36.329  290.920   51.466  190.897   51.290  348.581   31.591  280.579   39.114 68.00137 50.27853 
1 1 1    1   17   19 o  353.387   40.226  304.445   66.435  304.445   66.435   0.0000   0.0000  353.387   40.226  ?   ?       ?      ? 
1 1 1    1   17   21 o  538.501   44.002  751.499  110.382  688.123  156.026  815.003  156.182  513.322   65.038  563.680   59.287 -50.35773 88.00439 
1 1 1    1   17   23 o  648.552   83.542  1210.17  253.217   0.0000   0.0000  1210.17  253.217  ?   ?   648.552   83.542      ?      ? 
1 1 1    1   17   24 o  140.353   21.790   46.943   14.293   46.943   14.293   0.0000   0.0000  140.353   21.790  ?   ?       ?      ? 
1 1 1    1   17   25 o  204.010   15.392   96.548   14.021  109.075   24.219   90.233   17.196  213.129   24.315  194.891   18.880 18.23759 30.78402 
1 1 1    1   17   26 o  269.499   20.870  182.042   24.300  161.967   42.017  192.130   29.786  255.714   35.158  283.284   22.498 -27.56995 41.74062 
1 1 1    1   17   27 o  653.380   54.930  1283.95  155.626  1303.18  269.547  1274.34  190.604  626.503   92.059  680.256   59.954 -53.75342 109.8609 
1 1 1    1   17   28 o  102.694   11.954   25.589   5.5027   19.725   7.6831   31.765   7.8847   89.425   18.972  115.964   14.549 -26.53931 23.90773 
1 1 1    1   17   29 o  255.084   15.275  156.841   18.017  131.046   25.449  182.763   25.511  233.400   23.331  276.767   19.723 -43.36642 30.55036 
1 1 1    1   17   30 o  291.902   19.053  194.413   24.979  258.584   43.307  162.423   30.577  324.978   28.514  258.826   25.278 66.15237 38.10570 
1 1 1    1   17   31 o  225.661   13.565  121.913   14.296  116.658   20.199  127.188   20.238  220.674   19.585  230.648   18.774 -9.973541 27.13051 
1 1 1    1   17   32 o  240.350   14.742  142.318   15.924  186.654   22.593   98.545   22.449  279.546   17.293  201.153   23.879 78.39342 29.48333 
1 1 1    1   17   33 o   53.615   12.425   6.6009   3.6226   5.3431   5.1740   7.8104   5.0738   50.226   17.712   57.004   17.429 -6.777634 24.84924 
1 1 1    1   17   34 o  107.748   11.224   27.715   5.6412   28.455   7.8075   26.906   8.1598  109.334   15.280  106.162   16.446 3.172142 22.44866 
1 1 1    1   17   35 o   51.462   13.160   3.4788   4.2178  -0.2640   5.2846   10.047   7.0007   38.162   16.414   64.761   20.576 -26.59919 26.32091 
1 1 1    1   17   36 o  131.509   11.058   41.706   6.7090   48.699   9.4226   34.514   9.5547  143.068   14.092  119.949   17.044 23.11936 22.11556 
1 1 1    1   17   37 o   92.291   14.157   22.193   5.9152   16.329   9.4919   25.917   7.5634   80.505   23.661  104.077   15.550 -23.57183 28.31308 
1 1 1    1   17   38 o  137.563   12.541   41.817   7.6966   64.768   13.209   30.020   9.4704  163.805   17.255  111.320   18.203 52.48545 25.08149 
1 1 1    1   17   39 o  131.346   17.045   58.079   9.8826   81.930   12.107   10.458   17.108  185.032   14.001   77.659   31.082 107.3723 34.09005 
1 1 1    1   17   40 o   38.318   11.225  -2.1772   3.8733   4.8031   5.3834  -9.6692   5.5772   48.970   17.963   27.666   13.467 21.30472 22.45037 
1 1 1    1   17   41 o  155.491   14.911   57.852   10.043   63.928   18.296   55.231   12.016  159.813   24.497  151.169   17.008 8.643799 29.82200 
1 1 1    1   17   42 o  138.380   26.521   50.197   16.528   50.197   16.528   0.0000   0.0000  138.380   26.521  ?   ?       ?      ? 
1 1 1    1   17   43 o   95.755   28.347   24.676   13.581   24.676   13.581   0.0000   0.0000   95.755   28.347  ?   ?       ?      ? 
1 1 1    1   17   44 o   89.779   14.758   17.933   6.0375   10.620   7.3518   33.082   10.581   65.595   21.112  113.964   20.626 -48.36824 29.51503 
1 1 1    1   17   45 o  253.394   34.950  177.228   41.389  177.228   41.389   0.0000   0.0000  253.394   34.950  ?   ?       ?      ? 
1 1 1    1   17   46 o   79.742   17.396   16.348   6.8333   16.824   8.1835   15.252   12.419   80.733   21.359   78.751   27.463 1.981514 34.79146 
1 1 1    1   17   47 o  139.870   28.549   52.705   18.031   0.0000   0.0000   52.705   18.031  ?   ?   139.870   28.549      ?      ? 
1 1 1    1   17   48 o  175.386   15.501   75.115   12.192   89.348   20.982   67.859   14.980  185.933   24.146  164.839   19.446 21.09415 31.00230 
1 1 1    1   17   49 f  232.619   20.131  144.783   20.373  140.234   35.223  147.071   24.975  224.287   33.603  240.952   22.178 -16.66469 40.26242 
1 1 1    1   17   50 o   53.310   15.463   3.2609   5.9946   1.6846   7.5732   5.9058   9.8097   47.598   20.026   59.021   23.567 -11.42280 30.92636 
1 1 1    1   17   51 o   91.225   18.680   23.060   8.6371   28.706   12.057   17.109   12.379  102.317   25.345   80.134   27.448 22.18257 37.35985 
1 1 1    1   17   52 o   52.887   14.897   4.1346   5.8891   8.3330   7.2198  -4.2122   10.180   59.209   20.918   46.565   21.215 12.64442 29.79330 
1 1 1    1   17   53 o   53.910   14.614   5.6066   5.2669   8.1791   7.3398   2.8757   7.5623   58.799   21.057   49.020   20.270 9.779011 29.22783 
1 1 1    1   17   54 o   80.349   15.864   17.385   6.1991   14.640   8.3651   20.728   9.2327   73.633   22.350   87.066   22.521 -13.43260 31.72859 
1 1 1    1   17   55 o   73.519   13.872   13.593   5.6678   2.9820   7.9008   24.843   8.1355   49.621   20.634   97.416   18.547 -47.79486 27.74457 
1 1 1    1   17   56 o   79.160   15.360   17.421   6.2455   9.9014   8.9193   24.655   8.7482   62.861   23.112   95.458   20.237 -32.59713 30.72001 
1 1 1    1   17   57 o  146.333   17.001   59.814   10.635   59.347   13.096   60.717   18.222  150.812   18.581  141.853   28.476 8.958786 34.00212 
1 1 1    1   17   58 o   95.230   14.878   25.112   6.4441   25.302   9.2050   24.929   9.0243   95.498   21.180   94.963   20.900 0.5350113 29.75573 
1 1 1    1   17   59 f   81.248   17.471   19.838   7.0638   22.205   11.533   18.418   8.9358   83.726   26.390   78.769   22.902 4.956436 34.94183 
1 1 1    1   17   60 o   54.843   22.734   6.1038   9.5472   6.1038   9.5472   0.0000   0.0000   54.843   22.734  ?   ?       ?      ? 
1 1 1    1   17   61 o  165.319   16.576   74.154   12.154   60.007   14.632  105.632   21.827  144.620   21.649  186.018   25.107 -41.39723 33.15196 
1 1 1    1   17   62 o   57.209   14.363   9.9226   5.4012   13.504   6.3003  -0.0094   10.491   67.470   19.111   46.948   21.446 20.52243 28.72599 
1 1 1    1   17   63 o   43.839   13.731   0.4240   5.0289  -2.1944   5.9302   7.1274   9.4885   34.459   15.882   53.219   22.405 -18.76040 27.46284 
1 1 1    1   17   64 o   36.338   12.286  -7.0517   5.6408 -10.8756   7.2140  -1.0352   9.0488   30.187   14.824   42.490   19.596 -12.30275 24.57109 
1 1 1    1   17   65 o   46.378   14.133   3.6760   5.9809   8.4035   7.6656  -3.6798   9.5620   52.537   20.878   40.219   19.054 12.31773 28.26602 
1 1 1    1   18    0 o  126.313   16.472   41.043   12.374   41.043   12.374   41.043   12.374  126.313   23.295  126.313   23.295 -0.000000 0.000000 
1 1 1    1   18    1 o  123.929   14.501   36.836   8.1852   33.476   11.600   40.169   11.551  117.240   21.978  130.618   18.923 -13.37879 29.00210 
1 1 1    1   18    2 o  555.966   42.026  822.338   98.136  648.080  169.929  909.540  120.208  499.368   72.812  612.563   41.990 -113.1952 84.05199 
1 1 1    1   18    3 o  590.182   48.152  897.850  131.493  1030.89  185.991  764.900  185.928  638.390   62.339  541.974   73.405 96.41620 96.30399 
1 1 1    1   18    4 o  400.003   44.960  390.045   84.048   0.0000   0.0000  390.045   84.048  ?   ?   400.003   44.960      ?      ? 
1 1 1    1   18    5 o  260.133   21.239  161.594   25.704  143.766   36.254  179.614   36.449  245.403   31.611  274.863   28.375 -29.45964 42.47787 
1 1 1    1   18    6 o  175.502   17.506   74.770   13.742   90.299   19.373   59.044   19.496  195.614   21.191  155.390   27.871 40.22427 35.01184 
1 1 1    1   18    7 o  279.273   18.158  177.633   22.690  210.181   39.327  161.392   27.780  297.251   28.309  261.294   22.749 35.95721 36.31661 
1 1 1    1   18    8 o  279.216   20.927  194.224   25.027  209.848   30.661  163.033   43.321  298.030   22.013  260.403   35.597 37.62646 41.85340 
1 1 1    1   18    9 o  540.594   31.905  669.554   77.479  558.597   94.874  891.724  134.249  479.083   42.374  602.105   47.709 -123.0219 63.80927 
1 1 1    1   18   10 o  367.208   27.638  351.354   42.388  396.151   51.944  262.065   73.334  408.224   27.226  326.193   48.105 82.03156 55.27543 
1 1 1    1   18   11 o  675.178   53.498  1279.32  149.835  1423.73  183.531  990.712  259.459  757.121   51.868  593.235   93.584 163.8862 106.9963 
1 1 1    1   18   12 o  127.076   14.306   37.916   8.4961   37.916   8.4961   0.0000   0.0000  127.076   14.306  ?   ?       ?      ? 
1 1 1    1   18   13 f  450.535   34.491  487.853   72.623  487.853   72.623   0.0000   0.0000  450.535   34.491  ?   ?       ?      ? 
1 1 1    1   18   14 o  470.163   36.545  533.856   80.300  533.856   80.300   0.0000   0.0000  470.163   36.545  ?   ?       ?      ? 
1 1 1    1   18   15 o  527.072   61.266  714.456  150.916  714.456  150.916   0.0000   0.0000  527.072   61.266  ?   ?       ?      ? 
1 1 1    1   18   16 o  193.386   24.362   88.837   22.018   88.837   22.018   0.0000   0.0000  193.386   24.362  ?   ?       ?      ? 
1 1 1    1   18   17 o  590.487   70.736  929.407  195.205  929.407  195.205   0.0000   0.0000  590.487   70.736  ?   ?       ?      ? 
1 1 1    1   18   19 o  183.732   24.242   80.244   20.816   0.0000   0.0000   80.244   20.816  ?   ?   183.732   24.242      ?      ? 
1 1 1    1   18   21 o  110.852   13.016   29.893   6.1549   28.752   10.631   30.468   7.5487  107.998   21.814  113.706   14.205 -5.707581 26.03139 
1 1 1    1   18   22 o  389.997   29.597  369.900   53.945   0.0000   0.0000  369.900   53.945  ?   ?   389.997   29.597      ?      ? 
1 1 1    1   18   23 o  185.866   14.421   76.706   12.069  106.254   20.705   61.501   14.853  211.008   20.996  160.724   19.773 50.28400 28.84114 
1 1 1    1   18   24 o  175.734   14.140   71.571   11.127   80.597   19.089   66.925   13.694  183.489   22.260  167.978   17.444 15.51129 28.28098 
1 1 1    1   18   25 o  181.035   16.629   85.420   12.247   95.984   15.040   64.632   21.098  201.376   15.980  160.695   29.167 40.68106 33.25761 
1 1 1    1   18   26 o  418.143   35.500  466.059   67.977  561.878   96.224  370.598   96.043  467.034   44.085  369.252   55.655 97.78201 70.99939 
1 1 1    1   18   27 o  267.778   21.399  185.682   24.295  149.807   41.969  203.764   29.795  244.133   36.784  291.423   21.877 -47.28986 42.79748 
1 1 1    1   18   28 o  216.697   16.752  115.999   15.800  105.956   27.205  121.111   19.409  208.048   27.979  225.346   18.430 -17.29742 33.50364 
1 1 1    1   18   29 o   44.328   12.053   3.1289   3.5336   2.2520   5.0711   3.9566   4.9266   42.513   16.954   46.143   17.138 -3.630871 24.10697 
1 1 1    1   18   30 o   98.239   11.523   23.535   5.1200   26.421   7.1273   20.457   7.3598  105.504   14.455   90.974   17.948 14.53026 23.04503 
1 1 1    1   18   31 o  270.367   16.261  178.311   20.458  196.533   28.927  160.077   28.937  284.795   21.734  255.939   24.192 28.85588 32.52103 
1 1 1    1   18   32 o  197.452   16.583   98.869   14.103   84.236   24.175  106.417   17.363  184.116   28.095  210.788   17.625 -26.67210 33.16631 
1 1 1    1   18   33 o  212.356   16.994  112.798   15.727  103.919   27.024  117.346   19.340  203.937   28.353  220.775   18.744 -16.83820 33.98896 
1 1 1    1   18   34 o  117.238   13.098   32.464   6.9790   35.940   11.499   30.437   8.7812  121.769   20.207  112.708   16.671 9.061188 26.19593 
1 1 1    1   18   35 o   37.380   11.876  -2.3101   3.6032  -2.9825   4.0942  -0.0000   7.5886   28.812   13.249   45.949   19.714 -17.13708 23.75185 
1 1 1    1   18   36 o  307.496   18.154  237.005   26.038  220.908   36.800  253.142   36.846  296.295   26.576  318.698   24.738 -22.40323 36.30764 
1 1 1    1   18   37 o   80.777   14.891   15.635   5.3393   19.705   9.7105   13.870   6.3924   87.439   23.330   74.115   18.510 13.32467 29.78113 
1 1 1    1   18   38 o  241.278   15.212  144.330   17.022  163.856   24.080  124.828   24.065  258.579   19.926  223.977   22.990 34.60239 30.42354 
1 1 1    1   18   39 o  195.682   19.177   97.407   17.437  108.734   24.694   86.145   24.625  208.008   25.402  183.355   28.736 24.65311 38.35448 
1 1 1    1   18   40 o  146.889   23.016   53.868   15.800   0.0000   0.0000   53.868   15.800  ?   ?   146.889   23.016      ?      ? 
1 1 1    1   18   41 o  181.172   18.240   84.200   15.420   89.515   21.873   78.950   21.741  187.357   24.980  174.986   26.584 12.37111 36.47917 
1 1 1    1   18   42 o  236.666   19.016  143.933   19.822  141.272   24.291  149.236   34.292  237.376   21.896  235.956   31.097 1.420242 38.03215 
1 1 1    1   18   43 o   66.851   16.864   9.8467   6.9904   3.8656   10.511   14.590   9.3603   58.020   23.936   75.683   23.762 -17.66270 33.72752 
1 1 1    1   18   44 o  131.841   17.524   46.383   9.7281   48.976   11.826   40.955   17.107  141.450   17.890  122.232   30.138 19.21838 35.04739 
1 1 1    1   18   45 o   92.786   19.243   23.028   8.9264   25.216   11.997   20.315   13.361   97.472   25.896   88.100   28.472 9.371964 38.48660 
1 1 1    1   18   46 f   70.767   26.810   10.917   12.184   0.0000   0.0000   10.917   12.184  ?   ?    70.767   26.810      ?      ? 
1 1 1    1   18   47 o  126.196   16.198   40.889   8.8647   42.273   15.109   40.162   10.947  125.053   26.666  127.339   18.395 -2.285362 32.39502 
1 1 1    1   18   48 o  151.596   16.881   59.024   10.824   57.938   13.116   61.342   19.165  153.013   18.341  150.180   28.345 2.832367 33.76130 
1 1 1    1   18   49 o  110.257   14.491   31.863   7.1739   22.389   10.164   41.267   10.127   91.218   23.646  129.297   16.759 -38.07896 28.98301 
1 1 1    1   18   50 o  105.797   17.655   30.346   8.2240   29.939   10.050   31.171   14.307  106.865   20.872  104.729   28.480 2.136360 35.30905 
1 1 1    1   18   51 o  125.621   16.458   37.100   9.0681   23.893   11.029   64.667   15.933   93.045   24.880  158.197   21.550 -65.15158 32.91561 
1 1 1    1   18   52 o   75.966   18.383   14.957   7.4931   13.672   9.1188   17.629   13.148   71.744   23.543   80.188   28.240 -8.443504 36.76616 
1 1 1    1   18   53 o   57.583   15.278   7.1036   5.6940   4.0087   8.1096   10.113   7.9967   51.840   21.163   63.326   22.041 -11.48618 30.55558 
1 1 1    1   18   54 o   55.789   16.085   5.3176   6.4780   1.7017   11.508   6.9949   7.8378   55.040   23.946   56.539   21.483 -1.499168 32.17027 
1 1 1    1   18   55 o   80.917   22.488   18.443   8.8100   0.0000   0.0000   18.443   8.8100  ?   ?    80.917   22.488      ?      ? 
1 1 1    1   18   56 o   51.628   14.196   4.7513   5.2058   9.0597   7.2076   0.0525   7.5271   59.451   20.912   43.805   19.204 15.64648 28.39178 
1 1 1    1   18   57 o   92.323   16.642   26.728   7.8041   14.419   13.245   33.274   9.6585   71.928   27.778  112.718   18.335 -40.78991 33.28326 
1 1 1    1   18   58 o   52.123   22.770   2.8513   10.499   0.0000   0.0000   2.8513   10.499  ?   ?    52.123   22.770      ?      ? 
1 1 1    1   18   59 o   57.442   23.420   7.4674   9.9169   7.4674   9.9169   0.0000   0.0000   57.442   23.420  ?   ?       ?      ? 
1 1 1    1   18   60 o   35.036   16.429  -4.6302   6.7891  -4.6302   6.7891   0.0000   0.0000   35.036   16.429  ?   ?       ?      ? 
1 1 1    1   18   61 o   49.187   20.071   5.4839   7.2908   5.4839   7.2908   0.0000   0.0000   49.187   20.071  ?   ?       ?      ? 
1 1 1    1   18   62 o   93.943   17.220   27.537   7.4362   20.385   9.1450   41.494   12.776   77.738   23.318  110.149   25.345 -32.41064 34.43933 
1 1 1    1   18   63 o   51.559   15.624   5.2134   7.1681  -2.2657   10.695   11.313   9.6585   44.112   20.665   59.006   23.440 -14.89378 31.24851 
1 1 1    1   18   64 o   39.436   12.882  -1.3592   5.6630   1.5782   7.3164  -5.7489   8.9440   41.502   18.525   37.371   17.904 4.131191 25.76307 
1 1 1    1   19    0 o  219.816   20.547  119.708   28.399  119.708   28.399  119.708   28.399  219.816   29.058  219.816   29.058 -0.000000 0.000000 
1 1 1    1   19    1 o  249.161   16.913  140.730   18.881  126.518   23.129  169.122   32.691  231.444   21.383  266.878   26.210 -35.43402 33.82626 
1 1 1    1   19    2 o  374.978   28.863  335.017   50.581  335.017   50.581   0.0000   0.0000  374.978   28.863  ?   ?       ?      ? 
1 1 1    1   19    3 o  680.987   37.874  1161.65  119.602  1318.05  169.165  1005.32  169.122  730.112   49.577  631.862   57.271 98.25049 75.74844 
1 1 1    1   19    4 o  529.528   28.563  682.449   70.357  609.213   99.479  755.745   99.520  499.927   42.578  559.129   38.085 -59.20230 57.12563 
1 1 1    1   19    5 o  513.487   27.284  653.224   62.802  447.907   88.745  859.186   88.885  427.809   44.387  599.165   31.742 -171.3552 54.56881 
1 1 1    1   19    6 o  201.700   12.491   96.066   11.725  105.980   16.564   86.108   16.600  212.242   16.699  191.158   18.582 21.08478 24.98285 
1 1 1    1   19    7 o   65.257   12.776   9.2566   3.9656   14.704   6.7618   6.4009   4.8959   77.453   18.857   53.061   17.243 24.39169 25.55189 
1 1 1    1   19    8 o  234.544   17.897  134.644   18.164  119.524   31.433  142.224   22.256  223.570   30.084  245.519   19.397 -21.94870 35.79464 
1 1 1    1   19    9 o  302.670   27.593  265.110   31.028  140.074   53.604  328.114   38.051  233.002   50.670  372.337   21.867 -139.3356 55.18678 
1 1 1    1   19   10 o  147.688   15.088   51.812   10.345   44.964   14.609   58.699   14.652  137.740   22.694  157.635   19.888 -19.89401 30.17587 
1 1 1    1   19   11 o  335.982   27.478  275.562   42.984  301.850   60.762  249.230   60.814  352.743   36.858  319.221   40.763 33.52289 54.95594 
1 1 1    1   19   13 o  466.987   53.618  550.019  117.019  550.019  117.019   0.0000   0.0000  466.987   53.618  ?   ?       ?      ? 
1 1 1    1   19   14 o  554.994   65.498  806.429  169.886  806.429  169.886   0.0000   0.0000  554.994   65.498  ?   ?       ?      ? 
1 1 1    1   19   16 o  616.002   78.451  1077.81  225.853   0.0000   0.0000  1077.81  225.853  ?   ?   616.002   78.451      ?      ? 
1 1 1    1   19   17 o  489.500   59.282  640.289  135.619   0.0000   0.0000  640.289  135.619  ?   ?   489.500   59.282      ?      ? 
1 1 1    1   19   18 o  121.686   13.957   34.909   7.9375   0.0000   0.0000   34.909   7.9375  ?   ?   121.686   13.957      ?      ? 
1 1 1    1   19   19 o  374.039   31.295  359.445   53.934  295.585   76.218  423.493   76.330  337.478   48.325  410.600   39.777 -73.12177 62.59005 
1 1 1    1   19   20 o  183.213   13.779   76.915   11.319   90.397   19.498   70.061   13.902  194.520   21.448  171.906   17.304 22.61314 27.55804 
1 1 1    1   19   21 o  281.276   19.698  188.357   24.603  180.641   30.143  203.758   42.584  274.306   23.513  288.245   31.611 -13.93863 39.39687 
1 1 1    1   19   22 o  123.802   10.972   37.560   5.8894   50.852   8.4107   24.773   8.2493  146.962   12.246  100.643   18.209 46.31903 21.94351 
1 1 1    1   19   23 o  253.224   19.489  161.434   21.227  139.889   36.704  172.261   26.019  237.954   33.005  268.494   20.735 -30.53918 38.97775 
1 1 1    1   19   24 f  148.186   11.285   52.572   7.7077   61.794   10.826   43.092   10.976  161.703   14.326  134.670   17.440 27.03296 22.56903 
1 1 1    1   19   25 o  155.234   11.367   57.190   8.2445   58.411   11.616   55.951   11.704  156.938   15.837  153.530   16.312 3.408386 22.73485 
1 1 1    1   19   26 o  352.180   25.368  313.307   39.245  311.890   48.087  316.134   67.911  355.764   28.922  348.596   41.685 7.168060 50.73539 
1 1 1    1   19   27 o  209.498   14.417  100.553   13.480  123.068   23.603   89.655   16.421  225.422   22.404  193.575   18.152 31.84726 28.83445 
1 1 1    1   19   28 o  207.370   20.177  120.115   16.364   77.938   28.164  141.610   20.106  171.502   36.271  243.238   17.686 -71.73610 40.35365 
1 1 1    1   19   29 o  189.452   12.497   85.921   11.064   83.857   15.559   88.033   15.735  187.120   17.792  191.783   17.555 -4.663910 24.99497 
1 1 1    1   19   30 o  300.412   26.340  234.843   36.978  231.501   52.199  238.209   52.390  298.085   37.470  302.738   37.028 -4.653534 52.67917 
1 1 1    1   19   31 o  126.187   14.705   40.767   7.8489   34.456   13.241   44.186   9.7456  116.258   25.105  136.117   15.320 -19.85824 29.41014 
1 1 1    1   19   32 o  369.429   25.676  342.885   42.407  308.748   51.919  411.304   73.503  347.470   31.972  391.387   40.184 -43.91693 51.35144 
1 1 1    1   19   33 o  146.265   11.164   51.246   7.5817   43.961   10.551   59.022   10.902  135.307   16.685  157.223   14.837 -21.91632 22.32764 
1 1 1    1   19   34 o  387.175   23.611  393.661   42.564  428.315   60.175  358.962   60.214  406.354   31.686  367.996   35.012 38.35757 47.22112 
1 1 1    1   19   35 o  167.059   11.851   67.416   9.2487   64.845   12.983   70.065   13.179  163.759   16.964  170.359   16.553 -6.599976 23.70140 
1 1 1    1   19   36 o   74.629   12.675   13.849   4.3998   10.705   5.9677   17.594   6.5125   65.407   18.626   83.850   17.196 -18.44245 25.34997 
1 1 1    1   19   37 o   76.091   17.012   14.370   6.7819   15.907   9.8138   12.965   9.3828   79.307   24.238   72.875   23.879 6.431900 34.02477 
1 1 1    1   19   38 o  286.026   22.335  218.303   27.603  204.543   47.872  225.155   33.785  272.489   37.592  299.564   24.132 -27.07474 44.67086 
1 1 1    1   19   39 f  104.687   17.124   28.623   8.2354   32.993   11.896   24.601   11.412  112.787   23.337   96.587   25.065 16.20044 34.24752 
1 1 1    1   19   40 o  143.875   17.204   53.524   11.181   62.967   15.958   44.419   15.670  158.642   21.524  129.109   26.845 29.53317 34.40849 
1 1 1    1   19   41 o   64.187   14.153   10.557   4.8280   12.945   5.9547   5.9728   8.2483   71.406   17.883   56.967   21.943 14.43819 28.30680 
1 1 1    1   19   42 o  217.174   29.621  124.595   30.064  124.595   30.064   0.0000   0.0000  217.174   29.621  ?   ?       ?      ? 
1 1 1    1   19   43 o  173.623   14.085   68.947   10.943   55.914   13.330   95.884   19.165  150.811   18.913  196.434   20.876 -45.62216 28.16942 
1 1 1    1   19   44 o   56.244   15.654   5.3005   6.0435   4.8067   8.5503   5.7934   8.5431   55.390   22.038   57.099   22.237 -1.709152 31.30752 
1 1 1    1   19   45 o   81.204   16.527   16.930   7.7582   2.6432   11.561   28.635   10.464   57.884   24.569  104.524   22.112 -46.64023 33.05383 
1 1 1    1   19   46 o   66.117   17.123   8.5805   7.4615   15.845   10.371   0.7860   10.743   78.143   25.067   54.091   23.334 24.05233 34.24649 
1 1 1    1   19   47 o  100.981   16.620   30.063   7.9643   15.087   13.635   37.818   9.8119   78.075   28.596  123.886   16.947 -45.81168 33.24047 
1 1 1    1   19   48 o   91.833   17.670   24.351   7.7802   27.699   9.3602   16.868   13.994  103.192   20.132   80.474   29.046 22.71732 35.34063 
1 1 1    1   19   49 o   73.061   15.994   13.827   6.1073   10.439   8.3502   17.725   8.9557   64.925   22.527   81.196   22.711 -16.27052 31.98822 
1 1 1    1   19   50 o   51.966   16.301  -1.7004   7.9809  -5.6968   11.118   2.5479   11.463   47.269   21.772   56.662   24.267 -9.392529 32.60228 
1 1 1    1   19   51 o   77.057   15.913   16.088   6.1459   18.734   8.7038   13.456   8.6793   83.055   22.053   71.059   22.946 11.99608 31.82549 
1 1 1    1   19   52 o  173.913   13.987   78.097   11.354   74.038   16.065   82.148   16.050  168.915   20.350  178.911   19.195 -9.995377 27.97414 
1 1 1    1   19   53 o   79.149   18.333   15.701   7.7135   10.110   9.5371   26.275   13.116   64.179   23.843   94.119   27.856 -29.94033 36.66685 
1 1 1    1   19   54 o   73.478   18.075   14.584   7.1826   12.898   8.6484   18.333   12.895   68.371   22.944   78.585   27.936 -10.21421 36.15020 
1 1 1    1   19   55 o   45.948   14.205  -5.5206   5.9710   8.4531   10.102 -13.0247   7.4026   61.131   24.070   30.766   15.090 30.36467 28.40920 
1 1 1    1   19   56 o   69.157   17.208   9.1719   8.5281  -7.2119   11.944   26.208   12.180   46.149   21.689   92.164   26.722 -46.01527 34.41585 
1 1 1    1   19   57 o   72.642   15.875   16.665   7.6765  -4.5847   13.799   26.188   9.2379   50.260   23.522   95.024   21.325 -44.76388 31.74969 
1 1 1    1   19   58 o   66.613   17.930   10.855   8.6382   21.521   12.047  -0.4301   12.392   81.469   27.076   51.757   23.513 29.71220 35.86025 
1 1 1    1   19   59 o   87.642   17.480   26.161   7.6402   29.055   9.3952   20.510   13.128   99.314   20.903   75.969   28.023 23.34510 34.96045 
1 1 1    1   19   60 o   57.983   22.029   10.012   8.2405   10.012   8.2405   0.0000   0.0000   57.983   22.029  ?   ?       ?      ? 
1 1 1    1   19   61 o   60.736   17.289   11.072   8.1897   1.8503   11.850   19.505   11.332   49.446   22.664   72.026   26.116 -22.58015 34.57862 
1 1 1    1   19   63 o   41.338   13.935  -3.9688   7.4586  -2.8064   10.106  -5.3596   11.054   41.538   19.652   41.137   19.760 0.4004974 27.86920 
1 1 1    1   20    0 o   45.844   16.294   7.2679   6.0754   7.2679   6.0754   7.2679   6.0754   45.844   23.043   45.844   23.043 -0.000000 0.000000 
1 1 1    1   20    1 o  279.059   32.435  187.322   42.302   0.0000   0.0000  187.322   42.302  ?   ?   279.059   32.435      ?      ? 
1 1 1    1   20    2 o  209.176   15.221  100.856   14.179  112.428   24.587   95.090   17.355  217.581   24.179  200.771   18.496 16.81027 30.44262 
1 1 1    1   20    3 o  160.363   12.910   58.941   9.2058   66.140   16.039   55.405   11.242  167.265   20.518  153.460   15.675 13.80508 25.82040 
1 1 1    1   20    4 o  110.083   9.1603   28.996   4.5743   25.898   7.1779   31.115   5.9357  104.966   14.632  115.199   11.025 -10.23273 18.32064 
1 1 1    1   20    5 o  130.375   9.2342   39.830   5.5179   40.295   8.7227   39.520   7.1245  130.950   14.253  129.800   11.745 1.149780 18.46837 
1 1 1    1   20    6 o  222.978   12.018  116.457   12.297  120.529   19.465  113.754   15.863  226.047   18.425  219.909   15.435 6.138290 24.03583 
1 1 1    1   20    7 o  329.362   15.556  250.600   23.615  297.636   37.365  219.315   30.473  354.341   22.563  304.382   21.422 49.95987 31.11227 
1 1 1    1   20    8 o  468.222   23.280  458.973   46.144  708.139   92.440  376.284   53.253  539.945   36.633  396.498   28.738 143.4468 46.55999 
1 1 1    1   20    9 o  185.353   13.586   80.820   10.201   81.987   20.406   80.431   11.779  185.715   23.510  184.991   13.624 0.7246399 27.17275 
1 1 1    1   20   10 o  126.084   13.080   38.900   6.9629   35.905   12.079   40.391   8.5212  121.130   22.153  131.038   13.914 -9.907066 26.16050 
1 1 1    1   20   11 o   71.338   13.572   12.325   4.7080   9.0463   6.5305   15.872   6.7935   62.350   19.880   80.325   18.481 -17.97571 27.14308 
1 1 1    1   20   13 o   99.529   14.057   24.010   6.4132   28.547   9.2362   19.785   8.9117  109.725   18.011   89.333   21.586 20.39191 28.11354 
1 1 1    1   20   14 o  335.522   23.939  280.987   34.995  265.534   60.577  288.727   42.872  325.195   39.859  345.848   26.524 -20.65359 47.87756 
1 1 1    1   20   15 o  611.331   47.421  1051.71  126.715  1082.93  219.476  1036.11  155.194  597.850   78.551  624.813   53.147 -26.96362 94.84167 
1 1 1    1   20   16 o  408.051   36.829  481.137   58.719  335.478  101.671  554.036   71.927  341.214   66.145  474.887   32.408 -133.6731 73.65781 
1 1 1    1   20   17 o   97.369   10.250   22.790   4.4728   28.199   6.4501   17.780   6.2078  109.422   12.613   85.317   16.161 24.10466 20.50019 
1 1 1    1   20   18 o   99.698   10.469   24.199   4.6377   30.015   6.5421   18.323   6.5756  112.897   12.399   86.498   16.872 26.39925 20.93807 
1 1 1    1   20   19 o  281.624   16.174  190.706   21.223  174.012   30.015  207.396   30.012  268.942   23.880  294.307   21.820 -25.36469 32.34773 
1 1 1    1   20   20 o  128.162   14.498   43.612   7.4953   30.898   13.047   49.874   9.1572  110.938   25.673  145.387   13.477 -34.44877 28.99579 
1 1 1    1   20   21 o  192.692   18.303   98.419   14.160  111.000   17.296   72.853   24.656  216.163   17.121  169.222   32.356 46.94072 36.60644 
1 1 1    1   20   22 o  242.857   16.325  134.793   17.741  118.177   21.651  168.739   30.947  221.978   20.871  263.737   25.108 -41.75896 32.64943 
1 1 1    1   20   23 o  152.492   10.673   55.201   7.5959   58.509   10.744   51.896   10.741  157.131   14.630  147.852   15.545 9.278946 21.34633 
1 1 1    1   20   24 o  204.420   15.599  101.592   14.017   99.508   24.160  102.650   17.210  201.608   25.642  207.232   17.770 -5.623734 31.19718 
1 1 1    1   20   25 o  116.568   11.584   30.182   6.0859   42.337   10.379   23.813   7.5129  133.179   16.676   99.956   16.083 33.22343 23.16754 
1 1 1    1   20   26 o  146.882   11.617   51.863   7.9035   44.793   11.311   58.607   11.048  136.784   17.695  156.980   15.059 -20.19548 23.23489 
1 1 1    1   20   27 o  346.293   27.444  323.337   40.599  342.752   49.710  284.442   70.360  370.905   28.677  321.681   46.801 49.22470 54.88849 
1 1 1    1   20   28 o  110.856   13.944   31.020   6.6702   27.307   11.086   33.127   8.3509  103.798   23.411  117.914   15.154 -14.11652 27.88734 
1 1 1    1   20   29 o   49.698   12.967   4.6639   3.9697   3.6818   5.3285   5.8889   5.9509   46.362   17.690   53.035   18.964 -6.673405 25.93401 
1 1 1    1   20   30 o  276.042   24.673  211.827   27.446  235.597   33.626  164.387   47.504  309.699   23.232  242.385   43.536 67.31448 49.34679 
1 1 1    1   20   31 f  361.708   21.327  334.368   36.042  325.684   50.936  343.077   51.005  356.586   30.565  366.830   29.751 -10.24377 42.65377 
1 1 1    1   20   32 o  227.507   14.810  128.122   15.485  153.551   21.891  102.656   21.908  251.444   18.629  203.569   23.027 47.87505 29.61906 
1 1 1    1   20   33 f  118.144   12.768   31.770   6.7432   27.012   8.2049   41.672   11.837  105.737   16.604  130.551   19.400 -24.81419 25.53510 
1 1 1    1   20   34 o   67.437   12.548   11.316   4.3685   17.544   6.1089   4.7980   6.2495   84.029   16.142   50.846   19.216 33.18319 25.09657 
1 1 1    1   20   35 o  128.129   13.260   37.759   7.6519   48.481   13.146   32.264   9.4103  140.789   19.979  115.469   17.438 25.32050 26.51901 
1 1 1    1   20   36 o  166.437   17.022   67.125   13.240   0.0000   0.0000   67.125   13.240  ?   ?   166.437   17.022      ?      ? 
1 1 1    1   20   37 o  271.778   25.960  206.138   32.727  231.011   46.342  181.392   46.223  291.245   34.046  252.311   39.200 38.93382 51.92089 
1 1 1    1   20   38 o   37.520   17.755  -8.7882   8.2556   0.0000   0.0000  -8.7882   8.2556  ?   ?    37.520   17.755      ?      ? 
1 1 1    1   20   39 o   81.948   15.111   17.678   5.7999   19.233   7.3731   15.156   9.3935   86.996   18.692   76.900   23.748 10.09562 30.22185 
1 1 1    1   20   40 o  258.115   21.742  183.125   23.935  195.628   29.396  158.533   41.227  278.996   22.545  237.234   37.184 41.76196 43.48485 
1 1 1    1   20   41 o   77.084   15.380   15.677   5.6445   17.063   6.8154   12.650   10.072   81.995   18.254   72.172   24.757 9.823746 30.75942 
1 1 1    1   20   42 o  109.499   14.536   29.265   6.8724   27.313   8.3437   33.385   12.119  105.880   16.862  113.118   23.683 -7.237900 29.07264 
1 1 1    1   20   43 o   65.009   16.357   9.5111   6.4739   13.711   9.0511   5.1116   9.2637   73.057   23.415   56.962   22.846 16.09518 32.71440 
1 1 1    1   20   44 o   64.898   16.685   9.4946   6.5533   8.3114   9.0711   10.786   9.4778   62.300   23.232   67.496   23.954 -5.196320 33.36942 
1 1 1    1   20   45 o  174.778   26.821   80.603   21.908   0.0000   0.0000   80.603   21.908  ?   ?   174.778   26.821      ?      ? 
1 1 1    1   20   46 o  133.074   12.195   43.997   7.5443   39.089   10.669   48.905   10.669  125.183   18.237  140.966   16.195 -15.78356 24.38965 
1 1 1    1   20   47 o   69.779   18.195   11.331   7.6919   14.064   12.254   9.5540   9.8809   74.718   27.148   64.841   24.233 9.876755 36.39046 
1 1 1    1   20   48 o   74.735   15.333   15.836   6.1777   20.914   7.5945   5.9023   10.621   89.698   18.722   59.773   24.289 29.92476 30.66690 
1 1 1    1   20   49 o   58.754   22.899   6.9764   9.0649   6.9764   9.0649   0.0000   0.0000   58.754   22.899  ?   ?       ?      ? 
1 1 1    1   20   50 o  103.291   17.184   29.093   7.9609   32.099   13.026   27.301   10.058  106.167   26.372  100.415   22.037 5.752014 34.36726 
1 1 1    1   20   51 o   49.273   13.039  -0.9915   5.3283   12.321   7.5285 -14.3529   7.5423   67.978   21.305   30.567   15.040 37.41061 26.07843 
1 1 1    1   20   52 o  174.767   17.680   82.790   13.500   92.812   24.008   78.156   16.326  177.396   28.958  172.139   20.293 5.257004 35.36058 
1 1 1    1   20   53 o   61.535   15.544   9.5222   5.7745   12.824   8.2515   6.3534   8.0840   68.164   22.396   54.906   21.560 13.25887 31.08757 
1 1 1    1   20   54 f   51.485   14.675   4.7447   5.4480   5.8905   7.7731   3.6383   7.6379   53.569   21.108   49.402   20.395 4.166416 29.35084 
1 1 1    1   20   55 o   80.379   16.615   19.244   6.6777   21.283   9.3098   17.082   9.5837   85.117   22.901   75.641   24.079 9.475586 33.23040 
1 1 1    1   20   56 o   63.109   18.159   10.543   8.4234   11.507   11.740   9.5207   12.093   64.363   25.753   61.855   25.609 2.508080 36.31840 
1 1 1    1   20   57 o   49.164   22.524  -1.8710   11.686  -1.8710   11.686   0.0000   0.0000   49.164   22.524  ?   ?       ?      ? 
1 1 1    1   20   58 o   50.099   15.163   3.4415   6.0921   0.4533   7.5722   8.9248   10.257   42.426   18.898   57.773   23.717 -15.34709 30.32593 
1 1 1    1   20   59 o   81.574   28.607   26.206   13.484   26.206   13.484   0.0000   0.0000   81.574   28.607  ?   ?       ?      ? 
1 1 1    1   20   60 o   38.750   18.794  -9.6113   10.604   0.0000   0.0000  -9.6113   10.604  ?   ?    38.750   18.794      ?      ? 
1 1 1    1   20   62 o   64.807   16.567   16.413   6.6759   12.635   12.306   17.988   7.9468   57.854   24.966   71.760   21.785 -13.90570 33.13380 
1 1 1    1   21    0 o  172.803   11.641   72.061   13.018   72.061   13.018   72.061   13.018  172.803   16.463  172.803   16.463 -0.000000 0.000000 
1 1 1    1   21    1 o  215.111   17.456  116.796   15.985   95.708   27.710  127.313   19.569  198.481   29.873  231.740   18.068 -33.25906 34.91180 
1 1 1    1   21    2 o  314.644   23.382  249.602   31.744  222.536   54.987  263.132   38.877  298.375   39.433  330.914   25.139 -32.53867 46.76418 
1 1 1    1   21    3 o  203.106   19.980  104.443   17.368   65.402   24.481  144.005   24.644  160.521   33.706  245.691   21.463 -85.16983 39.95955 
1 1 1    1   21    4 o  151.885   14.666   60.722   8.2533   46.711   16.453   65.433   9.5404  137.006   26.656  166.763   12.241 -29.75780 29.33218 
1 1 1    1   21    5 o  598.397   28.690  897.634   78.639  916.616  124.349  884.983  101.517  599.468   44.385  597.325   36.365 2.143494 57.37957 
1 1 1    1   21    6 o  121.857   8.9821   34.907   5.0193   35.244   7.9165   34.681   6.4906  122.262   13.855  121.453   11.435 0.8090057 17.96427 
1 1 1    1   21    7 o  169.656   11.133   72.163   8.2714   85.130   10.689   52.809   13.059  190.218   12.024  149.094   18.741 41.12476 22.26686 
1 1 1    1   21    8 o  350.434   19.537  297.550   31.984  288.339   45.227  306.766   45.239  344.809   28.065  356.058   27.186 -11.24844 39.07371 
1 1 1    1   21    9 o  371.503   29.728  336.337   51.615  336.337   51.615   0.0000   0.0000  371.503   29.728  ?   ?       ?      ? 
1 1 1    1   21   10 o  344.724   27.848  325.278   39.329  229.335   68.026  373.450   48.202  296.251   49.133  393.198   26.231 -96.94754 55.69640 
1 1 1    1   21   11 o  246.990   17.440  143.014   19.183  159.490   33.228  134.777   23.494  256.431   27.726  237.548   21.162 18.88274 34.87952 
1 1 1    1   21   12 o  232.364   21.209  146.380   19.501  100.833   33.749  169.210   23.894  198.065   37.839  266.663   19.172 -68.59749 42.41881 
1 1 1    1   21   13 o  158.182   16.160   66.990   10.219   45.749   17.542   77.900   12.572  134.786   28.725  181.578   14.815 -46.79172 32.32070 
1 1 1    1   21   14 o  268.700   20.155  179.965   23.445  188.108   28.694  163.611   40.663  280.277   21.906  257.122   33.839 23.15518 40.31098 
1 1 1    1   21   15 o  122.210   13.286   36.422   6.8279   37.032   8.2798   35.125   12.071  125.224   14.148  119.195   22.493 6.029152 26.57280 
1 1 1    1   21   16 o  178.548   14.319   77.123   11.122   78.921   13.562   73.430   19.434  182.518   15.899  174.579   23.820 7.938873 28.63848 
1 1 1    1   21   17 o  172.005   16.735   71.527   13.384   79.950   18.987   63.211   18.868  182.399   22.274  161.611   24.981 20.78842 33.46918 
1 1 1    1   21   18 f  196.283   12.429   91.771   11.387   97.138   16.129   86.438   16.079  202.109   17.076  190.456   18.065 11.65283 24.85793 
1 1 1    1   21   19 o  206.675   12.832  101.974   12.388   98.325   17.505  105.635   17.534  202.895   18.461  210.456   17.827 -7.560745 25.66357 
1 1 1    1   21   20 o  393.940   22.221  388.416   40.777  354.372   57.642  422.519   57.693  375.445   32.851  412.436   29.931 -36.99084 44.44181 
1 1 1    1   21   21 o  183.180   11.835   80.172   10.110   74.134   14.294   86.214   14.300  176.126   17.366  190.235   16.084 -14.10919 23.67006 
1 1 1    1   21   22 o  215.102   21.763  139.373   17.361   69.103   29.869  175.228   21.336  159.349   40.130  270.854   16.855 -111.5048 43.52637 
1 1 1    1   21   23 o  131.140   10.335   41.317   6.1092   55.532   8.8514   28.385   8.4426  153.239   12.360  109.042   16.567 44.19684 20.66926 
1 1 1    1   21   24 o  458.487   36.949  597.909   73.592  598.687   90.134  596.352  127.459  475.462   40.563  441.512   61.771 33.94980 73.89893 
1 1 1    1   21   25 o  174.978   11.528   73.439   9.3771   81.643   13.224   65.143   13.298  185.077   15.289  164.879   17.258 20.19824 23.05622 
1 1 1    1   21   26 o  328.709   28.818  291.617   43.520  237.157   61.419  346.533   61.675  293.209   44.821  364.210   36.234 -71.00055 57.63529 
1 1 1    1   21   27 o  239.463   13.826  138.968   15.439  149.413   21.846  128.548   21.820  248.780   18.790  230.145   20.287 18.63429 27.65173 
1 1 1    1   21   28 o   86.989   12.267   18.781   4.8546   20.604   6.5539   16.564   7.2263   92.845   15.104   81.133   19.333 11.71232 24.53338 
1 1 1    1   21   29 o  211.362   13.747  109.121   13.495  122.102   19.039   96.013   19.132  224.589   18.139  198.136   20.661 26.45316 27.49315 
1 1 1    1   21   30 o  139.789   11.187   46.998   7.3065   45.668   10.206   48.395   10.465  137.754   15.852  141.824   15.789 -4.070190 22.37363 
1 1 1    1   21   31 o  177.521   12.824   77.802   10.377   96.294   14.629   59.069   14.723  199.978   15.652  155.065   20.317 44.91312 25.64704 
1 1 1    1   21   32 o  103.911   11.938   26.498   5.5043   18.658   7.5216   35.536   8.0764   85.939   19.210  121.884   14.178 -35.94545 23.87587 
1 1 1    1   21   33 o  265.646   18.531  168.424   22.118  216.540   38.243  144.241   27.112  291.035   28.117  240.257   24.146 50.77827 37.06192 
1 1 1    1   21   34 o  238.764   20.812  140.841   23.223   0.0000   0.0000  140.841   23.223  ?   ?   238.764   20.812      ?      ? 
1 1 1    1   21   35 o  302.290   42.230  269.353   59.660   0.0000   0.0000  269.353   59.660  ?   ?   302.290   42.230      ?      ? 
1 1 1    1   21   36 o  218.090   21.170  126.472   21.512  136.452   30.418  116.486   30.427  227.889   28.561  208.292   31.257 19.59721 42.34041 
1 1 1    1   21   37 o  146.663   18.350   56.569   12.085   69.285   17.084   43.831   17.098  166.347   21.975  126.980   29.393 39.36682 36.69923 
1 1 1    1   21   38 o  139.480   13.846   45.727   8.7150   39.652   10.757   57.330   14.867  127.206   18.094  151.755   20.963 -24.54877 27.69174 
1 1 1    1   21   39 f  115.800   25.321   35.350   13.322   35.350   13.322   0.0000   0.0000  115.800   25.321  ?   ?       ?      ? 
1 1 1    1   21   40 o  153.610   18.810   62.644   12.826   81.756   18.250   43.992   18.029  180.866   21.590  126.353   30.809 54.51257 37.62037 
1 1 1    1   21   41 o   38.677   12.762  -7.2983   5.7578 -11.0806   8.1833  -3.5901   8.1029   35.268   16.957   42.087   19.078 -6.819431 25.52491 
1 1 1    1   21   42 o   53.804   13.670   5.8060   4.9224  -2.9954   8.4716   10.292   6.0481   43.861   19.729   63.747   18.927 -19.88591 27.33972 
1 1 1    1   21   43 o   97.389   15.251   28.221   6.9544   11.781   11.875   36.803   8.5795   71.665   26.609  123.114   14.911 -51.44849 30.50223 
1 1 1    1   21   44 o   56.710   13.560   6.8614   4.5799   12.062   6.6732   2.2303   6.2970   68.296   19.773   45.125   18.561 23.17111 27.11928 
1 1 1    1   21   45 o   50.933   14.300   2.9192   4.9840   8.4179   8.4709   0.0078   6.1637   61.051   22.512   40.815   17.640 20.23632 28.60033 
1 1 1    1   21   46 o  153.236   12.538   59.066   8.9081   65.764   12.446   52.030   12.756  162.956   16.342  143.515   19.018 19.44037 25.07514 
1 1 1    1   21   47 f   84.921   16.288   20.158   6.5547   21.957   8.0993   16.744   11.159   91.418   19.549   78.424   26.058 12.99344 32.57564 
1 1 1    1   21   48 o   67.320   14.544   11.653   5.2157   16.358   7.4720   7.1815   7.2838   78.230   20.272   56.409   20.860 21.82079 29.08788 
1 1 1    1   21   49 o   90.019   18.498   23.272   8.3256   19.891   12.005   26.405   11.557   83.496   26.988   96.542   25.306 -13.04667 36.99643 
1 1 1    1   21   50 o   86.466   16.590   22.270   6.9178   15.246   12.427   25.424   8.3272   74.779   27.313   98.153   18.838 -23.37432 33.17975 
1 1 1    1   21   51 o  130.340   27.929   51.041   16.501   51.041   16.501   0.0000   0.0000  130.340   27.929  ?   ?       ?      ? 
1 1 1    1   21   52 o   62.459   17.566   7.7629   7.5725   13.594   12.220   4.1272   9.6484   70.948   26.856   53.971   22.650 16.97710 35.13240 
1 1 1    1   21   53 o   86.459   17.397   22.076   7.8645   13.019   11.063   31.327   11.182   68.672   25.647  104.246   23.512 -35.57499 34.79304 
1 1 1    1   21   54 o   47.778   14.430   2.5964   5.7080   4.5583   8.4014   0.9143   7.7791   51.006   21.250   44.549   19.527 6.457207 28.85927 
1 1 1    1   21   55 o  100.091   16.893   33.364   8.1202   20.088   14.187   39.832   9.9026   77.595   29.030  122.588   17.285 -44.99306 33.78620 
1 1 1    1   21   56 o   54.704   23.274   5.6469   10.418   5.6469   10.418   0.0000   0.0000   54.704   23.274  ?   ?       ?      ? 
1 1 1    1   21   57 f   75.471   17.592   18.728   6.9551   16.624   8.6213   22.649   11.770   71.732   22.838   79.209   26.766 -7.476128 35.18499 
1 1 1    1   21   58 o   57.658   21.798   10.157   8.0437   10.157   8.0437   0.0000   0.0000   57.658   21.798  ?   ?       ?      ? 
1 1 1    1   21   59 o   76.407   17.833   21.820   7.4440   22.727   8.9850   19.836   13.293   82.796   22.592   70.017   27.598 12.77865 35.66568 
1 1 1    1   21   60 o   48.412   14.419  -1.0049   6.3753   15.613   9.8718 -12.8942   8.3500   65.217   24.252   31.606   15.603 33.61143 28.83759 
1 1 1    1   21   61 o   51.833   15.301   6.7598   5.8149   14.604   10.375   3.1669   7.0214   60.946   24.268   42.720   18.643 18.22638 30.60164 
1 1 1    1   22    0 f   76.003   11.920   15.403   5.2344   15.403   5.2344   15.403   5.2344   76.003   16.858   76.003   16.858 -0.000000 0.000000 
1 1 1    1   22    1 o  320.610   21.725  244.631   31.014  275.229   53.779  229.383   37.964  333.287   34.526  307.933   26.380 25.35361 43.45044 
1 1 1    1   22    2 o  140.517   10.325   46.638   6.7807   46.865   9.6072   46.412   9.5715  140.859   14.594  140.175   14.610 0.6835785 20.65063 
1 1 1    1   22    3 o  339.891   23.137  276.913   35.015  260.042   42.878  310.682   60.664  327.107   28.048  352.674   36.806 -25.56628 46.27489 
1 1 1    1   22    4 f   99.320   12.984   25.264   5.4245   20.178   9.4041   27.800   6.6406   90.041   22.431  108.599   13.084 -18.55728 25.96783 
1 1 1    1   22    5 o  315.679   22.735  246.074   31.460  242.479   54.493  247.872   38.530  311.080   37.482  320.277   25.741 -9.197174 45.47005 
1 1 1    1   22    6 o  227.704   16.469  121.912   16.666  133.243   28.881  116.256   20.406  234.593   26.343  220.815   19.774 13.77779 32.93822 
1 1 1    1   22    7 f  188.181   16.951   84.001   14.908   0.0000   0.0000   84.001   14.908  ?   ?   188.181   16.951      ?      ? 
1 1 1    1   22    8 o   57.643   12.521   7.5398   3.5636   9.3943   6.0717   6.5652   4.4015   62.615   19.049   52.671   16.255 9.944485 25.04164 
1 1 1    1   22    9 o   49.069   7.4966   3.1005   2.7335   13.732   3.7398  -9.0939   4.0053   76.432   10.470   21.706   10.732 54.72596 14.99328 
1 1 1    1   22   10 o  110.090   11.630   29.219   5.0670   29.083   9.9460   29.266   5.8885  108.663   20.332  111.517   11.299 -2.853409 23.26075 
1 1 1    1   22   11 o  426.236   21.051  435.771   41.361  511.123   65.428  385.614   53.380  455.539   30.732  396.933   28.776 58.60660 42.10123 
1 1 1    1   22   12 o  402.997   31.987  460.064   48.310  353.298   96.560  495.712   55.796  354.703   58.249  451.291   26.455 -96.58853 63.97499 
1 1 1    1   22   13 f  160.100   15.383   60.775   11.510   60.775   11.510   0.0000   0.0000  160.100   15.383  ?   ?       ?      ? 
1 1 1    1   22   14 o  126.011   9.8983   37.685   5.7740   31.365   8.0614   44.344   8.2743  115.013   14.997  137.010   12.922 -21.99658 19.79664 
1 1 1    1   22   15 f  314.140   17.727  240.697   26.016  233.482   36.771  247.928   36.813  309.228   25.444  319.052   24.689 -9.823883 35.45305 
1 1 1    1   22   16 o  298.337   17.053  216.891   23.775  214.169   33.624  219.613   33.621  296.384   24.275  300.290   23.957 -3.905914 34.10550 
1 1 1    1   22   17 o  451.168   26.149  528.110   54.494  612.460   77.097  443.895   77.035  491.121   33.590  411.214   40.085 79.90720 52.29762 
1 1 1    1   22   18 o  177.353   14.317   75.602   11.171   75.104   13.663   76.607   19.403  177.404   16.479  177.303   23.416 0.1011810 28.63369 
1 1 1    1   22   19 o  268.648   20.517  182.894   23.929  170.308   41.435  189.192   29.311  258.250   34.331  279.046   22.475 -20.79608 41.03328 
1 1 1    1   22   20 o  232.612   13.847  130.356   15.048  134.364   21.317  126.375   21.247  236.275   19.305  228.950   19.857 7.324951 27.69402 
1 1 1    1   22   21 o  390.310   21.627  388.768   38.378  486.254   54.365  291.922   54.186  443.529   26.227  337.090   34.395 106.4397 43.25395 
1 1 1    1   22   22 o  148.328   10.523   52.396   7.2811   56.791   10.422   48.206   10.176  154.486   14.435  142.170   15.316 12.31586 21.04648 
1 1 1    1   22   23 o  121.678   10.391   35.326   5.8938   32.414   8.3206   38.259   8.3498  116.544   15.276  126.812   14.089 -10.26863 20.78125 
1 1 1    1   22   24 o   53.809   12.378   6.7743   3.5704   7.1445   4.9249   6.3643   5.1837   54.748   17.243   52.871   17.763 1.876598 24.75609 
1 1 1    1   22   25 o  208.020   20.376  119.898   16.831   86.500   29.246  136.438   20.581  178.520   36.291  237.520   18.541 -58.99915 40.75238 
1 1 1    1   22   26 o   97.152   13.352   22.131   5.4146   20.513   6.3648   26.367   10.301   92.601   14.707  101.702   22.288 -9.101593 26.70310 
1 1 1    1   22   27 f   83.562   23.507   17.909   9.5656   17.909   9.5656   0.0000   0.0000   83.562   23.507  ?   ?       ?      ? 
1 1 1    1   22   28 o  142.365   13.679   49.807   8.5614   48.768   14.732   50.336   10.520  140.123   22.496  144.607   15.567 -4.483429 27.35705 
1 1 1    1   22   29 o  104.990   10.901   26.465   5.3321   29.349   7.6707   23.768   7.4171  110.627   14.836   99.352   15.974 11.27480 21.80107 
1 1 1    1   22   30 o  137.256   13.198   42.672   8.1456   58.698   14.054   34.565   9.9957  155.114   19.387  119.398   17.913 35.71586 26.39588 
1 1 1    1   22   31 o  149.531   13.669   51.854   9.1935   65.616   15.839   44.863   11.290  163.187   20.768  135.876   17.779 27.31114 27.33884 
1 1 1    1   22   32 o  287.371   20.684  205.330   26.619  255.379   46.218  180.486   32.563  309.279   31.975  265.462   26.247 43.81766 41.36791 
1 1 1    1   22   33 o   31.791   10.888 -12.0674   5.0477  -7.1711   7.1359 -16.9709   7.1410   35.425   16.685   28.156   13.993 7.268450 21.77543 
1 1 1    1   22   34 o  204.837   20.259  110.489   19.265  123.233   27.193   97.649   27.296  218.247   26.661  191.427   30.511 26.81985 40.51824 
1 1 1    1   22   35 o   50.269   21.242   1.4679   8.5805   1.4679   8.5805   0.0000   0.0000   50.269   21.242  ?   ?       ?      ? 
1 1 1    1   22   36 o  114.285   15.654   36.573   7.5744   43.131   9.3582   24.116   12.898  133.646   14.983   94.925   27.490 38.72048 31.30824 
1 1 1    1   22   37 o  142.682   17.908   70.745   11.251  100.980   13.826   11.454   19.361  204.795   14.445   80.569   32.773 124.2261 35.81503 
1 1 1    1   22   38 o  159.971   14.389   61.548   10.264   57.101   12.568   70.457   17.787  152.763   17.603  167.180   22.766 -14.41762 28.77764 
1 1 1    1   22   39 o  164.042   18.278   70.440   14.002   73.470   19.843   67.435   19.762  167.937   25.283  160.147   26.404 7.790070 36.55622 
1 1 1    1   22   40 o  134.768   26.663   48.815   16.198   0.0000   0.0000   48.815   16.198  ?   ?   134.768   26.663      ?      ? 
1 1 1    1   22   41 o  105.157   17.352   27.208   8.5279   0.0000   0.0000   27.208   8.5279  ?   ?   105.157   17.352      ?      ? 
1 1 1    1   22   42 o   70.297   16.403   12.174   6.8718   3.6214   10.412   18.774   9.1467   56.664   23.636   83.929   22.750 -27.26513 32.80547 
1 1 1    1   22   43 f  129.490   15.723   45.038   8.5906   47.731   10.585   39.841   14.704  139.067   16.286  119.913   26.901 19.15353 31.44636 
1 1 1    1   22   44 o  170.469   17.471   79.881   12.369   70.034   21.270   84.912   15.203  156.599   30.157  184.340   17.647 -27.74068 34.94115 
1 1 1    1   22   45 o   69.408   15.197   10.182   5.4719   20.968   9.6275   5.0350   6.6505   87.721   23.147   51.095   19.697 36.62633 30.39339 
1 1 1    1   22   46 o   37.218   12.395 -10.4248   5.7461 -18.1880   7.8206  -1.3176   8.4706   29.281   14.566   45.155   20.058 -15.87438 24.78926 
1 1 1    1   22   47 o   45.359   13.023   1.3762   4.7410   6.6372   6.4583  -4.7727   6.9820   53.953   19.692   36.766   17.046 17.18633 26.04537 
1 1 1    1   22   48 o   76.483   16.874   15.404   6.4147   19.513   11.056   13.319   7.8759   82.735   25.799   70.232   21.755 12.50301 33.74725 
1 1 1    1   22   49 o   76.829   14.100   15.536   5.4391   8.2751   7.3221   24.476   8.1244   57.914   20.994   95.744   18.828 -37.83040 28.19972 
1 1 1    1   22   50 o  103.081   18.434   31.476   8.9417   27.125   12.539   35.977   12.754   94.780   27.002  111.381   25.103 -16.60085 36.86821 
1 1 1    1   22   51 o  152.614   15.568   61.133   10.692   54.766   13.204   73.263   18.224  143.756   19.653  161.473   24.149 -17.71756 31.13593 
1 1 1    1   22   52 o   74.939   16.073   17.257   6.4762   21.165   8.1137   10.399   10.750   86.614   20.384   63.264   24.857 23.35056 32.14552 
1 1 1    1   22   53 o   94.001   20.352   30.116   9.7446   28.257   13.141   32.387   14.524   91.528   28.060   96.473   29.487 -4.944328 40.70400 
1 1 1    1   22   54 o   54.207   14.432   6.8845   5.4339  -0.0002   8.7754   11.166   6.9202   45.559   20.315   62.855   20.503 -17.29678 28.86340 
1 1 1    1   22   55 o   64.249   17.395   12.787   7.2426   11.441   9.5812   14.581   11.063   61.650   23.674   66.848   25.494 -5.197956 34.79079 
1 1 1    1   22   56 o   68.518   18.293   16.294   8.2152   21.322   11.681   11.373   11.557   76.285   26.633   60.752   25.084 15.53325 36.58560 
1 1 1    1   22   57 o   49.068   13.257   4.8545   5.2914   11.899   6.5321  -8.5910   9.0245   61.882   19.898   36.253   17.524 25.62824 26.51461 
1 1 1    1   22   58 o   64.965   15.645   14.463   5.9939   17.386   7.6241   9.7312   9.6989   73.459   21.096   56.471   23.109 16.98714 31.29003 
1 1 1    1   22   59 o   53.712   15.855   7.9430   7.2167  -0.5124   10.670   15.072   9.7974   44.281   20.711   63.142   24.013 -18.86097 31.71059 
1 1 1    1   23    0 o   37.505   12.953   4.8821   3.7923   4.8821   3.7923   4.8821   3.7923   37.505   18.319   37.505   18.319 -0.000000 0.000000 
1 1 1    1   23    1 o   70.400   10.348   12.129   3.3706   16.809   4.8272   7.6761   4.7085   84.414   12.236   56.386   16.691 28.02859 20.69529 
1 1 1    1   23    2 o  120.881   13.936   38.384   6.8604   43.209   8.3772   28.561   11.954  135.229   13.255  106.533   24.519 28.69549 27.87223 
1 1 1    1   23    3 o  281.744   16.312  191.824   21.478  192.662   30.389  190.987   30.360  282.375   23.028  281.112   23.109 1.262421 32.62346 
1 1 1    1   23    4 o  273.769   15.907  181.072   20.316  168.794   28.721  193.367   28.741  264.170   23.263  283.368   21.702 -19.19888 31.81467 
1 1 1    1   23    5 o  105.674   13.538   29.737   5.9462   20.603   10.185   34.460   7.3240   90.580   23.763  120.768   12.976 -30.18773 27.07554 
1 1 1    1   23    6 o   59.750   11.691   9.2589   3.2497   5.9340   6.3330   10.447   3.7862   54.104   19.538   65.397   12.846 -11.29338 23.38300 
1 1 1    1   23    7 o  223.617   15.536  118.806   16.236   0.0000   0.0000  118.806   16.236  ?   ?   223.617   15.536      ?      ? 
1 1 1    1   23    8 o  100.143   8.9847   24.102   4.0918   21.764   6.3954   25.723   5.3242   95.811   14.283  104.475   10.904 -8.664482 17.96940 
1 1 1    1   23    9 o  266.467   13.729  169.407   16.799  176.540   26.551  164.646   21.693  270.500   21.002  262.433   17.688 8.067108 27.45808 
1 1 1    1   23   10 o  439.068   23.397  506.947   45.409  404.567   71.746  575.362   58.650  394.082   38.956  484.053   25.926 -89.97083 46.79406 
1 1 1    1   23   11 o  104.790   8.6010   25.231   4.1478   30.378   6.6053   21.879   5.3297  113.338   12.470   96.243   11.849 17.09531 17.20206 
1 1 1    1   23   12 o  137.026   9.3822   44.523   5.8965   44.244   9.2547   44.713   7.6503  136.483   14.509  137.570   11.899 -1.087234 18.76443 
1 1 1    1   23   13 o  150.164   10.997   54.509   7.5208   40.625   10.616   68.497   10.656  130.311   17.432  170.017   13.411 -39.70644 21.99366 
1 1 1    1   23   14 o   33.520   10.044   0.0293   2.7861   1.7295   3.4566  -3.1235   4.7071   35.698   14.073   31.343   14.336 4.355530 20.08875 
1 1 1    1   23   15 o   39.600   9.8195   1.4061   2.9934  -7.9356   4.9844   6.6757   3.7436   26.924   13.017   52.275   14.706 -25.35052 19.63895 
1 1 1    1   23   16 o  172.559   11.580   71.914   9.1439   55.121   12.860   89.082   13.004  151.524   18.161  193.594   14.372 -42.07040 23.15986 
1 1 1    1   23   17 o  296.276   16.045  216.095   21.855  172.958   30.861  259.495   30.955  265.046   24.914  327.505   20.224 -62.45911 32.08948 
1 1 1    1   23   18 f   98.723   12.538   22.914   5.3566   21.141   6.5111   26.626   9.4223   94.202   14.789  103.245   20.251 -9.042900 25.07647 
1 1 1    1   23   19 o  249.142   18.809  153.852   20.611  152.674   25.238  156.212   35.713  250.316   21.574  247.967   30.817 2.348328 37.61763 
1 1 1    1   23   20 o  217.322   13.430  114.306   13.609  105.678   19.244  122.938   19.248  208.826   19.719  225.819   18.239 -16.99338 26.86024 
1 1 1    1   23   21 o  194.239   12.426   90.897   11.280   91.573   15.985   90.226   15.919  194.969   17.543  193.510   17.602 1.458923 24.85115 
1 1 1    1   23   22 o   91.767   10.923   21.086   4.4299   14.909   6.3567   26.919   6.1768   77.081   17.976  106.453   12.415 -29.37241 21.84683 
1 1 1    1   23   23 o  211.643   13.462  109.038   13.313  110.983   18.829  107.092   18.827  213.610   18.861  209.677   19.213 3.933319 26.92320 
1 1 1    1   23   24 o  166.529   10.921   66.997   8.4218   77.548   11.956   56.608   11.865  179.964   14.216  153.094   16.583 26.87006 21.84184 
1 1 1    1   23   25 o   97.171   13.178   24.480   5.5704   19.722   9.1412   27.291   7.0256   87.576   22.281  106.765   14.080 -19.18982 26.35678 
1 1 1    1   23   26 o   96.014   13.325   22.599   5.5342   22.114   6.7532   23.591   9.6568   96.004   15.051   96.023   21.992 -0.1863098E-01 26.64923 
1 1 1    1   23   27 o  293.523   22.093  221.423   28.579  233.473   49.585  215.429   34.972  294.442   36.033  292.604   25.574 1.838348 44.18622 
1 1 1    1   23   28 o  126.277   13.184   36.649   7.3076   45.617   13.292   32.765   8.7484  136.022   20.909  116.533   16.063 19.48841 26.36704 
1 1 1    1   23   29 o  223.949   16.374  119.051   16.359  149.656   28.734  104.374   19.899  242.553   25.348  205.345   20.735 37.20834 32.74823 
1 1 1    1   23   30 o   41.276   18.438  -2.3532   7.2621   0.0000   0.0000  -2.3532   7.2621  ?   ?    41.276   18.438      ?      ? 
1 1 1    1   23   31 o  307.918   31.402  288.104   45.070  269.997   63.808  306.134   63.671  295.263   46.240  320.572   42.498 -25.30847 62.80339 
1 1 1    1   23   32 o  245.959   20.452  161.631   21.724  167.882   26.635  149.210   37.543  258.907   22.013  233.011   34.476 25.89566 40.90377 
1 1 1    1   23   33 o  253.663   18.041  149.548   20.342  106.664   24.911  235.371   35.241  203.541   26.187  303.786   24.822 -100.2446 36.08178 
1 1 1    1   23   34 o   73.163   14.234   9.8448   6.6612  -6.4832   9.2430   27.488   9.6082   42.603   19.703  103.723   20.548 -61.11995 28.46765 
1 1 1    1   23   35 o  335.418   34.988  356.326   54.840  351.575   77.539  361.081   77.571  332.411   49.912  338.425   49.045 -6.014282 69.97568 
1 1 1    1   23   36 o  109.114   17.323   31.342   8.9356   41.350   12.716   21.580   12.559  128.446   21.184   89.781   27.415 38.66457 34.64573 
1 1 1    1   23   37 o  146.436   18.736   57.830   12.282   75.253   17.556   41.130   17.188  172.155   21.820  120.716   30.464 51.43855 37.47258 
1 1 1    1   23   38 o  279.687   29.316  256.724   31.181  166.302   53.796  302.471   38.264  215.923   53.568  343.452   23.839 -127.5289 58.63245 
1 1 1    1   23   39 o  142.466   18.701   54.484   11.992   55.388   17.076   53.604   16.845  143.691   26.401  141.241   26.493 2.449417 37.40185 
1 1 1    1   23   40 o   74.463   17.535   14.128   7.2812   18.210   10.415   10.227   10.183   82.264   24.932   66.662   24.662 15.60180 35.06917 
1 1 1    1   23   41 o  234.800   17.549  133.822   18.447  102.812   22.564  196.304   32.030  197.567   24.438  272.033   25.194 -74.46664 35.09896 
1 1 1    1   23   42 o  242.118   15.933  152.498   18.027  154.058   25.490  150.936   25.500  243.503   22.399  240.733   22.665 2.769394 31.86526 
1 1 1    1   23   43 o  143.884   17.233   58.867   10.216   65.448   12.577   46.102   17.516  162.167   16.594  125.601   30.209 36.56571 34.46675 
1 1 1    1   23   44 o   49.119   14.011   3.5702   5.0756  -2.0352   8.9219   6.2523   6.1715   45.461   20.362   52.777   19.252 -7.316376 28.02287 
1 1 1    1   23   45 o   63.202   14.334   10.292   4.8169   11.978   6.9790   8.7577   6.6566   67.251   20.415   59.153   20.128 8.097240 28.66899 
1 1 1    1   23   46 o  132.661   12.123   44.461   7.5096   46.954   10.733   42.070   10.511  136.487   16.826  128.835   17.457 7.652466 24.24586 
1 1 1    1   23   47 o   59.180   14.713   5.1099   6.4114   17.509   8.8181  -8.7952   9.3385   78.908   22.696   39.451   18.731 39.45694 29.42688 
1 1 1    1   23   48 o   98.509   26.374   29.014   12.384   0.0000   0.0000   29.014   12.384  ?   ?    98.509   26.374      ?      ? 
1 1 1    1   23   49 o  104.285   15.487   28.019   7.0084   22.775   8.5357   38.869   12.278   91.033   20.550  117.537   23.175 -26.50465 30.97363 
1 1 1    1   23   50 o   73.677   14.732   15.249   5.3196   13.097   7.2939   17.694   7.7752   68.228   20.903   79.126   20.764 -10.89818 29.46345 
1 1 1    1   23   51 o   41.896   12.420  -1.1714   4.9760 -14.0521   8.0103   6.9227   6.3499   31.344   15.437   52.447   19.461 -21.10309 24.83999 
1 1 1    1   23   52 o   65.640   16.872   12.309   6.8030   15.174   9.5068   9.3029   9.7392   71.018   24.055   60.261   23.664 10.75670 33.74380 
1 1 1    1   23   53 o   43.236   19.326  -0.0002   7.9926  -0.0002   7.9926   0.0000   0.0000   43.236   19.326  ?   ?       ?      ? 
1 1 1    1   23   54 o   48.950   15.198   3.2193   6.7224   4.8615   9.3089   1.4296   9.7181   50.735   21.802   47.164   21.179 3.571491 30.39594 
1 1 1    1   23   55 o   84.614   17.155   25.678   7.1664   27.216   8.4698   21.802   13.445   95.359   19.658   73.869   28.121 21.49020 34.31094 
1 1 1    1   23   56 o   51.217   15.293   6.0521   6.4077   9.4765   9.0231   2.5681   9.1012   55.979   22.514   46.455   20.704 9.523521 30.58644 
1 1 1    1   23   57 o   63.746   16.140   13.457   5.9457   10.950   7.5052   17.680   9.7434   58.117   21.226   69.375   24.319 -11.25844 32.27910 
1 1 1    1   23   58 o   48.312   14.451   6.2737   5.6123   2.6095   10.393   7.7819   6.6681   46.230   21.203   50.394   19.640 -4.164188 28.90134 
1 1 1    1   24    0 o  331.090   19.137  268.414   41.234  268.414   41.234  268.414   41.234  331.090   27.064  331.090   27.064 -0.000000 0.000000 
1 1 1    1   24    1 o   84.920   10.453   18.008   3.9087   11.088   5.5059   25.039   5.5499   66.863   17.438  102.978   11.532 -36.11504 20.90651 
1 1 1    1   24    2 o  177.696   15.016   80.221   11.375   65.980   19.660   87.388   13.947  163.831   25.676  191.560   15.579 -27.72931 30.03282 
1 1 1    1   24    3 o  157.176   12.179   53.833   8.5398   81.540   14.883   40.233   10.427  184.644   17.247  129.708   17.201 54.93547 24.35847 
1 1 1    1   24    4 o  251.873   17.601  150.000   19.795  174.515   34.327  137.786   24.229  265.345   27.681  238.401   21.746 26.94337 35.20113 
1 1 1    1   24    5 o  120.131   13.016   35.852   6.5734   33.073   11.464   37.214   8.0236  114.999   22.133  125.263   13.706 -10.26455 26.03298 
1 1 1    1   24    6 o  464.654   24.658  555.390   52.236  543.854   82.590  563.082   67.437  455.736   38.777  473.572   30.470 -17.83569 49.31582 
1 1 1    1   24    7 o   71.653   9.6430   12.400   3.0805   12.407   4.9512   12.396   3.9349   70.868   15.390   72.439   11.623 -1.570404 19.28594 
1 1 1    1   24    8 o   85.287   9.0804   16.741   3.4506   23.076   5.4950   12.617   4.4338   98.799   11.901   71.775   13.718 27.02401 18.16070 
1 1 1    1   24    9 o  249.655   19.025  157.941   20.557  144.138   35.604  164.844   25.177  238.340   31.964  260.970   20.643 -22.62947 38.05046 
1 1 1    1   24   10 f  234.691   14.239  133.215   15.612  128.940   22.061  137.504   22.097  230.794   20.453  238.589   19.817 -7.794937 28.47856 
1 1 1    1   24   11 o  303.759   22.763  238.581   30.022  224.068   51.924  245.869   36.796  291.641   38.096  315.876   24.925 -24.23456 45.52541 
1 1 1    1   24   12 o  346.417   24.336  300.210   37.552  278.117   45.968  344.533   65.110  332.196   29.609  360.637   38.631 -28.44070 48.67258 
1 1 1    1   24   13 o  274.301   16.298  184.393   20.882  177.844   29.531  190.942   29.532  269.192   23.473  279.409   22.615 -10.21628 32.59515 
1 1 1    1   24   14 o  156.573   13.361   60.232   9.1102   62.288   11.163   56.130   15.765  161.627   14.778  151.519   22.263 10.10774 26.72126 
1 1 1    1   24   15 o  415.332   41.820  570.192   66.306  656.252   81.256  398.682  114.710  501.714   34.654  328.950   76.124 172.7643 83.64078 
1 1 1    1   24   16 o  146.348   15.172   51.203   10.377   51.203   10.377   0.0000   0.0000  146.348   15.172  ?   ?       ?      ? 
1 1 1    1   24   17 f  295.194   27.979  240.966   36.041  308.911   51.094  173.678   50.846  345.781   31.617  244.606   46.171 101.1745 55.95895 
1 1 1    1   24   18 o  186.097   17.067   83.549   14.843   83.549   14.843   0.0000   0.0000  186.097   17.067  ?   ?       ?      ? 
1 1 1    1   24   19 o  265.561   16.073  174.983   19.892  160.420   28.089  189.635   28.175  253.816   23.680  277.306   21.740 -23.49054 32.14605 
1 1 1    1   24   20 o  160.603   11.283   62.325   8.4410   67.190   11.850   57.314   12.027  167.219   15.163  153.987   16.712 13.23187 22.56569 
1 1 1    1   24   21 o  268.821   16.287  180.007   20.454  185.610   28.927  174.404   28.926  273.281   22.649  264.362   23.412 8.918671 32.57470 
1 1 1    1   24   22 o  115.497   14.136   34.223   6.6953   30.558   12.170   35.814   8.0175  108.618   24.552  122.377   14.018 -13.75985 28.27213 
1 1 1    1   24   23 o  253.942   18.936  159.935   21.292  174.216   36.999  152.864   26.035  259.301   30.531  248.584   22.410 10.71695 37.87273 
1 1 1    1   24   24 o   83.792   14.104   16.304   5.1507   22.940   9.3271   13.392   6.1781   94.723   21.554   72.862   18.197 21.86103 28.20874 
1 1 1    1   24   25 f  113.738   12.320   28.518   6.0661   43.048   11.046   22.245   7.2584  132.996   17.772   94.479   17.067 38.51723 24.63988 
1 1 1    1   24   26 o   89.534   16.877   21.169   7.3969   26.833   10.192   14.866   10.752  102.000   22.025   77.067   25.577 24.93297 33.75349 
1 1 1    1   24   27 o  220.754   21.288  129.441   21.957  125.938   30.952  132.989   31.153  217.434   30.459  224.074   29.749 -6.639130 42.57597 
1 1 1    1   24   28 o   82.950   14.810   17.189   5.2883   16.569   6.1973   18.848   10.143   81.098   16.899   84.803   24.326 -3.705391 29.62021 
1 1 1    1   24   29 o   51.502   18.496   5.6902   5.6667   5.6902   5.6667   0.0000   0.0000   51.502   18.496  ?   ?       ?      ? 
1 1 1    1   24   30 o  124.390   16.652   44.501   8.5338   52.432   10.385   28.008   14.975  147.329   15.083  101.452   29.692 45.87642 33.30306 
1 1 1    1   24   31 o  303.917   24.691  253.875   32.728  253.198   40.079  255.230   56.700  312.179   27.471  295.654   41.035 16.52505 49.38146 
1 1 1    1   24   32 o  110.572   17.887   32.267   9.0478   34.036   12.794   30.498   12.797  113.900   24.742  107.244   25.839 6.655800 35.77434 
1 1 1    1   24   33 o   42.086   12.252  -2.0608   4.8932   6.0083   5.8844 -20.1462   8.8095   52.626   18.854   31.546   15.654 21.07983 24.50501 
1 1 1    1   24   34 o  210.219   30.038  119.891   29.511   0.0000   0.0000  119.891   29.511  ?   ?   210.219   30.038      ?      ? 
1 1 1    1   24   35 o  161.139   14.790   63.113   10.597   72.924   18.496   58.319   12.930  168.641   23.467  153.638   18.007 15.00284 29.57994 
1 1 1    1   24   36 o   97.213   16.216   25.296   7.0273   23.048   11.917   26.495   8.7013   92.417   26.321  102.008   18.949 -9.591606 32.43276 
1 1 1    1   24   37 o   70.231   15.483   10.229   5.6424   20.811   9.9242   5.1745   6.8589   88.211   23.607   52.251   20.039 35.95973 30.96543 
1 1 1    1   24   38 o   66.078   14.067   10.679   4.8756   15.850   7.2820   6.4765   6.5640   77.799   19.937   54.357   19.851 23.44187 28.13427 
1 1 1    1   24   39 f  101.069   13.665   26.405   6.2780   31.496   8.8615   21.275   8.8955  112.701   16.824   89.436   21.539 23.26563 27.33099 
1 1 1    1   24   40 o  165.220   20.432   77.352   14.984  100.318   21.316   54.922   21.066  195.541   23.326  134.900   33.554 60.64185 40.86466 
1 1 1    1   24   41 o  143.931   16.955   57.159   10.201   60.622   12.529   50.349   17.568  155.648   17.224  132.214   29.210 23.43349 33.91008 
1 1 1    1   24   42 f   84.758   16.465   18.684   6.4105   16.319   7.8009   23.603   11.250   77.929   20.962   91.586   25.397 -13.65671 32.93024 
1 1 1    1   24   43 o   92.219   16.405   23.176   6.7565   24.156   11.875   22.707   8.2162   91.857   26.313   92.582   19.600 -0.7255783 32.81017 
1 1 1    1   24   44 o  100.337   15.515   27.045   6.8722   25.938   8.6256   28.969   11.371   99.044   19.328  101.630   24.275 -2.586128 31.02967 
1 1 1    1   24   45 o   88.843   13.600   20.764   5.6472   28.312   8.3529   14.410   7.6641  105.357   16.964   72.329   21.262 33.02740 27.20034 
1 1 1    1   24   46 f   68.339   15.925   12.731   5.6638   12.673   6.8353   12.858   10.117   68.068   20.099   68.610   24.706 -0.5423279 31.84932 
1 1 1    1   24   47 o   48.523   13.619  -1.0535   4.8653  -6.9826   5.8642   12.041   8.7149   30.444   14.562   66.603   23.019 -36.15865 27.23838 
1 1 1    1   24   48 o   64.373   12.672   10.498   4.8965  -0.1489   7.1263   20.021   6.7393   42.110   18.566   86.635   17.251 -44.52493 25.34377 
1 1 1    1   24   49 o   62.918   14.724   11.267   5.0419   10.837   7.0928   11.707   7.1685   61.892   20.779   63.945   20.868 -2.053070 29.44884 
1 1 1    1   24   50 o  158.417   18.603   67.742   13.773   0.0000   0.0000   67.742   13.773  ?   ?   158.417   18.603      ?      ? 
1 1 1    1   24   51 o   84.488   26.765   23.723   11.853   0.0000   0.0000   23.723   11.853  ?   ?    84.488   26.765      ?      ? 
1 1 1    1   24   52 f   87.952   19.450   28.064   8.9009   29.855   12.598   26.280   12.577   91.236   27.369   84.667   27.642 6.568848 38.89927 
1 1 1    1   24   53 o   55.106   23.249   7.8524   10.254   7.8524   10.254   0.0000   0.0000   55.106   23.249  ?   ?       ?      ? 
1 1 1    1   24   54 o   59.079   16.281   11.151   6.6284   14.168   9.1392   7.8043   9.6277   64.348   23.435   53.810   22.606 10.53805 32.56137 
1 1 1    1   24   55 o   62.834   16.960   13.785   6.9706   15.358   9.6942   12.101   10.030   65.702   24.105   59.966   23.866 5.736874 33.92079 
1 1 1    1   24   56 o   64.862   17.374   15.607   7.4936   23.945   11.293   9.0473   10.017   76.116   26.209   53.608   22.815 22.50724 34.74796 
1 1 1    1   25    0 o  196.232   19.583   98.063   23.942   98.063   23.942   98.063   23.942  196.232   27.695  196.232   27.695 -0.000000 0.000000 
1 1 1    1   25    1 o  254.697   22.531  166.740   26.496  139.251   37.412  194.402   37.530  231.568   34.569  277.826   28.904 -46.25819 45.06103 
1 1 1    1   25    2 o  281.203   24.845  206.075   32.651  205.792   46.164  206.358   46.188  280.996   35.153  281.409   35.119 -0.4140320 49.68961 
1 1 1    1   25    3 o   86.885   12.463   18.910   4.7023   19.798   5.7842   17.180   8.0752   91.262   13.562   82.509   20.914 8.752663 24.92608 
1 1 1    1   25    4 o  240.751   19.431  150.886   19.985  162.318   24.504  128.173   34.539  258.585   20.276  222.917   33.153 35.66821 38.86184 
1 1 1    1   25    5 o  127.175   12.225   38.237   6.8963   36.902   8.4475   40.903   11.941  124.421   14.528  129.929   19.665 -5.508682 24.44926 
1 1 1    1   25    6 o  186.703   15.399   86.883   12.503   90.318   15.338   80.081   21.584  193.935   16.923  179.471   25.733 14.46385 30.79877 
1 1 1    1   25    7 o  106.364   9.7612   26.954   4.8477   25.901   6.9020   27.979   6.8101  104.260   14.165  108.468   13.434 -4.208710 19.52238 
1 1 1    1   25    8 o  301.867   17.716  227.841   24.657  187.167   34.837  268.675   34.905  272.998   27.305  330.737   22.582 -57.73874 35.43295 
1 1 1    1   25    9 o  130.067   15.324   42.219   8.9940   49.820   12.800   34.808   12.640  143.345   19.107  116.789   23.962 26.55677 30.64720 
1 1 1    1   25   10 o  249.201   13.139  150.065   15.000  152.285   23.722  148.585   19.363  249.874   20.314  248.527   16.671 1.346527 26.27854 
1 1 1    1   25   11 o  216.331   12.726  117.666   12.251   94.563   19.291  133.280   15.859  196.487   21.008  236.175   14.368 -39.68869 25.45147 
1 1 1    1   25   12 o  180.405   10.069   75.491   8.3509   91.544   13.357   65.190   10.700  195.574   14.613  165.237   13.856 30.33760 20.13798 
1 1 1    1   25   13 o  157.592   11.126   59.777   8.1847   57.064   11.649   62.422   11.502  153.926   16.193  161.258   15.262 -7.332306 22.25212 
1 1 1    1   25   14 o  156.111   13.128   59.717   8.1655   58.499   16.487   60.112   9.3993  153.371   23.001  158.850   12.661 -5.478790 26.25548 
1 1 1    1   25   15 o   91.630   14.009   25.080   5.6903   10.193   10.407   31.430   6.7962   68.424   24.994  114.837   12.663 -46.41364 28.01895 
1 1 1    1   25   16 o  139.088   12.842   46.379   7.8109   48.979   13.854   45.167   9.4573  140.978   21.027  137.197   14.750 3.780304 25.68452 
1 1 1    1   25   17 o  189.089   18.102   90.121   15.963   97.085   22.705   83.315   22.447  196.796   24.687  181.382   26.480 15.41367 36.20304 
1 1 1    1   25   18 o   90.250   13.922   24.889   5.9100   6.3628   10.644   33.147   7.1062   62.539   24.681  117.962   12.890 -55.42287 27.84461 
1 1 1    1   25   19 o  229.867   16.889  126.891   17.334  148.776   30.081  116.012   21.209  242.441   26.548  217.292   20.885 25.14955 33.77855 
1 1 1    1   25   20 o  133.001   16.642   45.519   9.8943   57.860   14.009   33.236   13.976  153.755   19.496  112.247   26.977 41.50815 33.28419 
1 1 1    1   25   21 o   61.938   15.125   8.5618   5.4121   11.641   7.8515   5.7741   7.4704   68.583   21.790   55.292   20.982 13.29142 30.25022 
1 1 1    1   25   22 o  124.147   15.878   39.848   8.7523   60.393   12.800   21.805   11.995  157.421   17.398   90.872   26.567 66.54868 31.75657 
1 1 1    1   25   23 o  151.844   18.304   61.979   12.127   38.190   17.168   85.673   17.134  117.549   30.858  186.139   19.696 -68.59088 36.60830 
1 1 1    1   25   24 o  232.484   16.898  132.261   17.513  121.178   21.407  154.691   30.454  220.585   20.766  244.384   26.664 -23.79890 33.79637 
1 1 1    1   25   25 o  107.234   13.640   27.565   6.2397   25.452   7.4873   32.371   11.289  102.512   15.628  111.955   22.359 -9.442665 27.27951 
1 1 1    1   25   26 o  126.702   15.987   46.688   8.1554   56.214   9.9609   27.316   14.204  152.923   13.937  100.481   28.777 52.44105 31.97445 
1 1 1    1   25   27 o   80.662   15.566   17.155   5.9222   18.441   7.3177   14.712   10.082   85.090   18.894   76.234   24.742 8.855576 31.13115 
1 1 1    1   25   28 o  135.852   13.666   43.222   8.2761   38.378   10.068   53.317   14.534  125.454   17.171  146.251   21.264 -20.79712 27.33125 
1 1 1    1   25   29 o   91.221   15.614   22.255   6.3397   23.941   7.6953   18.692   11.185   97.786   17.480   84.657   25.876 13.12881 31.22706 
1 1 1    1   25   30 o  142.527   25.547   53.360   16.392   0.0000   0.0000   53.360   16.392  ?   ?   142.527   25.547      ?      ? 
1 1 1    1   25   31 o  133.815   18.116   47.258   11.065   39.752   15.316   55.454   16.004  120.496   27.767  147.135   23.274 -26.63947 36.23139 
1 1 1    1   25   32 o  141.786   17.226   49.469   11.414   0.0000   0.0000   49.469   11.414  ?   ?   141.786   17.226      ?      ? 
1 1 1    1   25   33 o  285.987   31.488  261.269   37.491  380.791   53.266  143.928   52.778  375.165   30.380  196.810   55.164 178.3556 62.97584 
1 1 1    1   25   34 o  226.914   19.392  138.087   19.131  132.073   32.988  141.134   23.483  217.677   32.427  236.152   21.277 -18.47462 38.78458 
1 1 1    1   25   35 o   52.898   22.391   2.1878   9.5604   0.0000   0.0000   2.1878   9.5604  ?   ?    52.898   22.391      ?      ? 
1 1 1    1   25   36 o  257.232   16.762  173.036   20.144  177.120   28.435  168.922   28.542  260.698   23.339  253.765   24.066 6.933640 33.52442 
1 1 1    1   25   37 o  115.530   12.843   34.112   6.6362   26.845   9.3389   41.525   9.4319  101.170   20.455  129.891   15.537 -28.72060 25.68668 
1 1 1    1   25   38 o  122.687   17.165   47.471   9.0481   60.109   11.118   22.682   15.571  156.259   15.224   89.116   30.771 67.14316 34.33076 
1 1 1    1   25   39 o  210.463   18.587  120.660   17.099  121.109   29.533  120.434   20.971  205.044   30.819  215.882   20.786 -10.83815 37.17318 
1 1 1    1   25   40 o   38.864   12.302  -1.8724   4.5920  -1.2648   6.6935  -2.4127   6.3116   40.239   17.855   37.488   16.930 2.751862 24.60488 
1 1 1    1   25   41 o  122.347   18.291   42.303   10.409   56.435   14.912   28.874   14.536  146.362   21.800   98.332   29.376 48.02979 36.58179 
1 1 1    1   25   42 o   92.479   19.822   22.856   8.3094   22.856   8.3094   0.0000   0.0000   92.479   19.822  ?   ?       ?      ? 
1 1 1    1   25   43 o  156.276   20.303   72.891   14.459   65.842   20.452   79.935   20.445  145.320   31.056  167.231   26.159 -21.91138 40.60543 
1 1 1    1   25   44 o   46.349   18.882   3.3041   6.4396   3.3041   6.4396   0.0000   0.0000   46.349   18.882  ?   ?       ?      ? 
1 1 1    1   25   45 f   69.664   16.629   12.311   7.0142   4.2531   9.7257   21.044   10.125   54.193   22.742   85.134   24.268 -30.94096 33.25813 
1 1 1    1   25   46 o   54.558   14.913   5.8580   5.2328   10.610   8.8985   3.3458   6.4697   63.011   23.098   46.105   18.871 16.90604 29.82640 
1 1 1    1   25   47 o   46.066   12.995   3.7651   4.3475   0.9290   6.1825   6.5395   6.1148   40.722   17.634   51.411   19.093 -10.68964 25.99028 
1 1 1    1   25   48 o  101.444   18.974   32.939   9.1837   29.013   12.836   37.056   13.145   94.162   27.470  108.727   26.182 -14.56449 37.94831 
1 1 1    1   25   49 o   70.337   25.143   15.375   10.460   0.0000   0.0000   15.375   10.460  ?   ?    70.337   25.143      ?      ? 
1 1 1    1   25   50 o   60.423   16.580   10.491   6.7062   14.590   10.190   7.3598   8.9068   66.637   24.668   54.209   22.160 12.42859 33.15939 
1 1 1    1   25   51 o   67.446   25.602   15.952   11.125   0.0000   0.0000   15.952   11.125  ?   ?    67.446   25.602      ?      ? 
1 1 1    1   25   52 o  110.840   16.265   36.088   8.0854   25.480   9.8882   57.489   14.045   86.661   23.722  135.019   22.258 -48.35868 32.52934 
1 1 1    1   25   53 o   41.202   17.833   2.1318   6.3172   2.1318   6.3172   0.0000   0.0000   41.202   17.833  ?   ?       ?      ? 
1 1 1    1   25   54 o   47.488   14.399   2.9595   6.1709  -4.7497   8.5413   11.377   8.9253   37.372   17.792   57.604   22.643 -20.23172 28.79751 
1 1 1    1   26    0 o  269.944   25.456  191.307   43.156  191.307   43.156  191.307   43.156  269.944   36.000  269.944   36.000 -0.000000 0.000000 
1 1 1    1   26    1 o  181.189   17.408   82.462   14.715   87.660   20.809   77.261   20.813  187.330   23.768  175.047   25.441 12.28246 34.81586 
1 1 1    1   26    2 o   57.880   19.076   7.9146   5.9848   0.0000   0.0000   7.9146   5.9848  ?   ?    57.880   19.076      ?      ? 
1 1 1    1   26    3 o  135.350   20.994   45.131   13.280   0.0000   0.0000   45.131   13.280  ?   ?   135.350   20.994      ?      ? 
1 1 1    1   26    4 o   82.639   13.729   16.330   5.3022   0.0000   0.0000   16.330   5.3022  ?   ?    82.639   13.729      ?      ? 
1 1 1    1   26    5 o  158.372   15.630   60.387   11.569   0.0000   0.0000   60.387   11.569  ?   ?   158.372   15.630      ?      ? 
1 1 1    1   26    6 o   63.165   15.793   9.9785   4.6496   0.0000   0.0000   9.9785   4.6496  ?   ?    63.165   15.793      ?      ? 
1 1 1    1   26    7 o  141.080   14.832   47.778   9.7794   0.0000   0.0000   47.778   9.7794  ?   ?   141.080   14.832      ?      ? 
1 1 1    1   26    8 o  117.434   14.238   33.029   7.8145   0.0000   0.0000   33.029   7.8145  ?   ?   117.434   14.238      ?      ? 
1 1 1    1   26    9 o  199.564   26.541  100.971   24.754   0.0000   0.0000  100.971   24.754  ?   ?   199.564   26.541      ?      ? 
1 1 1    1   26   10 o  263.416   23.897  198.667   24.911  144.831   43.045  225.779   30.547  224.221   42.636  302.611   21.599 -78.38988 47.79454 
1 1 1    1   26   11 o  101.289   11.125   25.703   4.9506   32.623   6.9029   18.375   7.1039  117.072   12.616   85.506   18.328 31.56631 22.25040 
1 1 1    1   26   12 o   51.626   12.620   5.8221   3.5939   5.4869   4.4887   6.4209   5.9985   49.084   16.529   54.167   19.075 -5.082443 25.24011 
1 1 1    1   26   13 o  180.461   18.388   84.530   14.350  115.130   20.577   55.557   20.023  216.713   20.317  144.210   30.653 72.50305 36.77502 
1 1 1    1   26   14 o   80.039   23.521   16.364   9.3805   16.364   9.3805   0.0000   0.0000   80.039   23.521  ?   ?       ?      ? 
1 1 1    1   26   15 o  238.427   18.943  148.762   19.422  134.036   33.707  156.082   23.764  224.977   32.058  251.876   20.188 -26.89914 37.88511 
1 1 1    1   26   16 o  115.124   14.179   34.570   6.7295   29.567   12.005   36.863   8.1265  106.297   24.645  123.951   14.028 -17.65450 28.35752 
1 1 1    1   26   17 o   76.941   13.959   16.023   4.9055   18.022   5.8570   11.327   8.9785   85.244   15.262   68.639   23.376 16.60514 27.91758 
1 1 1    1   26   18 o   87.066   16.566   19.972   6.9783   16.055   10.156   23.475   9.6047   79.001   24.742   95.131   22.036 -16.13055 33.13246 
1 1 1    1   26   19 o  281.519   21.363  205.980   26.641  195.328   32.606  227.374   46.209  275.986   25.279  287.052   34.445 -11.06531 42.72568 
1 1 1    1   26   20 o  173.008   17.208   76.259   13.807   65.335   19.277   87.768   19.786  159.335   25.887  186.682   22.679 -27.34686 34.41597 
1 1 1    1   26   21 o  130.533   15.096   41.163   9.2092   41.163   9.2092   0.0000   0.0000  130.533   15.096  ?   ?       ?      ? 
1 1 1    1   26   22 o  154.128   15.941   57.595   11.483   57.595   11.483   0.0000   0.0000  154.128   15.941  ?   ?       ?      ? 
1 1 1    1   26   23 o  263.988   20.383  180.380   23.690  175.224   28.962  190.807   41.181  263.200   23.545  264.777   33.279 -1.576416 40.76618 
1 1 1    1   26   24 o   98.704   12.878   20.918   5.4007   16.120   6.3134   34.007   10.428   79.865   17.406  117.543   18.983 -37.67761 25.75515 
1 1 1    1   26   25 o  194.357   19.500   98.033   17.703  101.162   25.005   94.888   25.068  197.838   27.044  190.876   28.101 6.962051 39.00045 
1 1 1    1   26   26 o  155.156   19.079   64.319   13.127   83.173   18.518   45.272   18.612  182.384   21.725  127.928   31.370 54.45596 38.15813 
1 1 1    1   26   27 o  245.139   24.170  167.725   27.626  178.583   39.031  156.826   39.107  254.680   32.792  235.597   35.518 19.08293 48.34090 
1 1 1    1   26   28 o  231.519   23.205  149.825   25.053  159.278   35.409  140.348   35.453  240.295   31.530  222.744   34.056 17.55081 46.41085 
1 1 1    1   26   29 f  176.830   17.592   83.416   12.924   75.813   22.585   87.118   15.759  165.800   30.262  187.859   17.949 -22.05905 35.18459 
1 1 1    1   26   30 o   55.819   14.948   6.2698   5.2411   3.9515   9.1633   7.3970   6.3894   55.042   22.486   56.597   19.701 -1.555187 29.89549 
1 1 1    1   26   31 o  132.588   12.496   43.845   7.6067   34.880   10.748   52.843   10.767  118.100   19.473  147.076   15.665 -28.97583 24.99134 
1 1 1    1   26   32 o  186.429   13.262   87.041   11.526   80.296   16.274   93.832   16.328  178.683   19.488  194.175   17.993 -15.49239 26.52373 
1 1 1    1   26   33 o  224.117   14.571  127.884   15.249  121.895   21.490  133.960   21.642  218.429   21.051  229.806   20.151 -11.37689 29.14133 
1 1 1    1   26   34 o   47.572   12.998   1.1336   5.1567   9.1071   6.4185 -13.3829   8.6605   60.335   19.749   34.808   16.906 25.52729 25.99683 
1 1 1    1   26   35 f  194.593   19.276   95.981   17.530   95.981   17.530   0.0000   0.0000  194.593   19.276  ?   ?       ?      ? 
1 1 1    1   26   36 o  155.820   15.680   62.335   10.831   67.044   18.670   59.946   13.297  157.662   25.338  153.977   18.478 3.684982 31.35973 
1 1 1    1   26   37 o  225.685   22.238  151.547   20.634  135.156   35.608  159.833   25.318  204.415   38.690  246.954   21.937 -42.53899 44.47645 
1 1 1    1   26   38 o  118.812   13.015   36.538   6.9775   41.124   9.7199   31.661   10.022  128.301   16.210  109.324   20.365 18.97730 26.02932 
1 1 1    1   26   39 o   60.922   14.149   8.1523   5.1516   15.760   7.6195   1.7468   6.9917   76.355   20.792   45.490   19.196 30.86528 28.29779 
1 1 1    1   26   40 o  142.033   12.765   52.025   8.3257   62.833   11.856   41.512   11.694  158.001   16.056  126.065   19.848 31.93555 25.52950 
1 1 1    1   26   41 o   98.465   13.481   25.919   6.0408   31.901   8.6291   20.170   8.4595  111.822   16.512   85.107   21.315 26.71432 26.96224 
1 1 1    1   26   42 o   66.054   15.949   10.223   5.7708   6.4361   7.0747   17.751   9.9760   53.688   20.408   78.420   24.516 -24.73252 31.89848 
1 1 1    1   26   43 o   63.161   17.165   9.8030   7.1428   11.186   10.200   8.4726   10.005   65.516   24.595   60.806   23.951 4.710743 34.33045 
1 1 1    1   26   44 o  148.733   15.623   59.761   10.253   55.649   12.473   68.328   18.003  144.798   18.431  152.668   25.232 -7.869812 31.24676 
1 1 1    1   26   45 o  109.553   16.468   34.725   7.7503   32.508   9.4127   39.390   13.657  107.953   19.368  111.154   26.638 -3.201195 32.93521 
1 1 1    1   26   46 o   66.185   24.499   12.691   10.051   0.0000   0.0000   12.691   10.051  ?   ?    66.185   24.499      ?      ? 
1 1 1    1   26   47 o   60.844   15.075   5.6449   6.2803   21.726   9.9834  -4.8869   8.0792   83.295   24.205   38.393   17.978 44.90144 30.15058 
1 1 1    1   26   48 o  120.799   20.538   52.692   11.536   46.394   16.512   58.696   16.122  109.846   30.879  131.753   27.088 -21.90745 41.07641 
1 1 1    1   26   49 o   67.206   17.400   15.444   7.1492   16.098   9.9043   14.732   10.330   68.585   24.472   65.826   24.743 2.758316 34.80074 
1 1 1    1   26   50 o   42.040   13.183   1.0884   5.0772  -0.4506   6.6210   3.2852   7.9102   38.303   17.315   45.776   19.884 -7.472904 26.36646 
1 1 1    1   26   51 o   66.655   15.974   13.399   5.7796   9.0866   7.1019   21.856   9.9451   54.875   20.538   78.435   24.471 -23.56030 31.94718 
1 1 1    1   26   52 o   33.215   11.487 -10.3922   5.7963  -5.9985   8.7780 -13.7892   7.7184   36.989   17.726   29.442   14.617 7.547134 22.97494 
1 1 1    1   26   53 o   41.808   13.687  -0.0479   6.3241   0.5102   9.1473  -0.5589   8.7531   42.626   19.674   40.991   19.033 1.635178 27.37377 
1 1 1    1   27    0 o  218.897   21.586  124.174   29.492  124.174   29.492  124.174   29.492  218.897   30.527  218.897   30.527 -0.000000 0.000000 
1 1 1    1   27    1 o   80.560   14.104   16.356   5.3697   21.335   7.8269   11.929   7.3805   92.006   18.837   69.113   20.997 22.89327 28.20784 
1 1 1    1   27    2 o   73.402   13.566   13.279   5.1457   21.410   7.3590   5.5004   7.1979   92.524   17.663   54.279   20.596 38.24515 27.13272 
1 1 1    1   27    3 o   50.844   15.918   6.2103   4.2038   6.2103   4.2038   0.0000   0.0000   50.844   15.918  ?   ?       ?      ? 
1 1 1    1   27    4 o  327.017   27.806  274.870   42.497  274.870   42.497   0.0000   0.0000  327.017   27.806  ?   ?       ?      ? 
1 1 1    1   27    5 o  182.711   16.953   80.948   14.476   80.948   14.476   0.0000   0.0000  182.711   16.953  ?   ?       ?      ? 
1 1 1    1   27    6 o  127.768   14.517   39.222   8.6687   39.222   8.6687   0.0000   0.0000  127.768   14.517  ?   ?       ?      ? 
1 1 1    1   27    7 o   60.984   12.924   9.3837   3.8911   10.239   4.7318   7.5965   6.8381   63.882   15.909   58.086   20.372 5.795559 25.84835 
1 1 1    1   27    8 o   57.636   11.790   8.7293   3.8339   12.742   4.6657   0.3873   6.7273   71.614   14.439   43.658   18.641 27.95567 23.57938 
1 1 1    1   27    9 o   75.826   12.943   14.846   4.3753   15.599   5.3645   13.351   7.5614   79.234   15.037   72.417   21.071 6.816887 25.88621 
1 1 1    1   27   10 o  113.144   12.203   30.529   6.1555   28.981   7.5621   33.569   10.597  109.625   14.760  116.663   19.436 -7.038086 24.40512 
1 1 1    1   27   11 o  230.395   12.403  126.963   13.171  113.680   16.992  146.955   20.846  216.029   16.830  244.761   18.223 -28.73198 24.80601 
1 1 1    1   27   12 o   55.585   9.3973   5.8730   3.1308   15.299   4.6960  -1.6696   4.2006   79.961   12.566   31.209   13.976 48.75206 18.79452 
1 1 1    1   27   13 f  191.229   11.243   88.181   9.8717   85.771   12.751   91.785   15.596  188.600   14.467  193.858   17.214 -5.257950 22.48567 
1 1 1    1   27   14 o  114.625   8.9506   30.873   4.7410   27.793   6.1660   35.328   7.4150  107.847   12.234  121.403   13.069 -13.55595 17.90123 
1 1 1    1   27   15 o  102.789   10.103   25.434   4.8377   25.503   7.1344   25.376   6.5820  102.796   14.850  102.782   13.702 0.1396942E-01 20.20619 
1 1 1    1   27   16 o  116.755   10.378   32.851   5.6237   38.091   8.1168   28.014   7.7990  125.915   13.793  107.595   15.510 18.32014 20.75579 
1 1 1    1   27   17 o  148.741   10.952   53.460   7.6079   55.891   10.995   51.226   10.538  151.985   15.479  145.497   15.498 6.487595 21.90390 
1 1 1    1   27   18 o   66.632   14.001   10.909   4.9229   6.2028   6.9475   15.654   6.9766   55.017   20.368   78.247   19.218 -23.23029 28.00289 
1 1 1    1   27   19 o  121.466   15.684   37.841   8.6182   44.985   12.164   30.641   12.212  135.081   19.269  107.851   24.752 27.22987 31.36804 
1 1 1    1   27   20 o  181.799   18.028   84.552   15.215   73.024   21.190   96.821   21.860  168.060   26.979  195.538   23.920 -27.47791 36.05588 
1 1 1    1   27   21 o  132.301   16.140   44.537   9.7452   44.957   13.396   44.065   14.203  134.339   21.336  130.262   24.222 4.077362 32.27937 
1 1 1    1   27   22 o   99.678   15.662   26.279   7.5668   38.808   10.564   13.079   10.843  125.829   17.965   73.526   25.661 52.30267 31.32454 
1 1 1    1   27   23 o   43.000   12.711   1.0303   4.0917   3.1139   6.9703  -0.0652   5.0542   48.730   19.721   37.271   16.042 11.45881 25.42149 
1 1 1    1   27   24 o  145.343   17.683   56.129   11.524   67.917   16.258   44.227   16.336  163.917   21.223  126.769   28.291 37.14722 35.36638 
1 1 1    1   27   25 o   93.096   15.805   22.516   7.5821   35.768   10.747   9.3845   10.698  119.878   19.183   66.314   25.123 53.56428 31.60927 
1 1 1    1   27   26 o   50.116   14.698   0.5136   6.0810   7.1294   8.5389  -6.2941   8.6619   59.312   22.451   40.921   18.977 18.39139 29.39675 
1 1 1    1   27   27 o   36.533   12.078  -6.4737   4.7026  -2.4458   8.2788  -8.3923   5.7139   43.946   19.654   29.120   14.043 14.82648 24.15579 
1 1 1    1   27   28 o   90.630   15.510   20.833   6.3748   26.412   10.391   17.467   8.0722   99.730   22.792   81.529   21.043 18.20086 31.02091 
1 1 1    1   27   29 o  176.540   12.713   77.709   10.474   82.085   14.803   73.321   14.823  181.859   17.417  171.222   18.524 10.63715 25.42582 
1 1 1    1   27   30 o  154.917   12.436   60.060   8.9366   52.544   12.712   67.402   12.565  144.597   18.811  165.237   16.271 -20.63954 24.87226 
1 1 1    1   27   31 o  133.609   16.576   48.651   9.3428   51.578   11.500   42.966   16.025  144.004   17.087  123.214   28.409 20.79002 33.15205 
1 1 1    1   27   32 o  139.053   16.014   51.275   9.4224   49.827   16.347   51.995   11.531  133.685   27.092  144.422   17.084 -10.73679 32.02879 
1 1 1    1   27   33 o  116.421   13.307   35.392   6.8509   26.042   9.7480   44.517   9.6303   98.566   21.745  134.277   15.346 -35.71078 26.61481 
1 1 1    1   27   34 o   45.183   12.944   1.9536   4.4703  -1.9152   6.2956   5.8878   6.3486   38.137   17.092   52.228   19.443 -14.09071 25.88770 
1 1 1    1   27   35 o  154.665   12.675   60.718   9.1345   64.985   12.825   56.325   13.014  160.750   17.071  148.579   18.741 12.17024 25.35044 
1 1 1    1   27   36 o   64.502   14.274   10.708   4.9982   14.846   7.0378   6.4976   7.0995   74.473   19.857   54.531   20.510 19.94172 28.54750 
1 1 1    1   27   37 o   55.636   14.424   7.2133   4.9140   6.5667   7.1409   7.7948   6.7725   54.539   20.558   56.733   20.237 -2.194607 28.84716 
1 1 1    1   27   38 o  107.598   16.237   32.068   7.6070   32.430   13.336   31.893   9.2614  104.001   27.147  111.194   17.822 -7.193420 32.47454 
1 1 1    1   27   39 o  116.105   19.065   40.709   10.314   50.682   14.574   30.703   14.598  133.554   24.242   98.655   29.431 34.89907 38.12920 
1 1 1    1   27   40 o  104.034   14.067   23.918   6.7197   9.3360   8.1090   55.878   12.005   60.732   22.081  147.337   17.435 -86.60542 28.13465 
1 1 1    1   27   41 o   70.618   14.933   13.962   5.3056   13.640   7.3331   14.316   7.6857   69.892   20.862   71.344   21.371 -1.452774 29.86529 
1 1 1    1   27   42 o   72.734   16.596   15.748   6.2348   16.096   7.4975   14.970   11.226   74.905   20.719   70.563   25.931 4.341629 33.19214 
1 1 1    1   27   43 o   45.889   13.354   2.8951   4.7023   6.4556   7.0041  -0.0266   6.3447   52.151   20.183   39.627   17.492 12.52462 26.70845 
1 1 1    1   27   44 o   47.414   14.488   1.2363   6.0922  -3.5606   8.7350   5.7797   8.5012   41.633   19.219   53.195   21.686 -11.56269 28.97683 
1 1 1    1   27   45 o   56.025   16.345   7.1533   6.9379   9.2807   10.181   5.3084   9.4802   59.258   23.886   52.791   22.319 6.467274 32.68996 
1 1 1    1   27   46 o   67.847   17.746   15.394   7.4152   17.199   11.168   13.970   9.9166   70.317   25.860   65.377   24.308 4.940033 35.49131 
1 1 1    1   27   47 o   86.321   16.651   23.914   6.6466   22.085   8.1644   27.509   11.445   84.654   20.788   87.989   26.016 -3.335808 33.30121 
1 1 1    1   27   48 o   75.707   16.078   19.082   6.0552   18.563   7.6942   19.926   9.8144   76.434   20.927   74.979   24.415 1.454956 32.15633 
1 1 1    1   27   49 f   48.456   15.043   4.0363   6.5632   5.3332   9.3422   2.7724   9.2226   50.103   21.686   46.809   20.853 3.293350 30.08557 
1 1 1    1   27   50 o  101.509   16.833   39.817   8.2963   46.636   10.257   26.916   14.108  126.687   17.324   76.331   28.866 50.35601 33.66563 
1 1 1    1   28    0 o  146.292   17.885   56.260   15.743   56.260   15.743   56.260   15.743  146.292   25.293  146.292   25.293 -0.000000 0.000000 
1 1 1    1   28    1 o  119.458   12.142   33.943   6.4574   32.048   7.9120   37.722   11.175  115.268   14.687  123.649   19.338 -8.380638 24.28325 
1 1 1    1   28    2 o  138.783   10.574   46.549   6.8466   43.399   9.6674   49.719   9.6977  133.918   15.446  143.648   14.445 -9.730194 21.14850 
1 1 1    1   28    3 o  259.849   15.285  169.732   18.332  198.990   25.971  140.676   25.880  283.828   19.579  235.870   23.478 47.95752 30.56996 
1 1 1    1   28    4 o   64.135   11.199   10.471   3.4971   5.9135   5.0152   14.784   4.8790   50.948   17.470   77.322   14.018 -26.37421 22.39885 
1 1 1    1   28    5 o  103.987   10.969   27.093   5.0106   34.737   7.0590   19.332   7.1134  120.530   12.532   87.444   18.006 33.08604 21.93758 
1 1 1    1   28    6 f  132.401   13.794   43.718   7.6998   43.687   9.3284   43.785   13.640  134.560   14.834  130.242   23.262 4.317947 27.58888 
1 1 1    1   28    7 f  254.304   23.002  175.331   26.845  140.748   37.653  211.083   38.285  225.033   35.802  283.574   28.888 -58.54163 46.00345 
1 1 1    1   28    8 o  105.230   14.924   29.891   6.3778   32.164   7.4927   23.914   12.152  115.690   13.858   94.770   26.437 20.92039 29.84873 
1 1 1    1   28    9 o   92.546   10.518   20.648   4.5381   20.360   6.1867   20.983   6.6769   91.943   14.398   93.150   15.337 -1.207428 21.03649 
1 1 1    1   28   10 o  119.811   9.9184   36.216   5.2627   26.991   8.1260   42.880   6.9070  105.363   16.502  134.259   11.008 -28.89539 19.83678 
1 1 1    1   28   11 o  250.870   14.199  160.240   15.976  135.872   25.125  176.779   20.700  232.048   23.168  269.692   16.423 -37.64310 28.39875 
1 1 1    1   28   12 o   36.411   10.004   1.4158   2.5973   4.0333   3.7390  -1.0250   3.6106   43.047   15.066   29.775   13.167 13.27188 20.00895 
1 1 1    1   28   13 o  319.148   24.485  274.346   34.521  297.957   59.779  262.533   42.284  321.596   39.774  316.700   28.569 4.895996 48.97058 
1 1 1    1   28   14 o   85.500   9.5688   17.279   3.7913   19.595   5.8434   15.595   4.9825   90.324   13.843   80.676   13.215 9.648262 19.13761 
1 1 1    1   28   15 o  120.330   9.7479   35.650   5.3004   30.501   8.2486   39.271   6.9176  112.255   15.723  128.405   11.527 -16.15032 19.49589 
1 1 1    1   28   16 o   93.914   13.229   22.553   5.3493   20.575   9.2761   23.538   6.5477   88.931   22.346   98.898   14.166 -9.967262 26.45820 
1 1 1    1   28   17 o  229.632   20.872  155.277   17.013  111.039   33.863  170.213   19.676  194.617   38.594  264.648   15.909 -70.03192 41.74398 
1 1 1    1   28   18 o  155.260   13.029   57.987   9.4540   0.0000   0.0000   57.987   9.4540  ?   ?   155.260   13.029      ?      ? 
1 1 1    1   28   19 o  138.587   13.116   45.953   8.1232   53.731   14.063   42.059   9.9511  146.117   20.594  131.058   16.247 15.05975 26.23112 
1 1 1    1   28   20 o   98.385   14.253   25.391   6.1785   27.280   7.7448   22.084   10.246  105.746   15.671   91.025   23.813 14.72045 28.50693 
1 1 1    1   28   21 o   76.668   11.539   14.349   4.4622   26.545   6.5957   4.0555   6.0595  104.966   13.445   48.371   18.758 56.59498 23.07897 
1 1 1    1   28   22 o  247.223   15.442  154.648   17.819  163.006   25.192  146.281   25.206  254.467   21.183  239.979   22.475 14.48770 30.88420 
1 1 1    1   28   23 o   59.867   14.135   7.8559   4.4545   11.925   7.7759   5.8682   5.4347   68.468   21.678   51.265   18.145 17.20290 28.26970 
1 1 1    1   28   24 o   84.262   12.222   18.147   4.6501   19.488   6.5154   16.755   6.6388   87.795   16.485   80.730   18.049 7.064331 24.44410 
1 1 1    1   28   25 o  113.662   16.678   34.224   8.7356   27.188   12.179   41.681   12.537   99.402   25.940  127.921   20.971 -28.51913 33.35688 
1 1 1    1   28   26 o  201.017   13.328  101.534   12.518   99.003   17.657  104.091   17.750  198.349   19.048  203.686   18.647 -5.336288 26.65550 
1 1 1    1   28   27 o   61.907   14.016   9.6376   4.6419   7.6590   6.5690   11.611   6.5602   56.947   19.968   66.867   19.675 -9.920364 28.03262 
1 1 1    1   28   28 o  278.122   17.639  206.121   22.907  196.584   32.308  215.762   32.483  270.850   25.523  285.393   24.354 -14.54376 35.27829 
1 1 1    1   28   29 o  100.061   16.017   29.841   7.2831   17.176   12.836   35.854   8.8447   79.689   27.914  120.433   15.714 -40.74373 32.03300 
1 1 1    1   28   30 o   80.775   13.945   17.317   5.3106   12.786   7.4485   22.001   7.5736   69.510   21.088   92.041   18.251 -22.53136 27.88937 
1 1 1    1   28   31 o   73.340   14.245   14.328   5.0888   16.939   7.2031   11.726   7.1903   79.920   19.466   66.760   20.804 13.15985 28.49059 
1 1 1    1   28   32 o   70.697   14.411   13.118   5.1592   9.1890   7.1202   17.460   7.4860   60.552   20.813   80.843   19.938 -20.29056 28.82240 
1 1 1    1   28   33 o  147.232   12.554   55.016   8.6074   60.668   12.281   49.559   12.067  155.194   16.932  139.269   18.540 15.92505 25.10842 
1 1 1    1   28   34 o   67.072   20.980   12.042   7.3049   0.0000   0.0000   12.042   7.3049  ?   ?    67.072   20.980      ?      ? 
1 1 1    1   28   35 o  125.715   12.395   40.638   7.2778   39.421   10.342   41.832   10.243  123.603   17.903  127.826   17.147 -4.223274 24.78982 
1 1 1    1   28   36 o   40.093   12.676  -3.2637   5.3858   2.9624   6.2987 -20.1945   10.387   45.378   18.602   34.808   17.224 10.57003 25.35140 
1 1 1    1   28   37 o  129.975   18.938   49.923   11.350   35.387   15.843   65.250   16.268  105.364   30.455  154.587   22.518 -49.22252 37.87560 
1 1 1    1   28   38 f   95.217   15.940   23.690   6.7493   34.466   11.706   18.325   8.2605  109.785   23.524   80.650   21.517 29.13449 31.88046 
1 1 1    1   28   39 o  101.214   16.114   30.315   7.2620   32.184   8.9109   26.618   12.531  110.888   17.195   91.539   27.259 19.34866 32.22879 
1 1 1    1   28   40 o   65.850   16.558   12.399   6.1258   11.713   7.4180   13.872   10.862   63.809   21.248   67.892   25.401 -4.082703 33.11625 
1 1 1    1   28   41 o  222.189   23.223  143.374   24.114   0.0000   0.0000  143.374   24.114  ?   ?   222.189   23.223      ?      ? 
1 1 1    1   28   42 o  139.202   17.681   51.835   11.503   0.0000   0.0000   51.835   11.503  ?   ?   139.202   17.681      ?      ? 
1 1 1    1   28   43 o   41.677   13.267  -2.2628   5.7361  -8.8607   8.1776   4.1279   8.0482   34.814   16.792   48.540   20.545 -13.72514 26.53421 
1 1 1    1   28   44 o   60.883   16.570   11.450   6.6934   9.5123   9.4777   13.378   9.4540   57.566   23.101   64.200   23.761 -6.634171 33.14006 
1 1 1    1   28   45 o   74.054   18.559   20.320   8.0350   19.856   11.080   20.834   11.669   73.585   25.923   74.522   26.565 -0.9366989 37.11766 
1 1 1    1   28   46 o   35.277   16.158  -1.5720   6.0081  -1.5720   6.0081   0.0000   0.0000   35.277   16.158  ?   ?       ?      ? 
1 1 1    1   28   48 o   52.310   13.384   7.4193   5.4906   14.834   6.6815  -8.0012   9.6355   67.566   19.850   37.053   17.958 30.51327 26.76741 
1 1 1    1   29    0 o  522.266   29.551  727.841  100.501  727.841  100.501  727.841  100.501  522.266   41.791  522.266   41.791 -0.000000 0.000000 
1 1 1    1   29    1 o  210.652   14.021  112.375   13.102   73.555   18.451  151.851   18.607  170.933   23.097  250.371   15.902 -79.43863 28.04189 
1 1 1    1   29    2 o  103.124   10.168   25.600   4.8997   25.284   6.9577   25.911   6.9012  102.461   14.530  103.788   14.228 -1.326416 20.33578 
1 1 1    1   29    3 o  377.096   21.917  379.317   38.450  416.148   54.388  342.518   54.364  397.974   29.242  356.217   32.656 41.75650 43.83469 
1 1 1    1   29    4 o  282.959   17.204  204.144   22.531  234.520   31.890  173.871   31.836  305.870   22.309  260.048   26.196 45.82147 34.40767 
1 1 1    1   29    5 o   72.414   11.706   13.232   3.8728   13.510   5.3534   12.926   5.6095   73.325   16.066   71.503   17.030 1.822083 23.41222 
1 1 1    1   29    6 o  206.555   13.327  105.284   12.801  116.512   18.079   93.994   18.129  218.233   17.726  194.877   19.905 23.35605 26.65373 
1 1 1    1   29    7 o  207.063   15.860  108.995   14.391  104.069   24.647  111.544   17.727  200.727   26.273  213.398   17.774 -12.67090 31.72091 
1 1 1    1   29    8 o   48.971   10.204   4.2800   3.6232   11.631   4.4684  -9.8299   6.1908   68.231   14.462   29.711   14.398 38.51998 20.40728 
1 1 1    1   29    9 o   48.605   16.644   5.3921   4.5518   5.3921   4.5518   0.0000   0.0000   48.605   16.644  ?   ?       ?      ? 
1 1 1    1   29   10 o  100.646   10.869   24.761   4.9408   20.210   6.7174   30.124   7.2927   89.621   16.651  111.670   13.974 -22.04926 21.73749 
1 1 1    1   29   11 o   79.873   11.339   15.694   4.1491   11.668   5.6034   20.581   6.1734   67.577   17.576   92.170   14.332 -24.59310 22.67875 
1 1 1    1   29   12 f   97.316   15.293   24.749   6.7818   27.503   9.7696   22.188   9.4218  102.888   21.028   91.744   22.212 11.14382 30.58616 
1 1 1    1   29   13 o  156.510   11.173   60.373   8.0586   49.726   11.472   70.745   11.322  142.097   17.275  170.923   14.174 -28.82639 22.34594 
1 1 1    1   29   14 f  136.234   9.7827   45.097   6.1004   46.319   7.9403   43.336   9.5301  138.985   12.224  133.484   15.277 5.501282 19.56550 
1 1 1    1   29   15 f   47.172   10.704   4.4874   3.2184  -1.7319   4.8970   9.2164   4.2701   33.869   15.134   60.475   15.142 -26.60551 21.40880 
1 1 1    1   29   16 o  112.854   8.9050   31.102   4.5948   37.371   6.3954   24.414   6.6057  125.185   10.931  100.523   14.061 24.66248 17.81005 
1 1 1    1   29   17 o   87.239   10.612   17.603   4.0840   27.609   6.6558   11.561   5.1721  107.035   13.306   67.444   16.536 39.59112 21.22450 
1 1 1    1   29   18 f  112.336   11.187   31.031   5.8341   27.524   8.3407   34.391   8.1636  105.740   16.878  118.931   14.687 -13.19154 22.37363 
1 1 1    1   29   19 o  111.307   11.267   30.341   5.8462   31.179   8.6244   29.629   7.9519  112.571   16.393  110.043   15.462 2.527977 22.53460 
1 1 1    1   29   20 f  143.592   15.184   53.623   9.1919   51.776   16.021   54.530   11.223  138.331   25.728  148.853   16.133 -10.52129 30.36784 
1 1 1    1   29   21 o  232.831   17.722  135.816   18.459  171.342   32.183  118.398   22.534  251.701   27.359  213.960   22.536 37.74129 35.44495 
1 1 1    1   29   22 o   62.471   12.978   9.9147   4.1555   6.8910   5.8740   12.944   5.8794   54.220   18.889   70.721   17.801 -16.50066 25.95549 
1 1 1    1   29   23 o  147.916   11.751   54.521   8.0313   63.760   11.401   45.419   11.316  161.148   15.138  134.683   17.977 26.46503 23.50181 
1 1 1    1   29   24 o   71.325   14.162   14.228   5.2775   6.3071   8.8496   18.599   6.5745   57.514   22.567   85.135   17.117 -27.62136 28.32406 
1 1 1    1   29   25 o   85.189   12.231   18.616   4.7777   14.553   6.7500   22.696   6.7633   74.362   19.267   96.017   15.072 -21.65527 24.46156 
1 1 1    1   29   26 o   53.176   13.257   5.9571   4.3887   1.6511   6.2228   10.218   6.1903   43.528   18.224   62.824   19.258 -19.29572 26.51426 
1 1 1    1   29   27 o  135.769   14.170   45.216   8.6203   39.968   10.556   55.722   14.936  125.741   17.963  145.798   21.920 -20.05634 28.33975 
1 1 1    1   29   28 o   62.543   13.874   10.117   5.6292   16.844   6.7156  -5.7759   10.323   80.068   18.341   45.019   20.821 35.04847 27.74701 
1 1 1    1   29   29 f  199.466   17.238  104.386   15.293  119.705   26.515   96.751   18.720  206.339   27.496  192.592   20.798 13.74681 34.47573 
1 1 1    1   29   30 o   97.138   13.093   24.183   5.7628   13.317   7.6782   38.199   8.7204   70.277   21.431  123.998   15.048 -53.72128 26.18632 
1 1 1    1   29   31 o   46.351   13.158   3.3470   4.4322   5.2408   5.8767   0.8489   6.7496   49.508   18.652   43.195   18.564 6.312428 26.31569 
1 1 1    1   29   32 o  130.194   12.443   43.946   7.4733   51.235   10.558   36.627   10.580  142.211   15.886  118.176   19.156 24.03471 24.88575 
1 1 1    1   29   33 o   84.815   15.366   22.101   6.6466   27.704   8.0742   10.324   11.706  104.149   16.588   65.481   25.871 38.66839 30.73233 
1 1 1    1   29   34 o   74.633   16.125   16.158   6.1131   17.820   7.3495   12.427   11.012   80.863   19.642   68.403   25.579 12.45976 32.25092 
1 1 1    1   29   35 o  102.493   12.965   27.831   6.0667   29.697   8.5578   25.946   8.6015  107.271   17.070   97.715   19.518 9.556831 25.92973 
1 1 1    1   29   36 o  100.156   16.246   30.379   7.3259   24.368   12.695   33.380   8.9702   87.197   27.708  113.115   16.968 -25.91779 32.49131 
1 1 1    1   29   37 o  114.372   14.686   31.721   7.4497   14.653   9.0493   67.613   13.123   69.762   23.470  158.982   17.662 -89.22045 29.37293 
1 1 1    1   29   38 o   69.877   17.704   14.841   7.3381   14.047   10.228   15.682   10.534   68.409   24.811   71.344   25.260 -2.935608 35.40714 
1 1 1    1   29   39 o   55.118   15.107   4.0165   5.7440   15.266   9.7834  -1.9013   7.0958   70.961   24.397   39.275   17.823 31.68595 30.21369 
1 1 1    1   29   40 o   99.674   16.190   33.541   7.6990   20.206   12.862   40.987   9.6109   75.817   27.773  123.532   16.647 -47.71495 32.37996 
1 1 1    1   29   41 o   56.763   22.931   8.8993   9.4054   8.8993   9.4054   0.0000   0.0000   56.763   22.931  ?   ?       ?      ? 
1 1 1    1   29   42 o   96.970   17.052   29.878   7.4689   26.088   9.3226   36.671   12.481   90.802   22.163  103.139   25.922 -12.33678 34.10500 
1 1 1    1   29   43 o   75.126   18.324   21.025   7.8122   22.142   11.174   19.957   10.927   76.942   26.078   73.309   25.750 3.632545 36.64901 
1 1 1    1   29   44 o   60.960   16.739   12.255   7.0408   16.362   9.8260   7.9216   10.094   67.749   24.353   54.170   22.972 13.57884 33.47858 
1 1 1    1   29   45 o   76.212   15.889   17.170   6.0918   10.113   7.4322   31.619   10.634   56.458   21.033   95.966   23.821 -39.50847 31.77807 
1 1 1    1   29   46 o   86.371   17.242   28.796   7.3518   30.185   9.0589   26.116   12.583   96.311   20.739   76.430   27.550 19.88036 34.48322 
1 1 1    1   30    0 o   54.590   15.765   10.011   5.5991   10.011   5.5991   10.011   5.5991   54.590   22.296   54.590   22.296 -0.000000 0.000000 
1 1 1    1   30    1 o  272.595   20.543  193.734   24.840  215.241   43.026  182.983   30.421  278.611   33.044  266.579   24.418 12.03183 41.08677 
1 1 1    1   30    2 o  148.050   11.290   53.776   7.7371   61.604   10.898   45.821   10.986  159.480   14.622  136.619   17.206 22.86134 22.57993 
1 1 1    1   30    3 o  298.889   24.101  246.978   31.568  241.280   38.624  258.442   54.790  302.627   27.309  295.150   39.720 7.477264 48.20249 
1 1 1    1   30    4 o  111.140   11.016   30.487   5.4453   22.764   7.5105   39.046   7.9063   94.924   17.577  127.357   13.283 -32.43320 22.03190 
1 1 1    1   30    5 o  135.486   10.756   44.582   6.8090   43.246   9.5380   45.971   9.7234  133.386   15.300  137.585   15.122 -4.199478 21.51208 
1 1 1    1   30    6 o   65.870   11.001   10.234   3.7237   3.7903   5.0337   18.023   5.5341   45.308   17.216   86.432   13.700 -41.12431 22.00218 
1 1 1    1   30    7 o  156.689   11.401   59.963   8.3459   59.230   11.627   60.742   11.987  155.766   15.972  157.613   16.273 -1.846817 22.80158 
1 1 1    1   30    8 o  189.456   18.812  102.865   14.112  118.045   17.341   73.100   24.283  219.227   16.926  159.684   33.603 59.54298 37.62473 
1 1 1    1   30    9 o  127.664   10.393   39.523   6.1950   37.483   8.5589   41.768   8.9783  124.194   14.746  131.135   14.650 -6.940903 20.78614 
1 1 1    1   30   10 o  218.068   13.654  118.963   13.897  111.404   19.492  126.778   19.820  210.654   19.799  225.482   18.808 -14.82784 27.30808 
1 1 1    1   30   11 o  118.025   10.861   33.993   5.9408   28.512   8.2052   40.033   8.6127  107.711   16.300  128.339   14.359 -20.62792 21.72290 
1 1 1    1   30   12 o   65.786   12.511   11.306   3.9115   12.374   4.9965   9.6171   6.2866   69.800   15.697   61.771   19.485 8.029247 25.02133 
1 1 1    1   30   13 o  145.535   17.587   56.520   11.622   60.932   16.126   51.752   16.764  153.760   22.441  137.309   27.086 16.45073 35.17452 
1 1 1    1   30   14 o   65.977   13.980   10.199   4.0846   9.2822   4.6394   13.359   8.6144   60.343   16.137   71.610   22.832 -11.26658 27.95940 
1 1 1    1   30   15 o  256.984   15.808  178.244   17.806  205.587   23.015  137.476   28.102  287.800   17.111  226.169   26.586 61.63148 31.61679 
1 1 1    1   30   16 o  154.178   9.3614   57.749   6.7307   61.533   9.4728   53.890   9.5653  159.510   12.707  148.847   13.750 10.66335 18.72278 
1 1 1    1   30   17 o   74.488   10.188   14.033   3.4396   18.169   4.8670   9.9068   4.8616   86.812   11.996   62.163   16.470 24.64991 20.37601 
1 1 1    1   30   18 o  199.626   21.120  120.632   16.579  138.083   20.326   85.955   28.653  234.189   18.572  165.064   37.938 69.12520 42.24017 
1 1 1    1   30   19 o  249.705   25.102  192.321   25.318  206.278   30.997  164.350   43.882  279.581   23.723  219.829   44.245 59.75157 50.20342 
1 1 1    1   30   20 o  164.214   12.345   67.794   9.4178   60.187   13.374   75.277   13.265  154.334   18.542  174.093   16.303 -19.75909 24.68967 
1 1 1    1   30   21 o  100.144   12.606   26.780   5.5592   12.378   7.7291   42.217   8.0019   68.567   21.602  131.721   12.999 -63.15345 25.21165 
1 1 1    1   30   22 o  134.653   11.980   46.062   7.3420   34.961   10.419   57.011   10.347  117.102   19.039  152.204   14.546 -35.10283 23.95977 
1 1 1    1   30   23 o   93.928   12.379   22.761   5.2693   27.174   7.4419   18.325   7.4620  104.760   15.200   83.095   19.543 21.66518 24.75798 
1 1 1    1   30   24 o   48.515   12.147   4.2534   3.8954   9.3752   5.4499  -1.0965   5.5700   60.160   17.991   36.870   16.327 23.28987 24.29466 
1 1 1    1   30   25 f   90.985   12.496   21.837   5.1441   28.784   7.2267   14.702   7.3239  108.034   14.313   73.935   20.488 34.09933 24.99248 
1 1 1    1   30   26 o   59.326   13.329   9.0334   4.2915   6.0352   6.2580   11.695   5.8965   52.132   19.324   66.519   18.364 -14.38692 26.65843 
1 1 1    1   30   27 o   72.321   13.455   14.050   4.8487   8.4289   6.8660   19.642   6.8482   58.122   20.412   86.520   17.537 -28.39804 26.91076 
1 1 1    1   30   28 o   81.245   13.247   17.837   5.1552   23.627   7.2176   11.808   7.3656   96.556   15.995   65.935   21.122 30.62125 26.49472 
1 1 1    1   30   29 o   98.399   12.778   25.725   5.6760   30.919   7.9859   20.422   8.0690  110.628   15.446   86.169   20.360 24.45887 25.55588 
1 1 1    1   30   30 o  236.928   16.479  154.827   18.243  157.478   25.768  152.162   25.831  239.380   23.033  234.475   23.572 4.904968 32.95713 
1 1 1    1   30   31 o  202.767   17.365  109.883   15.749  138.526   27.419   95.782   19.239  217.946   26.919  187.588   21.945 30.35838 34.73084 
1 1 1    1   30   32 o   35.205   11.338  -2.4159   4.0923  -2.3656   5.5445  -2.4761   6.0651   34.425   15.673   35.985   16.387 -1.560738 22.67561 
1 1 1    1   30   33 o   77.770   13.182   17.024   5.2212   25.161   7.2512   8.2624   7.5243   98.702   15.720   56.838   21.166 41.86342 26.36456 
1 1 1    1   30   34 o  221.379   23.764  167.027   22.552  194.769   39.174  153.275   27.580  220.936   39.383  221.822   26.604 -0.8863220 47.52708 
1 1 1    1   30   35 o  208.073   19.151  127.063   17.821  164.093   31.062  108.894   21.758  224.258   29.637  191.889   24.262 32.36852 38.30140 
1 1 1    1   30   36 o   94.842   16.474   26.992   6.9713   26.763   12.201   27.103   8.4943   90.851   26.861   98.833   19.081 -7.982292 32.94876 
1 1 1    1   30   37 o  182.430   26.379  144.531   23.207  203.297   33.055   87.404   32.590  245.036   28.864  119.824   44.161 125.2124 52.75716 
1 1 1    1   30   39 o   79.027   15.944   21.672   6.5915   25.761   8.1947   14.179   11.094   93.371   19.412   64.682   25.299 28.68867 31.88835 
1 1 1    1   30   40 o   76.430   16.676   20.218   6.4709   20.718   7.7816   19.095   11.651   81.744   20.427   71.116   26.366 10.62803 33.35288 
1 1 1    1   30   41 o  119.996   13.763   42.807   7.3481   32.906   10.184   53.558   10.612  101.354   22.122  138.639   16.379 -37.28534 27.52529 
1 1 1    1   30   42 o   56.637   13.963   9.8156   5.6712   16.011   6.8269  -3.9797   10.187   71.566   19.761   41.707   19.732 29.85962 27.92565 
1 1 1    1   30   43 o   51.365   14.609   7.8742   5.6086   10.344   6.8570   2.8820   9.7486   56.354   20.333   46.375   20.983 9.978706 29.21872 
1 1 1    1   30   44 o   62.884   24.481   15.829   10.352   15.829   10.352   0.0000   0.0000   62.884   24.481  ?   ?       ?      ? 
1 1 1    1   31    0 o  168.321   11.657   69.934   12.683   69.934   12.683   69.934   12.683  168.321   16.486  168.321   16.486 -0.000000 0.000000 
1 1 1    1   31    1 o   56.904   12.713   8.0811   3.8067   6.9610   5.4461   9.1512   5.3229   53.877   18.207   59.932   17.748 -6.054428 25.42571 
1 1 1    1   31    2 o  101.613   11.214   25.432   5.3233   25.334   7.6235   25.526   7.4364  101.343   16.096  101.882   15.618 -0.5391617 22.42778 
1 1 1    1   31    3 o  108.286   14.082   32.604   6.5022   39.021   8.2522   22.098   10.560  126.598   13.948   89.974   24.467 36.62473 28.16341 
1 1 1    1   31    4 o  143.918   11.207   51.799   7.3458   64.062   10.343   39.320   10.434  162.344   13.632  125.493   17.791 36.85102 22.41378 
1 1 1    1   31    5 o  109.823   10.328   29.511   5.2912   29.882   7.2989   29.099   7.6814  110.716   14.106  108.929   15.089 1.786629 20.65552 
1 1 1    1   31    6 o  128.608   10.824   40.479   6.4434   33.474   8.8389   48.423   9.4127  116.377   16.251  140.840   14.300 -24.46353 21.64740 
1 1 1    1   31    7 o  216.252   13.814  118.459   13.960  118.806   19.644  118.104   19.843  216.691   19.398  215.813   19.674 0.8779144 27.62865 
1 1 1    1   31    8 o  235.551   19.494  151.555   20.000  152.415   24.510  149.841   34.601  243.151   21.568  227.950   32.479 15.20105 38.98816 
1 1 1    1   31    9 o  173.814   12.374   75.502   10.041   77.974   14.069   72.935   14.335  177.027   17.005  170.601   17.979 6.425980 24.74766 
1 1 1    1   31   10 o   84.680   11.931   17.970   4.5112   15.668   5.8799   21.264   7.0336   78.184   16.605   91.177   17.136 -12.99268 23.86104 
1 1 1    1   31   11 o  148.911   15.140   59.576   9.4565   51.543   16.001   63.889   11.723  136.898   25.959  160.923   15.587 -24.02446 30.27954 
1 1 1    1   31   12 o  138.727   11.770   48.555   7.4422   37.148   10.573   59.758   10.478  121.252   18.658  156.203   14.353 -34.95123 23.53952 
1 1 1    1   31   13 f  137.352   14.753   49.565   8.7257   47.158   14.570   50.912   10.896  131.544   24.604  143.160   16.285 -11.61510 29.50564 
1 1 1    1   31   14 o  131.158   11.427   42.819   6.9354   35.755   9.6729   50.293   9.9493  119.414   17.332  142.901   14.898 -23.48727 22.85487 
1 1 1    1   31   15 o   55.749   13.733   4.7638   3.8855   2.2916   4.3825   13.846   8.3999   39.516   15.760   71.982   22.495 -32.46642 27.46652 
1 1 1    1   31   16 o  145.815   11.616   56.138   7.3329   65.034   9.3571   41.980   11.805  163.759   12.226  127.871   19.754 35.88763 23.23130 
1 1 1    1   31   17 o   67.431   13.158   11.957   4.3304   14.105   6.1036   9.7806   6.1448   73.352   17.951   61.509   19.243 11.84331 26.31556 
1 1 1    1   31   18 o   48.598   12.644   5.1255   3.7864   4.3192   5.6239   5.7941   5.1208   47.252   18.139   49.945   17.620 -2.692921 25.28845 
1 1 1    1   31   19 o  144.893   17.068   65.015   8.9300   42.001   17.717   72.854   10.340  116.961   31.644  172.825   12.801 -55.86445 34.13552 
1 1 1    1   31   20 o  107.646   14.282   39.853   7.6611   2.6179   12.929   60.000   9.5105   58.613   25.441  156.680   12.988 -98.06749 28.56419 
1 1 1    1   31   21 o   39.965   11.497   2.0922   3.3255   1.8239   5.2531   2.2716   4.2959   40.884   16.899   39.045   15.594 1.838768 22.99418 
1 1 1    1   31   22 o  148.797   10.183   53.580   6.9708   62.928   11.120   47.529   8.9470  158.868   14.977  138.727   13.800 20.14104 20.36515 
1 1 1    1   31   23 o   48.375   12.796   4.8471   4.0245   7.2255   5.5601   2.2298   5.8327   53.759   18.395   42.991   17.791 10.76835 25.59108 
1 1 1    1   31   24 o   75.321   13.340   15.357   4.6905   16.481   6.7066   14.280   6.5623   78.157   18.625   72.484   19.103 5.672668 26.67981 
1 1 1    1   31   25 o   87.839   12.548   20.473   4.9735   19.735   7.0433   21.207   7.0239   86.023   18.093   89.656   17.391 -3.632881 25.09571 
1 1 1    1   31   26 o   36.675   11.208  -0.3824   3.6031  -2.7595   4.9825   2.2232   5.2166   32.059   14.695   41.292   16.928 -9.232414 22.41669 
1 1 1    1   31   27 o   61.948   15.325   10.163   5.3170   8.2155   9.7513   10.987   6.3428   60.141   23.659   63.754   19.486 -3.613071 30.65069 
1 1 1    1   31   28 o   35.329   11.162  -1.9190   3.8455   1.0613   5.5924  -4.5920   5.2963   39.891   17.014   30.768   14.454 9.122900 22.32477 
1 1 1    1   31   29 o   51.237   13.032   6.1458   4.1640   2.8879   5.9038   9.3709   5.8740   43.750   17.981   58.723   18.868 -14.97210 26.06349 
1 1 1    1   31   30 o   95.357   17.562   28.269   7.9066   28.970   10.986   27.516   11.388   97.251   24.254   93.463   25.406 3.787544 35.12370 
1 1 1    1   31   31 o   39.857   12.235   0.4975   4.3258  -3.2183   6.9840   2.8104   5.5099   37.333   17.217   42.381   17.389 -5.047878 24.47017 
1 1 1    1   31   32 o   66.251   16.341   12.224   6.3704   7.9849   8.6449   17.261   9.4235   57.090   22.331   75.411   23.863 -18.32114 32.68231 
1 1 1    1   31   33 o   58.599   15.793   9.1992   6.0000   9.6199   8.1426   8.6994   8.8753   59.220   22.025   57.977   22.641 1.242744 31.58665 
1 1 1    1   31   34 o   66.131   16.387   13.448   6.3182   10.356   8.5890   17.095   9.3272   59.570   22.524   72.691   23.808 -13.12165 32.77427 
1 1 1    1   31   35 o   56.104   14.715   9.2552   5.2590   11.160   6.2561   4.6682   9.7095   61.230   19.451   50.977   22.086 10.25349 29.43020 
1 1 1    1   31   36 o  145.215   19.096   72.112   11.698   72.443   14.316   71.447   20.290  157.766   19.417  132.664   32.889 25.10126 38.19294 
1 1 1    1   31   37 o   64.202   15.916   13.935   5.9739   15.270   7.1885   10.957   10.741   69.485   20.635   58.919   24.238 10.56589 31.83245 
1 1 1    1   31   38 f   60.365   20.376   11.467   6.8212   11.467   6.8212   0.0000   0.0000   60.365   20.376  ?   ?       ?      ? 
1 1 1    1   31   39 o   72.226   16.566   17.323   6.1495   14.920   7.5791   21.954   10.520   67.408   21.408   77.044   25.287 -9.636566 33.13258 
1 1 1    1   31   40 o   59.388   15.118   12.339   5.8486   15.639   7.1598   5.7211   10.139   68.733   20.636   50.043   22.101 18.69025 30.23695 
1 1 1    1   31   41 o   36.935   12.349  -4.0678   5.6990   0.0013   8.0849  -8.0864   8.0345   40.486   18.617   33.384   16.230 7.101280 24.69841 
1 1 1    1   32    0 o   33.480   13.760   3.4800   5.0045   3.4800   5.0045   3.4800   5.0045   33.480   19.459   33.480   19.459 -0.000000 0.000000 
1 1 1    1   32    1 o   53.495   13.454   6.7131   4.5386  -1.3474   8.7174   9.7105   5.3159   45.751   20.334   61.239   17.624 -15.48782 26.90897 
1 1 1    1   32    2 o   81.719   11.917   17.739   4.5193   9.6832   6.4786   25.374   6.3073   61.460   19.822  101.979   13.234 -40.51831 23.83391 
1 1 1    1   32    3 o   86.383   14.430   20.890   5.6922   23.716   6.9563   15.165   9.9024   97.923   15.200   74.844   24.532 23.07849 28.85935 
1 1 1    1   32    4 o  177.337   12.507   79.997   10.136   98.830   14.427   61.640   14.244  199.687   15.459  154.986   19.665 44.70050 25.01377 
1 1 1    1   32    5 o  170.728   12.061   73.196   9.6140   76.913   13.621   69.506   13.572  175.347   16.621  166.109   17.482 9.237778 24.12259 
1 1 1    1   32    6 o   72.818   13.169   7.4866   4.7108   0.6564   5.3785   29.985   9.7616   39.198   16.701  106.438   20.366 -67.23997 26.33774 
1 1 1    1   32    7 o  147.891   12.844   47.543   8.1004   37.138   9.3913   77.779   16.009  121.856   16.491  173.927   19.695 -52.07129 25.68713 
1 1 1    1   32    8 o  340.533   29.571  377.649   44.659  340.345   54.627  452.825   77.547  331.730   35.236  349.336   47.499 -17.60611 59.14120 
1 1 1    1   32    9 o  178.749   15.278   78.776   12.145   68.231   14.710  101.350   21.524  163.081   19.300  194.417   23.689 -31.33553 30.55577 
1 1 1    1   32   10 f  165.090   15.024   68.473   10.810   63.576   12.960   79.663   19.593  158.638   17.481  171.542   24.440 -12.90404 30.04796 
1 1 1    1   32   11 o  104.091   15.920   27.040   7.7444   27.040   7.7444   0.0000   0.0000  104.091   15.920  ?   ?       ?      ? 
1 1 1    1   32   12 o  167.692   20.217   80.956   15.293   93.735   21.659   68.250   21.596  185.184   25.026  150.201   31.758 34.98280 40.43333 
1 1 1    1   32   13 o   57.641   13.780   8.4393   4.0122   5.2393   9.1982   9.1912   4.4587   55.652   22.608   59.630   15.761 -3.978134 27.55948 
1 1 1    1   32   14 o   88.960   14.434   24.261   5.3802   13.789   11.302   27.330   6.1178   72.034   26.088  105.886   12.363 -33.85262 28.86882 
1 1 1    1   32   15 o  257.884   26.660  217.169   28.378  210.489   49.179  220.503   34.746  236.126   46.220  279.643   26.586 -43.51750 53.32084 
1 1 1    1   32   16 o   51.627   12.163   5.6886   3.6091   10.552   5.6314   2.2989   4.7016   63.096   18.134   40.157   16.216 22.93937 24.32683 
1 1 1    1   32   17 o   96.652   11.954   24.172   5.2664   21.980   7.4258   26.391   7.4699   91.034   18.092  102.271   15.629 -11.23723 23.90738 
1 1 1    1   32   18 o   56.806   13.796   8.0077   3.9029   8.1600   4.3546   7.3855   8.8000   55.891   15.909   57.721   22.544 -1.830631 27.59173 
1 1 1    1   32   19 o   97.487   10.930   22.897   4.6357   14.460   5.9072   36.423   7.4793   73.659   17.431  121.314   13.192 -47.65519 21.86034 
1 1 1    1   32   20 o   64.842   12.148   10.327   3.7718   6.8524   4.7908   15.992   6.1174   52.006   17.064   77.679   17.295 -25.67320 24.29622 
1 1 1    1   32   21 o  165.665   12.204   73.547   8.8832   57.037   14.000   84.674   11.493  146.346   20.469  184.984   13.295 -38.63853 24.40725 
1 1 1    1   32   22 o   44.206   12.049   3.8646   3.5137   2.7845   5.5427   4.5902   4.5433   43.188   17.548   45.224   16.515 -2.036255 24.09725 
1 1 1    1   32   23 o  121.557   10.126   36.293   5.6672   42.174   9.0074   32.440   7.2912  129.154   14.923  113.959   13.690 15.19582 20.25121 
1 1 1    1   32   24 o  129.905   15.336   46.418   8.4924   49.269   14.827   45.025   10.360  128.291   25.626  131.518   16.856 -3.226822 30.67211 
1 1 1    1   32   25 o  102.564   14.388   27.471   6.3391   37.698   11.265   22.732   7.6685  114.456   21.857   90.673   18.717 23.78293 28.77563 
1 1 1    1   32   26 o   47.692   13.806   2.2479   5.3485   8.9650   7.6218  -4.2687   7.5072   57.771   21.344   37.613   17.519 20.15807 27.61275 
1 1 1    1   32   27 o   48.758   13.593   2.6860   4.4571   10.822   8.0670  -0.8890   5.3475   61.998   22.089   35.518   15.847 26.48009 27.18563 
1 1 1    1   32   28 o   98.961   25.849   30.666   12.086   30.666   12.086   0.0000   0.0000   98.961   25.849  ?   ?       ?      ? 
1 1 1    1   32   29 o   57.349   15.323   7.1986   6.1595   0.0008   8.6081   14.751   8.8173   44.912   20.067   69.787   23.162 -24.87568 30.64584 
1 1 1    1   32   30 o   35.697   11.868  -4.6749   4.9225  -5.6106   6.3306  -3.2440   7.8286   32.458   15.414   38.936   18.051 -6.477470 23.73683 
1 1 1    1   32   31 o  122.485   16.781   46.646   8.7772   45.613   10.687   48.789   15.386  127.811   17.891  117.160   28.396 10.65055 33.56199 
1 1 1    1   32   32 o   46.523   13.959   1.8187   4.8798  -1.3752   5.7683   9.8570   9.1512   35.242   16.022   57.804   22.862 -22.56243 27.91791 
1 1 1    1   32   33 o   90.496   18.766   29.779   8.4545   30.120   11.777   29.417   12.145   91.686   26.184   89.307   26.891 2.378799 37.53286 
1 1 1    1   32   34 o   69.670   15.769   15.124   5.5949   12.186   6.8982   20.772   9.5646   62.121   20.481   77.219   23.983 -15.09784 31.53793 
1 1 1    1   32   35 o   48.082   14.688   4.4428   6.0399   3.9708   8.6669   4.8885   8.4219   47.603   20.745   48.561   20.799 -0.9576912 29.37594 
1 1 1    1   32   36 o   62.427   15.267   13.176   5.4611   14.295   6.5071   10.511   10.043   67.582   19.513   57.272   23.485 10.31041 30.53387 
1 1 1    1   32   37 o   44.649   14.135   2.6739   6.0717   2.5314   8.6509   2.8123   8.5238   44.566   20.000   44.733   19.979 -0.1669769 28.26925 
1 1 1    1   32   38 o   65.210   15.707   13.939   7.1962   28.149   10.124  -0.5722   10.231   87.280   24.050   43.140   20.210 44.14041 31.41367 
1 1 1    1   33    0 o  141.705   19.878   56.600   16.540   56.600   16.540   56.600   16.540  141.705   28.111  141.705   28.111 -0.000000 0.000000 
1 1 1    1   33    1 o   92.806   17.409   24.790   7.7120   22.164   11.027   27.305   10.790   87.363   25.453   98.250   23.759 -10.88636 34.81853 
1 1 1    1   33    2 o  101.835   24.801   29.741   11.694   0.0000   0.0000   29.741   11.694  ?   ?   101.835   24.801      ?      ? 
1 1 1    1   33    3 o   88.831   16.990   22.445   7.3274   27.516   10.572   17.759   10.165   98.879   23.266   78.782   24.766 20.09697 33.98032 
1 1 1    1   33    4 o  210.078   25.616  146.193   23.774  107.739   33.433  185.528   33.814  169.555   42.323  250.602   28.871 -81.04686 51.23296 
1 1 1    1   33    5 o  119.987   17.876   41.620   9.9246   52.463   14.033   30.769   14.038  139.823   21.475  100.151   28.583 39.67132 35.75146 
1 1 1    1   33    6 o  150.676   16.194   57.606   11.404   0.0000   0.0000   57.606   11.404  ?   ?   150.676   16.194      ?      ? 
1 1 1    1   33    7 o  200.618   32.158  126.340   30.151   0.0000   0.0000  126.340   30.151  ?   ?   200.618   32.158      ?      ? 
1 1 1    1   33    8 o   54.883   18.563   7.6641   5.6613   0.0000   0.0000   7.6641   5.6613  ?   ?    54.883   18.563      ?      ? 
1 1 1    1   33    9 o  180.488   18.980   85.431   16.010   0.0000   0.0000   85.431   16.010  ?   ?   180.488   18.980      ?      ? 
1 1 1    1   33   10 o   54.318   22.454   4.8759   9.2760   0.0000   0.0000   4.8759   9.2760  ?   ?    54.318   22.454      ?      ? 
1 1 1    1   33   11 o   72.400   24.215   14.830   9.6323   0.0000   0.0000   14.830   9.6323  ?   ?    72.400   24.215      ?      ? 
1 1 1    1   33   12 o  135.382   27.292   54.280   16.672   0.0000   0.0000   54.280   16.672  ?   ?   135.382   27.292      ?      ? 
1 1 1    1   33   13 o   78.262   13.553   17.686   5.5358   6.8041   8.6787   25.150   7.1880   56.635   22.307   99.889   15.397 -43.25367 27.10534 
1 1 1    1   33   14 o   92.096   13.966   23.256   5.8609   19.934   9.0769   25.631   7.6754   83.864   22.634  100.328   16.370 -16.46482 27.93287 
1 1 1    1   33   15 o  133.758   16.885   53.567   9.3579   40.414   15.928   60.499   11.564  113.290   29.716  154.227   16.044 -40.93643 33.77009 
1 1 1    1   33   16 o   94.243   13.969   30.610   5.9303   9.1776   11.365   38.630   6.9519   63.041   25.297  125.446   11.858 -62.40576 27.93856 
1 1 1    1   33   17 o   81.325   11.662   17.159   4.2438   20.185   6.5800   15.004   5.5531   87.364   16.725   75.286   16.258 12.07864 23.32489 
1 1 1    1   33   18 o   96.877   12.260   24.928   5.3455   18.915   7.3993   31.492   7.7309   82.515   19.497  111.238   14.871 -28.72374 24.52067 
1 1 1    1   33   19 f  202.682   12.890  108.936   11.987  115.261   18.971  104.731   15.467  205.267   19.775  200.098   16.539 5.168564 25.77982 
1 1 1    1   33   20 o  118.617   26.327   44.227   14.214   44.227   14.214   0.0000   0.0000  118.617   26.327  ?   ?       ?      ? 
1 1 1    1   33   21 f   44.488   16.927   4.3774   4.8703   4.3774   4.8703   0.0000   0.0000   44.488   16.927  ?   ?       ?      ? 
1 1 1    1   33   22 o  157.542   20.768   80.732   14.954   86.611   21.253   74.967   21.044  166.490   27.315  148.594   31.292 17.89587 41.53669 
1 1 1    1   33   23 o   95.209   17.927   28.385   8.1718   25.363   11.928   31.058   11.218   88.853   26.626  101.565   24.012 -12.71243 35.85406 
1 1 1    1   33   24 o  133.649   19.878   58.646   12.258   45.916   17.649   70.510   17.038  112.541   32.025  154.756   23.558 -42.21468 39.75623 
1 1 1    1   33   25 o   59.916   14.373   9.9475   4.7043   8.2521   5.9861   12.686   7.6072   54.743   19.069   65.090   21.510 -10.34708 28.74517 
1 1 1    1   33   26 o   88.809   14.942   26.540   6.3978   31.875   7.8012   15.582   11.181  109.550   15.237   68.068   25.708 41.48151 29.88466 
1 1 1    1   33   27 o   53.523   14.644   7.7910   5.0806   8.3325   6.1333   6.6072   9.0690   54.145   19.264   52.903   22.062 1.242004 29.28893 
1 1 1    1   33   28 o   72.012   15.653   16.242   5.3783   15.805   6.2015   17.570   10.803   73.563   18.150   70.462   25.507 3.101662 31.30521 
1 1 1    1   33   29 o   51.379   11.599   7.1958   4.2588   13.117   5.0469  -7.4473   7.9368   68.064   16.115   34.694   16.686 33.36937 23.19740 
1 1 1    1   33   30 o   61.288   14.320   10.037   4.7093   5.9138   5.7435   18.497   8.2268   47.544   18.311   75.032   22.021 -27.48816 28.63925 
1 1 1    1   33   31 o   82.166   17.204   24.164   7.5957   15.664   10.833   32.386   10.654   65.657   25.182   98.675   23.448 -33.01835 34.40844 
1 1 1    1   33   32 f  104.304   15.591   31.704   6.9348   25.523   8.2789   46.241   12.696   90.990   20.013  117.618   23.911 -26.62766 31.18123 
1 1 1    1   33   33 o   85.116   19.019   28.966   8.4495   28.182   11.451   29.903   12.518   85.082   26.212   85.150   27.564 -0.6803131E-01 38.03715 
1 1 1    1   34    0 o   51.257   20.295   10.290   10.325   10.290   10.325   10.290   10.325   51.257   28.701   51.257   28.701 -0.000000 0.000000 
1 1 1    1   34    1 o   99.721   16.084   26.351   7.7048   15.441   9.8942   43.159   12.281   73.084   24.541  126.359   20.796 -53.27452 32.16747 
1 1 1    1   34    2 f  170.075   20.171   87.406   15.605   77.208   21.458   98.854   22.735  156.597   30.416  183.552   26.503 -26.95468 40.34249 
1 1 1    1   34    3 o   86.881   18.458   23.116   8.2808   27.339   11.345   18.300   12.115   95.928   25.038   77.834   27.127 18.09348 36.91519 
1 1 1    1   34    4 o   67.170   15.741   10.524   5.1941   18.634   10.366   7.8053   6.0020   79.151   25.026   55.190   19.101 23.96141 31.48252 
1 1 1    1   34    5 o  122.101   15.985   38.873   8.2712   52.925   15.093   32.842   9.8883  134.700   24.891  109.502   20.062 25.19809 31.96951 
1 1 1    1   34    6 o  160.316   17.097   66.782   12.809   0.0000   0.0000   66.782   12.809  ?   ?   160.316   17.097      ?      ? 
1 1 1    1   34    7 o  100.266   15.799   31.925   7.2983   38.956   8.9988   18.411   12.476  123.344   15.611   77.188   27.473 46.15562 31.59877 
1 1 1    1   34    8 o  115.962   12.165   35.187   6.5816   32.785   9.2440   37.656   9.3731  111.564   17.729  120.360   16.663 -8.796082 24.33087 
1 1 1    1   34    9 o   50.101   12.899   5.8627   4.0501   3.1624   5.7938   8.4434   5.6639   44.017   17.919   56.185   18.560 -12.16862 25.79838 
1 1 1    1   34   10 o  141.453   12.810   53.838   8.3607   61.073   11.655   46.167   12.001  153.017   16.297  129.889   19.770 23.12804 25.62091 
1 1 1    1   34   11 o   80.357   13.423   18.127   4.9938   15.087   7.0070   21.265   7.1190   72.619   20.007   88.096   17.901 -15.47680 26.84652 
1 1 1    1   34   12 o   63.843   13.151   11.263   4.5427   16.911   6.3778   5.4457   6.4721   78.232   17.840   49.454   19.328 28.77763 26.30268 
1 1 1    1   34   13 o   93.197   13.006   24.019   5.5264   30.481   7.9023   17.834   7.7314  108.140   15.636   78.255   20.788 29.88475 26.01191 
1 1 1    1   34   14 o  148.860   13.896   61.969   8.9420   42.939   12.564   81.506   12.730  120.465   23.157  177.256   15.367 -56.79060 27.79161 
1 1 1    1   34   15 o  193.357   14.281  103.421   12.904  102.766   18.294  104.069   18.205  192.549   20.330  194.165   20.062 -1.616211 28.56205 
1 1 1    1   34   16 f   50.095   12.639   5.4815   3.9970   1.5165   5.4699   10.024   5.8549   39.957   16.926   60.233   18.773 -20.27639 25.27719 
1 1 1    1   34   17 o   74.690   12.132   15.086   4.5581   6.8790   6.3117   24.032   6.5894   52.486   19.417   96.894   14.551 -44.40811 24.26433 
1 1 1    1   34   18 o   60.367   12.915   11.228   4.2322   13.714   4.8040   2.6108   8.9441   71.903   14.790   48.830   21.177 23.07383 25.83013 
1 1 1    1   34   19 o   54.928   12.103   8.0763   3.5218   5.6241   4.7777   10.994   5.2118   47.190   16.980   62.667   17.250 -15.47642 24.20506 
1 1 1    1   34   20 o   45.691   13.021   4.1791   3.8942   3.8148   4.5394   5.1945   7.5781   41.898   16.239   49.485   20.359 -7.587128 26.04181 
1 1 1    1   34   21 o   78.584   11.985   16.894   4.2131   14.635   5.4211   20.340   6.6951   72.361   16.408   84.806   17.474 -12.44512 23.96980 
1 1 1    1   34   22 o   82.308   12.004   20.017   4.3987   23.402   5.6223   14.676   7.0626   95.441   12.605   69.175   20.432 26.26619 24.00741 
1 1 1    1   34   23 o   44.356   12.727   3.6816   3.5069   3.0107   3.9535   6.1575   7.5952   38.338   15.070   50.373   20.513 -12.03558 25.45352 
1 1 1    1   34   24 o   84.704   15.598   21.979   5.8881   20.007   7.0681   26.452   10.643   82.097   18.824   87.311   24.878 -5.213913 31.19689 
1 1 1    1   34   25 o   55.200   12.637   9.0418   4.7312   14.814   5.7446  -3.1283   8.3416   71.209   17.408   39.190   18.324 32.01929 25.27460 
1 1 1    1   34   26 f  112.626   19.545   47.216   10.325   54.231   14.625   40.246   14.578  124.909   25.902  100.343   29.275 24.56551 39.08908 
1 1 1    1   34   27 o   70.513   23.379   17.222   8.9843   0.0000   0.0000   17.222   8.9843  ?   ?    70.513   23.379      ?      ? 
1 1 1    1   34   28 o   67.720   23.290   16.123   8.9159   0.0000   0.0000   16.123   8.9159  ?   ?    67.720   23.290      ?      ? 
1 1 1    1   34   29 o   44.433   12.881   4.4044   4.4787   7.1027   5.8298   0.5185   6.9962   49.308   18.577   39.558   17.848 9.750412 25.76190 
1 1 1    1   34   30 o   84.656   15.521   24.727   6.1462   24.477   9.6985   24.895   7.9453   81.075   23.942   88.237   19.759 -7.161598 31.04253 
1 1 1    1   35    0 o   56.944   16.496   11.485   6.1244   11.485   6.1244   11.485   6.1244   56.944   23.329   56.944   23.329 -0.000000 0.000000 
1 1 1    1   35    1 o   85.943   13.127   20.504   5.1211   22.347   7.1390   18.550   7.3502   90.808   17.456   81.079   19.612 9.728821 26.25499 
1 1 1    1   35    2 o  183.044   13.887   91.722   11.860   85.773   16.662   97.832   16.885  176.204   20.234  189.885   19.027 -13.68092 27.77470 
1 1 1    1   35    3 o   63.531   13.619   10.808   4.8095   17.201   6.9076   4.7922   6.7005   78.351   19.049   48.712   19.468 29.63869 27.23738 
1 1 1    1   35    4 o   77.573   15.683   18.453   5.9578   20.168   7.2091   14.760   10.582   85.303   18.607   69.843   25.250 15.46053 31.36531 
1 1 1    1   35    5 o   74.016   14.733   12.568   5.1554   7.1849   6.0610   26.654   9.8047   52.931   19.114   95.101   22.425 -42.17031 29.46548 
1 1 1    1   35    6 o   47.249   13.453   4.3848   4.5244   5.9809   5.3772   0.5149   8.3726   49.263   17.971   45.234   20.025 4.028599 26.90602 
1 1 1    1   35    7 o   87.314   14.775   24.805   6.2219   30.087   7.5058   13.203   11.124  107.947   14.878   66.682   25.532 41.26519 29.55071 
1 1 1    1   35    8 o  108.349   15.588   32.543   7.2952   27.841   8.8964   42.194   12.746   98.869   19.942  117.828   23.963 -18.95953 31.17534 
1 1 1    1   35    9 o   56.554   14.827   7.9340   4.9560   5.9750   6.0337   11.997   8.6890   49.569   18.846   63.539   22.894 -13.97018 29.65338 
1 1 1    1   35   10 o   48.761   13.380   5.4056   4.6802   8.4526   5.6853  -1.0003   8.2435   55.099   18.603   42.423   19.236 12.67567 26.75955 
1 1 1    1   35   11 o  148.881   20.025   80.987   12.348   92.492   15.109   57.842   21.430  183.497   17.618  114.266   35.967 69.23054 40.04988 
1 1 1    1   35   12 f   34.887   11.415  -2.2682   4.1596  -0.7484   4.9131  -6.1149   7.8161   33.784   15.123   35.991   17.102 -2.207386 22.82925 
1 1 1    1   35   13 o   52.083   14.151   7.1970   4.6923   7.8190   5.5799   5.6948   8.6710   52.879   18.411   51.286   21.495 1.592728 28.30181 
1 1 1    1   35   14 o   86.370   15.791   24.090   6.2327   24.978   7.4944   22.096   11.224   93.850   17.737   78.891   26.130 14.95889 31.58113 
1 1 1    1   35   15 o   83.660   15.774   20.450   5.9556   16.658   7.1789   28.819   10.666   73.937   20.202   93.383   24.231 -19.44617 31.54738 
1 1 1    1   35   16 o   39.144   11.956   1.6406   3.8827  -3.6762   7.9186   3.3235   4.4549   38.119   17.833   40.168   15.931 -2.048687 23.91274 
1 1 1    1   35   17 o   42.940   12.317   3.5992   3.8409   5.2811   5.8370   2.3148   5.1008   46.594   18.313   39.285   16.477 7.309616 24.63416 
1 1 1    1   35   18 o   42.043   12.206   3.3511   3.8299   4.4135   5.7142   2.4845   5.1606   44.466   17.905   39.621   16.593 4.844437 24.41122 
1 1 1    1   35   19 o   71.483   14.109   15.909   4.8921   15.676   7.1277   16.117   6.7267   70.486   20.443   72.480   19.452 -1.994202 28.21878 
1 1 1    1   35   20 o   57.687   13.508   10.126   4.2386   9.9249   6.2751   10.295   5.7480   57.008   19.542   58.365   18.655 -1.357582 27.01680 
1 1 1    1   35   21 o   35.073   10.424  -1.4550   3.0692   5.8811   5.1811  -5.4211   3.8095   46.933   17.546   23.213   11.260 23.72056 20.84847 
1 1 1    1   35   22 o   47.881   11.847   6.0980   3.2800   8.4344   5.0487   4.3918   4.3146   53.597   17.514   42.166   15.959 11.43101 23.69477 
1 1 1    1   35   23 o   99.044   11.174   27.300   4.9102   28.242   7.8799   26.702   6.2780   97.920   17.878  100.167   13.411 -2.246437 22.34863 
1 1 1    1   35   24 o   69.892   11.903   14.671   4.2971   22.340   6.1272   7.2486   6.0280   90.143   14.544   49.641   18.846 40.50213 23.80525 
1 1 1    1   35   25 o   49.250   13.096   6.6613   3.7238   9.3206   7.2631   5.7130   4.3372   53.522   20.598   44.978   16.179 8.544041 26.19174 
1 1 1    1   36    0 o   70.156   16.008   16.111   6.5565   16.111   6.5565   16.111   6.5565   70.156   22.639   70.156   22.639 -0.000000 0.000000 
1 1 1    1   36    1 o  110.763   16.418   42.642   7.9778   49.067   9.8059   30.062   13.720  134.475   15.603   87.051   28.893 47.42391 32.83683 
1 1 1    1   36    2 o   62.470   13.151   11.693   4.3072   15.155   5.9894   7.9843   6.1986   72.037   17.875   52.903   19.295 19.13348 26.30268 
1 1 1    1   36    3 o   88.849   12.307   23.605   5.1227   37.091   7.2822   10.394   7.2075  119.394   13.051   58.305   20.868 61.08904 24.61305 
1 1 1    1   36    4 o   61.152   18.212   11.075   5.5933   0.0000   0.0000   11.075   5.5933  ?   ?    61.152   18.212      ?      ? 
1 1 1    1   36    5 o   81.615   15.680   21.224   5.6709   22.362   11.479   20.857   6.5224   77.485   26.432   85.744   16.877 -8.259613 31.36065 
1 1 1    1   36    6 o   58.775   23.929   10.752   10.333   10.752   10.333   0.0000   0.0000   58.775   23.929  ?   ?       ?      ? 
1 1 1    1   36    7 o   48.203   12.404   6.2870   3.6560   7.5018   5.1163   5.0194   5.2263   51.297   17.642   45.110   17.441 6.186886 24.80804 
1 1 1    1   36    8 o   65.048   13.680   13.726   4.8249   7.8928   7.8942   17.204   6.0961   53.063   21.156   77.033   17.350 -23.97063 27.36045 
1 1 1    1   36    9 o  153.946   21.411   93.749   13.892   79.893   24.073  100.666   17.010  124.254   37.959  183.639   19.820 -59.38453 42.82182 
1 1 1    1   36   10 o   96.033   12.769   26.704   5.5953   30.429   8.0759   23.264   7.7596  104.382   16.555   87.684   19.445 16.69894 25.53761 
1 1 1    1   36   11 o   89.371   12.629   24.447   5.3080   37.183   7.4862   11.571   7.5271  118.634   13.502   60.107   21.346 58.52726 25.25771 
1 1 1    1   36   12 o   93.828   15.373   26.792   6.3776   33.696   10.854   23.152   7.8816  100.692   23.495   86.964   19.832 13.72756 30.74582 
1 1 1    1   36   13 o  112.377   16.768   35.478   8.8064   35.478   8.8064   0.0000   0.0000  112.377   16.768  ?   ?       ?      ? 
1 1 1    1   36   14 o   68.740   16.883   16.653   6.6144   16.204   8.9293   17.199   9.8460   68.361   23.312   69.120   24.427 -0.7597885 33.76614 
1 1 1    1   36   15 o   70.631   13.498   15.534   4.7105   11.420   6.7135   19.524   6.6110   60.012   20.215   81.250   17.894 -21.23796 26.99697 
1 1 1    1   36   16 f   69.573   13.327   15.315   4.7914   21.249   6.6711   8.9930   6.8862   85.100   17.362   54.045   20.224 31.05477 26.65410 
1 1 1    1   36   17 o   53.524   13.479   8.3251   4.6215   13.447   6.5450   3.2314   6.5266   64.434   19.811   42.615   18.283 21.81926 26.95780 
1 1 1    1   36   18 o   58.604   13.017   11.123   4.2821   6.5888   6.5477   14.512   5.6604   48.226   19.255   68.982   17.523 -20.75608 26.03491 
1 1 1    1   36   19 o   52.302   12.989   8.2349   4.2942   3.4726   6.2322   12.539   5.9251   42.094   17.957   62.509   18.774 -20.41558 25.97885 
1 1 1    1   37    0 o   76.258   15.578   18.611   6.8116   18.611   6.8116   18.611   6.8116   76.258   22.031   76.258   22.031 -0.000000 0.000000 
1 1 1    1   37    1 o   65.964   13.716   13.953   4.5643   15.847   6.3638   11.946   6.5499   71.281   18.824   60.648   19.955 10.63303 27.43269 
1 1 1    1   37    2 o  132.947   12.534   52.029   7.7715   53.978   10.859   49.981   11.127  136.581   17.012  129.312   18.412 7.269012 25.06784 
1 1 1    1   37    3 o   70.614   11.955   14.668   4.3904   6.7800   6.0085   23.705   6.4310   48.640   18.730   92.588   14.862 -43.94818 23.91012 
1 1 1    1   37    4 o   31.226   10.084  -2.0705   3.3379   1.2207   4.9476  -4.8199   4.5221   36.055   15.694   26.397   12.669 9.658154 20.16896 
1 1 1    1   37    5 o  105.009   12.878   33.241   6.1296   30.258   8.8302   36.015   8.5155   97.801   19.994  112.218   16.237 -14.41629 25.75628 
1 1 1    1   37    6 o   43.486   13.434   3.0258   4.4770   2.2350   5.1050   5.6595   9.3166   38.123   16.257   48.850   21.392 -10.72635 26.86836 
1 1 1    1   37    7 o   67.478   13.329   14.421   4.4210   17.500   6.4407   11.678   6.0794   74.886   18.509   60.070   19.184 14.81623 26.65714 
1 1 1    1   37    8 o   89.468   15.269   26.298   6.1601   23.833   7.7781   30.445   10.089   86.329   19.712   92.607   23.324 -6.278099 30.53820 
1 1 1    1   37    9 o   38.634   11.572   2.3760   3.7283  -0.3807   5.7983   4.3191   4.8680   35.437   16.093   41.830   16.633 -6.392784 23.14421 
1 1 1    1   37   10 o   38.524   11.304   0.1507   3.8278   7.5370   5.6181  -6.2487   5.2293   49.758   18.336   27.289   13.227 22.46916 22.60856 
1 1 1    2    0    0 o   65.390   8.0454   10.862   3.1618   10.862   3.1618   10.862   3.1618   65.390   11.378   65.390   11.378 -0.000000 0.000000 
1 1 1    2    0    1 o  318.672   12.519  240.427   26.181  240.427   26.181  240.427   26.181  318.672   17.704  318.672   17.704 -0.000000 0.000000 
1 1 1    2    0    2 o  539.541   20.685  693.834   73.267  693.834   73.267  693.834   73.267  539.541   29.253  539.541   29.253 -0.000000 0.000000 
1 1 1    2    0    3 o  495.471   27.079  595.943   87.458  595.943   87.458  595.943   87.458  495.471   38.296  495.471   38.296 -0.000000 0.000000 
1 1 1    2    0    4 o  128.732   9.4679   40.077   7.8561   40.077   7.8561   40.077   7.8561  128.732   13.390  128.732   13.390 -0.000000 0.000000 
1 1 1    2    0    5 o  339.047   19.357  277.335   42.726  277.335   42.726  277.335   42.726  339.047   27.375  339.047   27.375 -0.000000 0.000000 
1 1 1    2    0    6 o  496.173   42.340  631.356  133.485  631.356  133.485  631.356  133.485  496.173   59.878  496.173   59.878 -0.000000 0.000000 
1 1 1    2    0    7 o  867.980   48.246  1897.57  272.841  1897.57  272.841  1897.57  272.841  867.980   68.230  867.980   68.230 -0.000000 0.000000 
1 1 1    2    0    8 o  298.634   17.176  213.639   33.386  213.639   33.386  213.639   33.386  298.634   24.291  298.634   24.291 -0.000000 0.000000 
1 1 1    2    0    9 o  134.811   9.6676   43.820   8.4109   43.820   8.4109   43.820   8.4109  134.811   13.672  134.811   13.672 -0.000000 0.000000 
1 1 1    2    0   10 o  129.922   9.5122   40.741   7.9675   40.741   7.9675   40.741   7.9675  129.922   13.452  129.922   13.452 -0.000000 0.000000 
1 1 1    2    0   11 o   57.787   8.6029   8.7695   2.8924   8.7695   2.8924   8.7695   2.8924   57.787   12.166   57.787   12.166 -0.000000 0.000000 
1 1 1    2    0   12 o  893.851   49.260  1957.37  286.950  1957.37  286.950  1957.37  286.950  893.851   69.664  893.851   69.664 -0.000000 0.000000 
1 1 1    2    0   13 o  273.950   15.971  179.560   28.465  179.560   28.465  179.560   28.465  273.950   22.586  273.950   22.586 -0.000000 0.000000 
1 1 1    2    0   14 o  355.480   29.882  311.772   67.591  311.772   67.591  311.772   67.591  355.480   42.260  355.480   42.260 -0.000000 0.000000 
1 1 1    2    0   15 o   26.223   9.7067   2.3329   2.2127   2.3329   2.2127   2.3329   2.2127   26.223   13.727   26.223   13.727 -0.000000 0.000000 
1 1 1    2    0   16 o  887.482   82.128  2208.98  458.887  2208.98  458.887  2208.98  458.887  887.482  116.147  887.482  116.147 -0.000000 0.000000 
1 1 1    2    0   17 o  593.183   33.230  862.296  128.400  862.296  128.400  862.296  128.400  593.183   46.995  593.183   46.995 -0.000000 0.000000 
1 1 1    2    0   18 o   12.415   5.7571  -0.1943   1.1817  -0.1943   1.1817  -0.1943   1.1817   12.415   8.1418   12.415   8.1418 -0.000000 0.000000 
1 1 1    2    0   19 o  206.800   12.855  102.674   17.257  102.674   17.257  102.674   17.257  206.800   18.179  206.800   18.179 -0.000000 0.000000 
1 1 1    2    0   20 o   41.754   10.556   5.3912   2.6601   5.3912   2.6601   5.3912   2.6601   41.754   14.928   41.754   14.928 -0.000000 0.000000 
1 1 1    2    0   21 o  225.373   13.739  122.012   20.115  122.012   20.115  122.012   20.115  225.373   19.429  225.373   19.429 -0.000000 0.000000 
1 1 1    2    0   22 o  134.329   8.0169   43.148   7.0009   43.148   7.0009   43.148   7.0009  134.329   11.338  134.329   11.338 -0.000000 0.000000 
1 1 1    2    0   23 f  148.436   8.3202   52.544   8.0447   52.544   8.0447   52.544   8.0447  148.436   11.767  148.436   11.767 -0.000000 0.000000 
1 1 1    2    0   24 o  500.117   22.319  598.959   73.101  598.959   73.101  598.959   73.101  500.117   31.564  500.117   31.564 -0.000000 0.000000 
1 1 1    2    0   25 o  341.195   15.480  276.769   34.579  276.769   34.579  276.769   34.579  341.195   21.892  341.195   21.892 -0.000000 0.000000 
1 1 1    2    0   26 o  339.901   15.418  274.306   34.310  274.306   34.310  274.306   34.310  339.901   21.804  339.901   21.804 -0.000000 0.000000 
1 1 1    2    0   27 o   28.644   10.315   2.8122   2.4533   2.8122   2.4533   2.8122   2.4533   28.644   14.587   28.644   14.587 -0.000000 0.000000 
1 1 1    2    0   28 o  425.713   23.715  434.484   65.773  434.484   65.773  434.484   65.773  425.713   33.538  425.713   33.538 -0.000000 0.000000 
1 1 1    2    0   29 o  200.890   10.194   95.885   13.375   95.885   13.375   95.885   13.375  200.890   14.416  200.890   14.416 -0.000000 0.000000 
1 1 1    2    0   30 o  717.495   31.754  1233.80  149.233  1233.80  149.233  1233.80  149.233  717.495   44.908  717.495   44.908 -0.000000 0.000000 
1 1 1    2    0   31 o   91.386   11.704   21.364   6.3810   21.364   6.3810   21.364   6.3810   91.386   16.552   91.386   16.552 -0.000000 0.000000 
1 1 1    2    0   32 o   49.765   15.675   8.3723   5.4655   8.3723   5.4655   8.3723   5.4655   49.765   22.168   49.765   22.168 -0.000000 0.000000 
1 1 1    2    0   33 o  219.361   20.504  118.887   28.280  118.887   28.280  118.887   28.280  219.361   28.997  219.361   28.997 -0.000000 0.000000 
1 1 1    2    0   34 o  245.392   14.884  144.400   23.732  144.400   23.732  144.400   23.732  245.392   21.050  245.392   21.050 -0.000000 0.000000 
1 1 1    2    0   35 o  247.222   12.345  145.389   19.941  145.389   19.941  145.389   19.941  247.222   17.459  247.222   17.459 -0.000000 0.000000 
1 1 1    2    0   36 o   83.316   17.393   20.018   8.3266   20.018   8.3266   20.018   8.3266   83.316   24.597   83.316   24.597 -0.000000 0.000000 
1 1 1    2    0   37 o  169.767   13.066   69.961   14.220   69.961   14.220   69.961   14.220  169.767   18.478  169.767   18.478 -0.000000 0.000000 
1 1 1    2    0   38 o  130.550   12.927   42.255   10.528   42.255   10.528   42.255   10.528  130.550   18.282  130.550   18.282 -0.000000 0.000000 
1 1 1    2    0   39 o  237.555   22.908  140.792   34.074  140.792   34.074  140.792   34.074  237.555   32.397  237.555   32.397 -0.000000 0.000000 
1 1 1    2    0   40 o  302.444   14.444  217.935   28.571  217.935   28.571  217.935   28.571  302.444   20.427  302.444   20.427 -0.000000 0.000000 
1 1 1    2    0   41 o  428.585   19.577  441.348   54.924  441.348   54.924  441.348   54.924  428.585   27.686  428.585   27.686 -0.000000 0.000000 
1 1 1    2    0   42 o  383.804   21.786  358.454   54.445  358.454   54.445  358.454   54.445  383.804   30.810  383.804   30.810 -0.000000 0.000000 
1 1 1    2    0   43 o  138.525   10.075   46.464   9.0006   46.464   9.0006   46.464   9.0006  138.525   14.248  138.525   14.248 -0.000000 0.000000 
1 1 1    2    0   44 o   57.840   15.435   10.648   5.5267   10.648   5.5267   10.648   5.5267   57.840   21.829   57.840   21.829 -0.000000 0.000000 
1 1 1    2    0   45 o   72.062   14.076   14.707   5.7980   14.707   5.7980   14.707   5.7980   72.062   19.906   72.062   19.906 -0.000000 0.000000 
1 1 1    2    0   46 o   56.991   15.408   10.426   5.4753   10.426   5.4753   10.426   5.4753   56.991   21.790   56.991   21.790 -0.000000 0.000000 
1 1 1    2    0   47 o   53.373   20.550   9.7680   10.261   9.7680   10.261   9.7680   10.261   53.373   29.063   53.373   29.063 -0.000000 0.000000 
1 1 1    2    0   48 o   27.753   13.102  -2.0963   6.5778  -2.0963   6.5778  -2.0963   6.5778   27.753   18.529   27.753   18.529 -0.000000 0.000000 
1 1 1    2    0   50 o   72.934   15.481   15.597   6.5030   15.597   6.5030   15.597   6.5030   72.934   21.894   72.934   21.894 -0.000000 0.000000 
1 1 1    2    0   51 o  167.407   10.337   67.781   11.237   67.781   11.237   67.781   11.237  167.407   14.619  167.407   14.619 -0.000000 0.000000 
1 1 1    2    0   52 o   21.534   10.424  -2.9866   4.7112  -2.9866   4.7112  -2.9866   4.7112   21.534   14.742   21.534   14.742 -0.000000 0.000000 
1 1 1    2    0   53 o  122.735   11.164   37.402   8.6444   37.402   8.6444   37.402   8.6444  122.735   15.788  122.735   15.788 -0.000000 0.000000 
1 1 1    2    0   54 o   38.440   17.515   0.7104   10.284   0.7104   10.284   0.7104   10.284   38.440   24.770   38.440   24.770 -0.000000 0.000000 
1 1 1    2    0   55 o  224.719   15.145  125.095   22.024  125.095   22.024  125.095   22.024  224.719   21.418  224.719   21.418 -0.000000 0.000000 
1 1 1    2    0   56 o   59.756   19.241   12.659   8.2418   12.659   8.2418   12.659   8.2418   59.756   27.212   59.756   27.212 -0.000000 0.000000 
1 1 1    2    0   57 o  105.923   15.356   29.990   9.5015   29.990   9.5015   29.990   9.5015  105.923   21.717  105.923   21.717 -0.000000 0.000000 
1 1 1    2    0   58 o  140.209   13.812   49.896   12.089   49.896   12.089   49.896   12.089  140.209   19.534  140.209   19.534 -0.000000 0.000000 
1 1 1    2    0   59 o   69.826   19.707   16.471   8.8075   16.471   8.8075   16.471   8.8075   69.826   27.870   69.826   27.870 -0.000000 0.000000 
1 1 1    2    0   60 o   79.472   24.613   23.032   13.484   23.032   13.484   23.032   13.484   79.472   34.809   79.472   34.809 -0.000000 0.000000 
1 1 1    2    0   61 f   71.938   24.091   19.646   12.998   19.646   12.998   19.646   12.998   71.938   34.070   71.938   34.070 -0.000000 0.000000 
1 1 1    2    0   62 o   37.945   18.346  -6.8069   14.494  -6.8069   14.494  -6.8069   14.494   37.945   25.946   37.945   25.946 -0.000000 0.000000 
1 1 1    2    0   63 o  147.028   26.422   65.903   22.200   65.903   22.200   65.903   22.200  147.028   37.367  147.028   37.367 -0.000000 0.000000 
1 1 1    2    0   64 o  123.620   27.641   50.610   19.859   50.610   19.859   50.610   19.859  123.620   39.091  123.620   39.091 -0.000000 0.000000 
1 1 1    2    0   65 o   20.134   10.395 -18.9890   8.3692 -18.9890   8.3692 -18.9890   8.3692   20.134   14.701   20.134   14.701 -0.000000 0.000000 
1 1 1    2    0   66 o   62.986   20.379   15.026   9.2495   15.026   9.2495   15.026   9.2495   62.986   28.820   62.986   28.820 -0.000000 0.000000 
1 1 1    2    0   67 o  129.264   22.874   51.141   16.905   51.141   16.905   51.141   16.905  129.264   32.348  129.264   32.348 -0.000000 0.000000 
1 1 1    2    0   68 o   34.241   16.078  -0.4973   9.6789  -0.4973   9.6789  -0.4973   9.6789   34.241   22.738   34.241   22.738 -0.000000 0.000000 
1 1 1    2    0   70 o   43.629   17.085   7.6960   7.2261   7.6960   7.2261   7.6960   7.2261   43.629   24.162   43.629   24.162 -0.000000 0.000000 
1 1 1    2    0   71 o   29.878   13.964   0.0750   7.1661   0.0750   7.1661   0.0750   7.1661   29.878   19.748   29.878   19.748 -0.000000 0.000000 
1 1 1    2    0   72 o   55.323   18.788   12.921   7.9340   12.921   7.9340   12.921   7.9340   55.323   26.571   55.323   26.571 -0.000000 0.000000 
1 1 1    2    0   73 o   75.244   19.436   21.104   8.9101   21.104   8.9101   21.104   8.9101   75.244   27.487   75.244   27.487 -0.000000 0.000000 
1 1 1    2    1    0 o  408.161   15.600  395.169   41.803  395.169   41.803  395.169   41.803  408.161   22.062  408.161   22.062 -0.000000 0.000000 
1 1 1    2    1    1 o  202.344   7.0992   94.731   6.6667   85.880   8.8175  106.544   10.186  191.457   9.8545  213.230   10.222 -21.77277 14.19837 
1 1 1    2    1    2 o  457.887   20.143  501.702   43.050  473.258   60.880  530.148   60.882  444.594   29.300  471.179   27.648 -26.58459 40.28537 
1 1 1    2    1    3 o  225.217   12.220  121.973   12.452  109.316   19.686  130.414   16.076  214.987   19.593  235.447   14.610 -20.45973 24.44041 
1 1 1    2    1    4 o  211.188   12.123  105.435   11.940   97.525   16.882  113.351   16.888  203.170   17.779  219.205   16.485 -16.03450 24.24594 
1 1 1    2    1    5 o  253.099   14.613  152.002   17.279  147.285   24.436  156.720   24.436  249.111   20.989  257.087   20.338 -7.976761 29.22614 
1 1 1    2    1    6 o  187.675   10.961   84.140   9.3933  104.717   13.294   63.624   13.274  211.100   13.475  164.251   17.293 46.84946 21.92278 
1 1 1    2    1    7 o  275.326   12.945  175.813   16.414  163.712   21.185  193.986   25.961  263.780   17.185  286.871   19.364 -23.09079 25.88979 
1 1 1    2    1    8 o  270.502   14.325  176.252   17.486  190.516   22.575  154.856   27.648  284.800   16.961  256.205   23.091 28.59479 28.65040 
1 1 1    2    1    9 o  315.697   16.614  242.827   23.470  270.445   30.300  201.407   37.107  339.328   19.107  292.067   27.185 47.26065 33.22771 
1 1 1    2    1   10 o  362.244   17.706  308.431   29.390  306.240   37.939  311.718   46.475  360.903   22.493  363.585   27.351 -2.681580 35.41191 
1 1 1    2    1   11 o  197.341   10.859   91.556   9.7933   92.739   12.639   89.778   15.491  199.001   13.590  195.682   16.939 3.319260 21.71723 
1 1 1    2    1   12 o  295.515   15.117  209.719   20.186  225.561   26.060  185.959   31.916  310.026   17.986  281.004   24.302 29.02185 30.23404 
1 1 1    2    1   13 o  277.852   14.029  180.410   17.894  175.963   23.098  187.088   28.301  273.736   18.055  281.969   21.476 -8.233093 28.05724 
1 1 1    2    1   14 o  300.561   21.348  220.784   27.768  232.835   34.007  196.677   48.099  314.197   23.159  286.924   35.869 27.27322 42.69621 
1 1 1    2    1   15 o  497.219   56.057  615.622  130.262  615.622  130.262   0.0000   0.0000  497.219   56.057  ?   ?       ?      ? 
1 1 1    2    1   16 o  403.537   25.844  386.494   46.265  372.084   56.658  415.329   80.146  394.369   30.741  412.706   41.552 -18.33661 51.68760 
1 1 1    2    1   17 o  278.863   18.880  182.331   23.356  175.915   28.600  195.175   40.469  272.430   22.463  285.296   30.352 -12.86594 37.76024 
1 1 1    2    1   18 o  138.557   11.498   46.693   6.3399   48.156   7.3266   42.331   12.650  143.308   10.939  133.805   20.229 9.502411 22.99695 
1 1 1    2    1   19 o  252.989   12.608  147.207   14.702  129.381   18.971  174.016   23.265  234.339   17.322  271.639   18.326 -37.29987 25.21675 
1 1 1    2    1   20 o  281.550   16.062  188.196   21.066  170.974   29.792  205.417   29.792  268.461   23.745  294.638   21.635 -26.17624 32.12352 
1 1 1    2    1   21 o  264.640   13.477  165.546   16.328  165.965   25.830  165.266   21.072  264.603   20.887  264.676   17.035 -0.7247925E-01 26.95307 
1 1 1    2    1   22 o  431.913   19.124  446.577   38.594  436.345   54.583  456.807   54.578  426.844   27.362  436.981   26.725 -10.13782 38.24751 
1 1 1    2    1   23 o  262.814   12.219  162.901   14.978  174.773   21.185  151.037   21.178  272.476   16.636  253.152   17.900 19.32401 24.43746 
1 1 1    2    1   24 o  589.124   26.177  840.454   72.051  818.423  101.896  862.484  101.896  581.123   37.519  597.126   36.513 -16.00317 52.35317 
1 1 1    2    1   25 o  276.244   12.765  179.556   16.480  179.895   23.311  179.217   23.302  276.506   18.039  275.982   18.066 0.5238342 25.53041 
1 1 1    2    1   26 o  409.855   18.132  396.759   34.714  382.737   49.093  410.781   49.094  402.535   26.096  417.175   25.180 -14.64078 36.26358 
1 1 1    2    1   27 o  391.440   17.239  361.047   31.537  358.040   44.599  364.054   44.600  389.796   24.482  393.084   24.278 -3.287537 34.47858 
1 1 1    2    1   28 o  421.125   20.689  417.039   39.990  407.801   51.631  430.890   63.223  415.753   26.572  426.496   31.719 -10.74356 41.37848 
1 1 1    2    1   29 o  712.886   31.173  1221.16  103.601  1317.80  146.523  1124.56  146.505  741.885   42.260  683.886   45.838 57.99902 62.34588 
1 1 1    2    1   30 f  796.129   34.778  1532.13  129.316  1470.60  182.878  1593.66  182.883  779.593   50.194  812.665   48.152 -33.07214 69.55627 
1 1 1    2    1   31 o  269.064   15.046  170.705   18.847  153.473   26.652  187.941   26.656  255.359   22.332  282.769   20.170 -27.41014 30.09274 
1 1 1    2    1   32 o  232.226   16.806  131.324   16.948  114.808   29.040  139.856   20.872  220.397   28.193  244.055   18.299 -23.65799 33.61125 
1 1 1    2    1   33 o  292.609   23.871  205.433   32.209  243.461   45.579  167.502   45.521  320.378   30.441  264.840   36.778 55.53848 47.74154 
1 1 1    2    1   34 o  218.585   16.362  112.210   15.867  114.917   27.231  110.818   19.524  220.210   26.460  216.960   19.255 3.250504 32.72406 
1 1 1    2    1   35 o  274.370   14.471  178.869   18.095  170.712   28.621  184.300   23.355  268.833   22.780  279.907   17.853 -11.07437 28.94247 
1 1 1    2    1   36 o  720.058   40.094  1300.80  134.774  1234.92  190.586  1366.70  190.613  700.483   58.217  739.634   55.143 -39.15137 80.18751 
1 1 1    2    1   37 o  446.580   24.609  479.242   51.359  474.283   72.659  484.194   72.608  444.202   35.000  448.959   34.605 -4.757355 49.21852 
1 1 1    2    1   38 f  399.913   21.941  383.272   40.945  407.684   57.975  358.976   57.836  412.931   30.042  386.894   31.986 26.03757 43.88195 
1 1 1    2    1   39 o  296.960   15.603  207.272   21.315  200.087   27.592  217.905   33.568  290.937   20.293  302.983   23.706 -12.04544 31.20538 
1 1 1    2    1   40 o  719.956   54.244  1453.96  151.191  1496.46  174.577  1326.43  302.396  773.965   48.264  665.947   97.161 108.0177 108.4885 
1 1 1    2    1   41 o  168.984   12.014   67.817   9.4369   60.146   13.400   75.364   13.292  159.341   17.995  178.628   15.922 -19.28690 24.02748 
1 1 1    2    1   42 o  215.432   10.877  109.677   10.947  113.867   15.573  105.584   15.390  219.530   15.179  211.333   15.582 8.197281 21.75326 
1 1 1    2    1   43 o  186.073   10.329   81.927   8.9421   91.470   12.721   72.607   12.572  196.906   13.824  175.239   15.351 21.66777 20.65793 
1 1 1    2    1   44 f  513.703   23.656  653.947   56.770  632.995   80.288  674.894   80.281  504.976   34.020  522.431   32.881 -17.45505 47.31296 
1 1 1    2    1   45 o  185.251   9.6670   81.159   8.3586   86.158   11.852   76.211   11.790  190.990   13.278  179.512   14.053 11.47801 19.33393 
1 1 1    2    1   46 o   42.099   12.390   1.2469   3.9118   2.1163   4.7990  -0.4743   6.7526   41.313   16.488   42.884   18.500 -1.570980 24.78056 
1 1 1    2    1   47 o  268.621   14.513  174.022   17.847  173.397   23.037  174.959   28.225  268.887   18.332  268.355   22.505 0.5321350 29.02674 
1 1 1    2    1   48 o   56.167   12.771   4.2292   4.8766  -6.2611   6.9187   14.587   6.8747   35.962   16.773   76.371   19.264 -40.40859 25.54217 
1 1 1    2    1   49 o  172.414   18.011   73.650   14.498   77.167   20.486   70.122   20.521  176.794   24.794  168.034   26.131 8.759888 36.02242 
1 1 1    2    1   50 o  113.163   16.551   31.665   8.6262   23.174   11.567   42.306   12.949   94.765   25.539  131.561   21.060 -36.79651 33.10214 
1 1 1    2    1   51 o  148.524   11.002   54.055   7.3735   57.613   9.4858   48.624   11.721  155.437   13.058  141.611   17.710 13.82620 22.00326 
1 1 1    2    1   52 o   74.823   13.987   16.336   5.2549   20.318   5.9293   1.7563   11.345   92.212   13.759   57.433   24.356 34.77817 27.97310 
1 1 1    2    1   53 o  219.243   17.578  118.971   16.910  115.306   20.550  126.655   29.758  216.693   20.292  221.794   28.709 -5.101486 35.15636 
1 1 1    2    1   54 o   61.138   13.759   6.6952   5.6515  -6.0972   8.4396   17.095   7.6094   40.653   18.810   81.623   20.085 -40.97044 27.51761 
1 1 1    2    1   55 o  114.510   13.713   33.136   7.0640   39.216   9.9372   26.925   10.043  126.897   16.756  102.122   21.712 24.77509 27.42590 
1 1 1    2    1   56 o   58.047   13.491  -3.4956   4.6790 -10.1683   5.2714   21.288   10.159   26.003   12.749   90.092   23.780 -64.08927 26.98211 
1 1 1    2    1   57 o  118.635   12.678   34.117   6.9978   31.070   9.3802   37.942   10.508  112.751   17.801  124.519   18.058 -11.76822 25.35662 
1 1 1    2    1   58 o   73.692   16.862   13.065   6.0012   12.200   6.9325   15.652   11.987   68.986   20.205   78.397   27.002 -9.410995 33.72498 
1 1 1    2    1   59 o   65.476   16.143   10.515   5.8245   12.226   6.6448   4.8392   12.101   69.068   19.649   61.884   25.619 7.183441 32.28658 
1 1 1    2    1   60 o   75.098   17.338   14.170   6.9154   11.735   8.9413   17.796   10.909   68.573   23.328   81.623   25.657 -13.05038 34.67666 
1 1 1    2    1   61 o  139.191   19.827   53.873   12.628   59.394   17.461   47.819   18.285  149.804   24.940  128.578   30.828 21.22601 39.65346 
1 1 1    2    1   62 o   81.336   17.934   15.191   9.1103   32.260   13.019  -1.1859   12.752  107.541   26.156   55.131   24.544 52.40975 35.86824 
1 1 1    2    1   63 o   80.958   20.128   17.813   8.8246   17.061   17.508   18.069   10.217   81.071   31.761   80.846   24.735 0.2251205 40.25643 
1 1 1    2    1   64 o   95.578   23.035   27.857   12.550   35.369   18.150   20.974   17.373  105.873   33.063   85.284   32.082 20.58866 46.06999 
1 1 1    2    1   65 o   75.966   20.528   15.639   10.123   13.656   13.668   18.049   15.067   72.558   28.162   79.374   29.874 -6.816391 41.05558 
1 1 1    2    1   66 o   50.230   15.795   0.3875   6.8631  -0.0000   12.801   0.5438   8.1304   54.547   24.414   45.913   20.048 8.634609 31.59067 
1 1 1    2    1   67 o   62.042   16.910   8.0897   7.7922  -3.2982   12.212   15.910   10.120   50.079   22.974   74.006   24.820 -23.92679 33.82042 
1 1 1    2    1   68 f   87.078   18.960   24.766   8.4474   24.602   12.907   24.889   11.172   85.556   28.006   88.599   25.565 -3.042107 37.91975 
1 1 1    2    1   69 o   66.721   14.962   11.114   5.9706   21.810   8.8973   2.3517   8.0530   86.240   22.004   47.201   20.281 39.03855 29.92450 
1 1 1    2    1   70 o   44.394   13.515   0.7824   5.5413  -6.7770   8.3250   6.7957   7.4250   36.734   17.510   52.055   20.592 -15.32072 27.03006 
1 1 1    2    1   71 o   42.505   13.884  -1.5990   6.4272   1.0183   7.9222  -6.6390   10.993   43.182   19.276   41.827   19.988 1.354221 27.76833 
1 1 1    2    1   72 o   61.851   15.707   12.609   5.8559   10.459   8.5034   14.548   8.0760   57.593   22.253   66.108   22.172 -8.514973 31.41308 
1 1 1    2    1   73 o   38.132   11.984  -8.1744   5.1662   8.4993   7.4991 -23.2351   7.1272   52.604   20.731   23.660   12.028 28.94479 23.96750 
1 1 1    2    2    0 o  504.797   28.022  621.358   92.167  621.358   92.167  621.358   92.167  504.797   39.629  504.797   39.629 -0.000000 0.000000 
1 1 1    2    2    1 o  312.549   20.913  229.767   29.063  251.940   50.340  218.682   35.594  322.378   33.412  302.720   25.159 19.65790 41.82527 
1 1 1    2    2    2 o  929.186   46.099  2246.86  197.134  1871.59  254.492  2809.83  311.708  835.094   65.207  1023.28   65.180 -188.1840 92.19760 
1 1 1    2    2    3 o   66.847   7.5582   10.679   2.2924   9.2831   3.2329   12.090   3.2512   61.886   11.604   71.808   9.6878 -9.921806 15.11642 
1 1 1    2    2    4 o  799.883   49.491  1627.68  177.784  1307.41  217.730  2268.40  307.961  695.185   67.015  904.582   72.846 -209.3976 98.98280 
1 1 1    2    2    5 o  379.358   19.680  361.131   32.955  416.306   42.550  278.414   52.098  419.078   21.725  339.638   32.822 79.43997 39.36072 
1 1 1    2    2    6 o  318.911   15.373  242.692   22.321  251.509   28.816  229.466   35.294  326.667   18.875  311.155   24.271 15.51166 30.74634 
1 1 1    2    2    7 o  333.268   13.715  262.515   21.217  227.555   30.001  297.493   30.009  310.816   20.653  355.719   18.051 -44.90277 27.42959 
1 1 1    2    2    8 o  1029.27   45.571  2629.50  219.168  2572.26  309.950  2686.75  309.950  1017.37   65.188  1041.18   63.698 -23.80127 91.14228 
1 1 1    2    2    9 o  163.041   11.218   60.851   7.4822   65.365   14.971   59.348   8.6383  166.854   19.199  159.228   11.608 7.625885 22.43582 
1 1 1    2    2   10 o  598.960   38.995  882.286   93.235  838.681  186.473  896.821  107.658  583.418   68.390  614.502   37.487 -31.08362 77.99017 
1 1 1    2    2   11 o  694.261   34.270  1150.97  109.249  1201.21  172.738  1117.47  141.041  705.146   52.416  683.376   44.161 21.77063 68.53960 
1 1 1    2    2   12 o  880.453   43.625  1931.51  174.287  2020.85  225.009  1797.52  275.562  912.226   52.778  848.682   69.476 63.54407 87.24900 
1 1 1    2    2   13 o  254.509   12.960  150.854   15.159  145.252   19.564  159.268   23.978  248.755   16.829  260.263   19.713 -11.50700 25.91908 
1 1 1    2    2   14 o  421.631   22.696  423.597   44.694  406.803   63.203  440.395   63.211  413.108   32.737  430.154   31.443 -17.04623 45.39124 
1 1 1    2    2   15 f  134.396   13.353   42.632   8.3620   38.922   11.840   46.325   11.812  128.501   19.715  140.290   18.015 -11.78937 26.70623 
1 1 1    2    2   16 o  702.651   53.793  1346.40  163.225  1268.14  282.724  1385.52  199.905  667.496   90.630  737.807   57.975 -70.31110 107.5865 
1 1 1    2    2   17 o  255.814   17.394  152.074   19.784  166.995   34.309  144.640   24.215  264.399   27.765  247.229   20.958 17.17038 34.78717 
1 1 1    2    2   18 o  215.063   10.410  108.859   10.446  115.969   14.777  101.757   14.769  222.133   14.235  207.993   15.194 14.13966 20.82015 
1 1 1    2    2   19 o  270.326   15.211  174.241   18.975  142.776   26.819  205.778   26.850  245.394   23.385  295.259   19.458 -49.86447 30.42124 
1 1 1    2    2   20 o  260.276   16.943  152.299   19.791  191.950   34.302  132.515   24.230  283.987   25.845  236.565   21.916 47.42230 33.88668 
1 1 1    2    2   21 o  634.568   31.988  997.281   93.307  1066.49  147.544  951.156  120.453  649.468   48.610  619.668   41.592 29.79974 63.97514 
1 1 1    2    2   22 o  536.367   24.848  677.929   61.363  839.450   97.056  570.369   79.201  587.924   35.323  484.810   34.956 103.1139 49.69519 
1 1 1    2    2   23 o  376.827   16.700  337.900   29.236  296.060   41.335  379.785   41.357  353.057   25.051  400.596   22.090 -47.53842 33.39969 
1 1 1    2    2   24 o  302.533   19.560  216.217   23.988  221.894   48.002  214.327   27.694  303.710   33.819  301.356   19.663 2.353912 39.11985 
1 1 1    2    2   25 o  298.308   14.604  206.745   20.055  226.193   31.730  193.809   25.880  309.669   21.925  286.947   19.298 22.72214 29.20828 
1 1 1    2    2   26 o  371.061   15.405  328.574   26.205  297.051   40.030  352.214   34.665  354.968   24.130  387.155   19.159 -32.18646 30.81063 
1 1 1    2    2   27 o  342.231   16.730  281.440   24.930  259.796   43.201  292.246   30.525  331.654   27.872  352.808   18.513 -21.15457 33.46012 
1 1 1    2    2   28 o  414.360   16.765  406.644   32.022  388.921   48.918  419.933   42.358  406.127   25.773  422.594   21.447 -16.46652 33.52949 
1 1 1    2    2   29 o  290.016   13.389  197.519   18.147  196.905   25.703  198.129   25.625  289.562   18.993  290.470   18.877 -0.9076843 26.77818 
1 1 1    2    2   30 o  579.501   22.932  789.217   61.662  855.131   94.229  739.853   81.546  600.159   33.595  558.842   31.223 41.31744 45.86384 
1 1 1    2    2   31 o  166.285   10.959   64.963   8.4935   62.830   12.352   66.875   11.698  163.667   16.148  168.903   14.820 -5.236420 21.91766 
1 1 1    2    2   32 o  470.413   29.692  523.709   65.277   0.0000   0.0000  523.709   65.277  ?   ?   470.413   29.692      ?      ? 
1 1 1    2    2   33 o  291.604   19.178  199.954   26.136   0.0000   0.0000  199.954   26.136  ?   ?   291.604   19.178      ?      ? 
1 1 1    2    2   34 o  291.989   33.761  203.880   46.071   0.0000   0.0000  203.880   46.071  ?   ?   291.989   33.761      ?      ? 
1 1 1    2    2   35 o   97.249   16.497   21.328   6.8707   18.471   8.1136   28.568   12.918   86.811   20.352  107.688   25.969 -20.87685 32.99407 
1 1 1    2    2   36 o  353.958   29.972  345.807   38.026  380.454   43.872  241.161   76.246  400.989   23.411  306.928   55.183 94.06042 59.94363 
1 1 1    2    2   37 o  352.891   26.900  313.415   40.653  336.873   49.767  266.371   70.478  376.163   28.309  329.620   45.751 46.54376 53.80058 
1 1 1    2    2   38 o  573.517   27.947  791.862   73.691  847.114  116.570  755.085   95.104  588.289   42.399  558.745   36.420 29.54413 55.89364 
1 1 1    2    2   39 o   72.166   13.094   13.475   4.5014   8.3213   7.4511   16.437   5.6488   62.018   21.293   82.314   15.245 -20.29525 26.18791 
1 1 1    2    2   40 o  131.766   10.984   42.591   6.4808   50.679   8.6245   32.100   9.8224  146.910   12.561  116.621   18.022 30.28912 21.96750 
1 1 1    2    2   41 o  236.175   20.880  154.144   17.715  170.227   20.480  106.358   35.301  268.330   16.331  204.021   38.433 64.30914 41.75902 
1 1 1    2    2   42 o  430.824   37.643  531.533   64.139  602.091   78.527  390.126  111.168  493.919   34.019  367.729   67.161 126.1898 75.28506 
1 1 1    2    2   43 o  242.748   16.797  134.956   18.194  120.748   22.166  164.290   31.851  224.804   21.098  260.692   26.143 -35.88741 33.59460 
1 1 1    2    2   44 o   90.381   13.136   19.423   5.4637   13.394   7.2888   27.156   8.2547   73.752   20.439  107.010   16.506 -33.25782 26.27155 
1 1 1    2    2   45 o  222.284   12.500  117.316   12.717  115.727   16.358  119.744   20.218  220.807   15.852  223.761   19.333 -2.954346 25.00098 
1 1 1    2    2   46 o  176.033   15.742   76.911   11.898   80.151   14.450   70.087   20.969  183.269   16.871  168.797   26.581 14.47180 31.48310 
1 1 1    2    2   47 o  134.930   16.723   44.787   10.305   40.670   14.042   49.592   15.170  127.053   24.536  142.807   22.730 -15.75453 33.44650 
1 1 1    2    2   48 o  228.008   20.279  125.739   21.609   0.0000   0.0000  125.739   21.609  ?   ?   228.008   20.279      ?      ? 
1 1 1    2    2   49 o  124.153   17.916   40.320   10.290   58.431   14.478   21.829   14.629  155.285   19.950   93.021   29.764 62.26368 35.83102 
1 1 1    2    2   50 o  106.853   13.544   24.783   5.8195   21.436   6.6397   35.873   12.087   94.657   15.009  119.049   22.550 -24.39223 27.08791 
1 1 1    2    2   51 o  177.231   13.029   76.565   10.771   80.059   15.037   72.884   15.435  181.658   17.712  172.804   19.112 8.854065 26.05734 
1 1 1    2    2   52 o  106.806   16.620   27.525   8.2958   27.525   8.2958   0.0000   0.0000  106.806   16.620  ?   ?       ?      ? 
1 1 1    2    2   53 o  129.760   16.098   43.681   8.5867   45.453   10.284   39.602   15.603  137.269   16.030  122.251   27.923 15.01836 32.19693 
1 1 1    2    2   54 o   51.213   13.964   4.2928   4.6968   2.6782   6.1262   6.5951   7.3154   45.918   18.521   56.509   20.904 -10.59138 27.92887 
1 1 1    2    2   55 o   88.333   14.030   19.447   5.9466   11.227   8.1034   29.038   8.7536   67.566   22.194  109.099   17.168 -41.53306 28.05927 
1 1 1    2    2   56 o  242.889   13.933  145.518   15.447  144.422   19.829  147.209   24.636  243.160   17.449  242.618   21.727 0.5414276 27.86618 
1 1 1    2    2   57 o   43.693   13.807  -1.0480   4.7901  -0.5081   5.3674  -3.1601   10.616   37.732   16.385   49.654   22.228 -11.92233 27.61434 
1 1 1    2    2   58 o   68.452   16.589   9.7879   5.5920   7.8951   6.3624   16.215   11.724   57.708   19.678   79.197   26.714 -21.48872 33.17894 
1 1 1    2    2   59 o  227.619   20.223  139.687   19.967  143.924   24.530  131.367   34.374  238.504   22.007  216.734   33.936 21.76996 40.44667 
1 1 1    2    2   60 o  126.875   19.356   46.664   12.033   70.464   16.560   20.042   17.514  166.462   21.286   87.287   32.334 79.17552 38.71153 
1 1 1    2    2   61 o  149.530   13.439   56.672   9.2689   46.963   13.127   66.326   13.090  135.660   20.704  163.400   17.141 -27.74002 26.87900 
1 1 1    2    2   62 o   99.536   19.448   27.927   8.7759   27.777   16.783   27.984   10.296   96.853   31.946  102.220   22.188 -5.367477 38.89572 
1 1 1    2    2   63 o   79.290   18.650   11.388   7.7465   32.546   15.424   4.2512   8.9583  104.581   29.998   53.999   22.166 50.58177 37.29906 
1 1 1    2    2   64 o   59.957   21.590   8.7018   7.7261   8.7018   7.7261   0.0000   0.0000   59.957   21.590  ?   ?       ?      ? 
1 1 1    2    2   65 o   94.158   20.848   26.961   11.469   11.065   16.505   41.800   15.947   71.207   29.735  117.109   29.230 -45.90221 41.69614 
1 1 1    2    2   66 o   60.836   16.609  -3.7395   8.1861   23.166   13.268 -20.2755   10.402   86.832   28.394   34.840   17.239 51.99247 33.21712 
1 1 1    2    2   67 f  109.376   20.196   37.194   10.654   48.305   15.734   27.786   14.477  126.085   27.478   92.666   29.605 33.41897 40.39150 
1 1 1    2    2   68 o   96.916   16.135   33.382   8.6479   7.9945   15.063   45.863   10.562   62.535   27.297  131.297   17.212 -68.76279 32.27082 
1 1 1    2    2   69 o   90.649   15.982   27.297   7.6939   11.062   13.056   35.935   9.5231   65.018   26.732  116.281   17.524 -51.26315 31.96414 
1 1 1    2    2   70 o   66.212   16.362   13.966   6.2285   14.186   9.0894   13.772   8.5519   66.465   23.472   65.959   22.802 0.5060501 32.72434 
1 1 1    2    2   71 o   54.133   15.482   7.8101   6.0016   10.150   9.3038   6.1422   7.8543   57.867   23.000   50.400   20.730 7.467354 30.96310 
1 1 1    2    2   72 o   63.360   17.451   14.337   7.7529   17.269   9.7034   9.1616   12.892   69.637   24.277   57.083   25.076 12.55410 34.90240 
1 1 1    2    2   73 o   45.499   13.950   1.2545   5.5970   11.105   9.0860  -4.7692   7.1051   56.904   22.694   34.093   16.230 22.81079 27.90053 
1 1 1    2    3    0 o  368.203   20.263  326.748   48.625  326.748   48.625  326.748   48.625  368.203   28.657  368.203   28.657 -0.000000 0.000000 
1 1 1    2    3    1 f   96.242   7.6277   21.727   3.4308   21.627   4.8509   21.827   4.8528   96.019   10.810   96.464   10.764 -0.4452133 15.25531 
1 1 1    2    3    2 o  247.870   13.602  146.378   15.559  172.757   22.011  120.035   21.997  270.624   17.403  225.115   20.908 45.50961 27.20324 
1 1 1    2    3    3 o  159.797   10.090   60.023   7.3825   60.003   11.670   60.036   9.5324  159.682   15.637  159.913   12.755 -0.2314453 20.17943 
1 1 1    2    3    4 o   52.872   8.7390   7.1066   2.0772   5.1463   3.6516   8.0443   2.5256   47.133   14.848   58.612   9.2201 -11.47889 17.47796 
1 1 1    2    3    5 o  410.193   28.638  404.808   51.778  401.081   63.409  412.268   89.701  409.624   33.122  410.762   46.727 -1.138214 57.27538 
1 1 1    2    3    6 o  254.821   19.358  166.855   20.551  189.650   25.169  121.267   35.594  284.017   18.962  225.626   33.756 58.39041 38.71700 
1 1 1    2    3    7 o  425.376   22.088  428.875   43.879  447.511   62.058  410.243   62.052  434.749   30.543  416.003   31.916 18.74588 44.17622 
1 1 1    2    3    8 o  159.555   13.195   61.585   9.1108   65.016   11.152   54.698   15.800  166.588   14.323  152.523   22.165 14.06474 26.39036 
1 1 1    2    3    9 o  210.334   12.956  104.169   12.662   91.307   17.901  117.050   17.913  197.240   19.419  223.427   17.155 -26.18739 25.91132 
1 1 1    2    3   10 o  423.707   23.265  425.543   45.988  454.253   65.040  396.838   65.035  438.204   31.759  409.210   34.006 28.99390 46.52978 
1 1 1    2    3   11 o  596.715   39.660  862.586  104.373  851.325  127.825  885.112  180.795  594.982   45.969  598.448   64.642 -3.466370 79.32092 
1 1 1    2    3   12 o  212.652   11.580  107.725   11.176  113.690   14.431   98.786   17.666  220.238   14.021  205.067   18.433 15.17105 23.15939 
1 1 1    2    3   13 f  255.921   14.091  154.667   16.761  136.044   23.692  173.325   23.714  240.336   21.093  271.505   18.689 -31.16872 28.18162 
1 1 1    2    3   15 o  279.025   31.996  186.631   41.724   0.0000   0.0000  186.631   41.724  ?   ?   279.025   31.996      ?      ? 
1 1 1    2    3   16 o  401.230   26.359  377.407   47.246  347.366   57.866  437.479   81.828  379.899   32.592  422.562   41.435 -42.66251 52.71763 
1 1 1    2    3   17 o  405.560   25.405  396.577   41.625  394.516   48.067  402.757   83.232  407.153   25.261  403.968   44.086 3.185028 50.81044 
1 1 1    2    3   18 o  231.437   12.513  127.600   13.179  132.697   17.017  119.961   20.833  237.524   15.330  225.351   19.781 12.17273 25.02601 
1 1 1    2    3   19 o  648.805   47.428  1106.07  134.119  1118.48  164.254  1081.25  232.320  667.632   52.643  629.978   78.908 37.65375 94.85597 
1 1 1    2    3   20 f  383.642   27.697  375.547   45.405  404.841   55.612  316.974   78.637  410.977   28.954  356.306   47.224 54.67032 55.39330 
1 1 1    2    3   21 o  263.034   21.397  164.246   26.303  164.246   26.303   0.0000   0.0000  263.034   21.397  ?   ?       ?      ? 
1 1 1    2    3   22 o  807.454   81.492  2088.51  307.477  2058.72  434.853  2118.30  434.823  799.551  116.373  815.358  114.109 -15.80719 162.9839 
1 1 1    2    3   23 o  362.532   20.240  315.298   34.004  361.451   48.095  269.173   48.081  389.763   26.403  335.301   30.683 54.46149 40.47959 
1 1 1    2    3   24 o  233.358   16.873  128.654   17.369  128.007   21.285  129.943   30.047  232.995   19.547  233.721   27.508 -0.7261200 33.74602 
1 1 1    2    3   25 o  317.082   19.770  232.700   25.631  227.097   29.604  249.474   51.223  310.626   20.393  323.538   33.876 -12.91183 39.54069 
1 1 1    2    3   26 o  230.042   12.278  123.217   12.978  119.058   16.753  129.460   20.524  225.307   15.910  234.778   18.705 -9.471436 24.55631 
1 1 1    2    3   27 o  144.125   10.339   48.826   6.9229   55.303   9.8407   42.479   9.7409  153.643   13.705  134.607   15.484 19.03568 20.67800 
1 1 1    2    3   28 o  246.435   12.587  139.428   14.300  124.671   18.457  161.586   22.616  230.518   17.132  262.353   18.446 -31.83519 25.17446 
1 1 1    2    3   29 o  971.269   54.712  2389.64  248.014  2256.99  350.747  2522.28  350.743  942.046   79.667  1000.49   75.012 -58.44489 109.4245 
1 1 1    2    3   30 o  445.349   23.831  471.570   49.504  438.603   70.040  504.479   69.979  429.521   34.891  461.177   32.468 -31.65677 47.66119 
1 1 1    2    3   31 o   68.344   14.169   8.7043   3.7008   15.625   9.7509   7.5396   4.0001   80.912   24.035   55.777   15.013 25.13438 28.33832 
1 1 1    2    3   32 o  464.765   33.265  513.034   72.255   0.0000   0.0000  513.034   72.255  ?   ?   464.765   33.265      ?      ? 
1 1 1    2    3   33 f  718.349   84.995  1366.56  285.345   0.0000   0.0000  1366.56  285.345  ?   ?   718.349   84.995      ?      ? 
1 1 1    2    3   34 o  417.095   27.107  400.878   50.662  359.891   62.077  482.626   87.670  387.782   34.253  446.408   42.022 -58.62576 54.21362 
1 1 1    2    3   35 o  418.408   24.629  414.415   41.762  409.058   48.175  430.614   83.771  415.657   24.800  421.159   42.560 -5.501648 49.25857 
1 1 1    2    3   36 o  313.995   17.227  206.844   22.723  177.306   26.152  297.841   45.902  274.133   20.413  353.858   27.756 -79.72525 34.45440 
1 1 1    2    3   37 o  445.218   21.570  464.792   44.254  424.666   57.120  525.045   69.994  422.100   28.955  468.335   31.979 -46.23438 43.13987 
1 1 1    2    3   38 o  342.247   19.490  280.036   31.053  308.147   43.949  252.009   43.883  359.790   26.137  324.704   28.918 35.08670 38.97911 
1 1 1    2    3   39 o  175.847   11.023   72.214   8.8874   75.411   14.134   70.124   11.430  178.940   16.901  172.754   14.157 6.185425 22.04667 
1 1 1    2    3   40 o  237.036   11.955  132.987   13.179  147.811   18.625  118.124   18.650  250.436   15.913  223.635   17.844 26.80135 23.90901 
1 1 1    2    3   41 o  181.816   10.211   77.993   8.6696   82.202   12.336   73.886   12.186  186.699   14.138  176.934   14.737 9.765778 20.42268 
1 1 1    2    3   42 o  244.719   12.321  142.123   14.071  151.376   19.950  132.963   19.850  252.760   16.888  236.678   17.946 16.08131 24.64292 
1 1 1    2    3   43 o  128.092   10.696   39.478   6.2156   42.123   8.0541   35.583   9.7736  133.696   12.890  122.489   17.073 11.20628 21.39281 
1 1 1    2    3   44 o  159.247   11.211   61.942   8.0150   68.506   10.369   52.198   12.634  170.413   13.019  148.082   18.255 22.33154 22.42215 
1 1 1    2    3   45 o  126.672   12.615   42.922   6.5073   54.985   8.4489   25.329   10.203  152.702   11.839  100.641   22.281 52.06185 25.23057 
1 1 1    2    3   46 o  219.649   11.299  115.081   11.573  124.023   16.390  106.190   16.343  228.329   15.359  210.970   16.576 17.35910 22.59754 
1 1 1    2    3   47 o  243.452   12.516  142.672   14.113  164.425   19.983  121.027   19.933  262.516   16.288  224.388   19.008 38.12799 25.03201 
1 1 1    2    3   48 o   68.314   14.910   10.867   4.6401   11.574   9.8569   10.666   5.2592   71.098   24.486   65.529   17.020 5.568825 29.82018 
1 1 1    2    3   49 o  147.679   18.057   55.127   12.095   61.710   16.958   48.309   17.256  158.626   22.874  136.732   27.947 21.89435 36.11483 
1 1 1    2    3   50 o  342.568   27.060  329.993   35.542  344.421   41.034  286.655   71.118  372.853   23.548  312.283   48.729 60.57077 54.12089 
1 1 1    2    3   51 o   49.913   14.637   1.5032   5.0086   0.1248   5.8268   5.4036   9.8015   40.499   17.322   59.328   23.599 -18.82851 29.27379 
1 1 1    2    3   52 o  148.126   15.846   54.284   9.8254   53.303   11.785   56.520   17.794  148.552   16.975  147.699   26.763 0.8525696 31.69262 
1 1 1    2    3   53 o   59.802   14.080   7.3510   4.8283   3.0388   6.3635   13.202   7.4123   47.396   18.961   72.208   20.820 -24.81205 28.16013 
1 1 1    2    3   54 o  106.307   13.142   28.459   6.2659   21.420   8.7736   35.785   8.9516   91.114   21.031  121.501   15.764 -30.38670 26.28315 
1 1 1    2    3   55 o   76.364   16.733   14.973   6.3312   15.702   7.5585   13.257   11.590   78.153   20.456   74.575   26.487 3.577057 33.46659 
1 1 1    2    3   56 o   84.062   16.205   17.335   5.8939   16.311   6.7902   20.465   11.870   80.049   18.518   88.074   26.598 -8.025162 32.40996 
1 1 1    2    3   57 o   98.180   17.552   26.940   8.1129   31.702   10.090   18.233   13.645  111.803   20.047   84.557   28.818 27.24644 35.10493 
1 1 1    2    3   58 o   50.433   15.453   0.5110   6.5363   1.5631   8.1300  -1.4122   10.992   48.921   20.674   51.945   22.972 -3.024761 30.90572 
1 1 1    2    3   59 o   58.359   15.764   6.6803   5.9897   6.2716   8.4791   7.0873   8.4624   57.618   22.232   59.100   22.355 -1.482128 31.52807 
1 1 1    2    3   60 o  105.562   17.737   32.082   8.6634   21.896   14.978   37.204   10.620   89.090   30.193  122.034   18.621 -32.94325 35.47359 
1 1 1    2    3   61 o   43.261   13.409  -0.5356   4.9799  -0.8460   6.1988   0.0295   8.3631   39.570   17.386   46.951   20.420 -7.380936 26.81857 
1 1 1    2    3   62 o   58.986   15.508   7.7878   5.7085   8.1846   7.8642   7.3458   8.2996   59.522   21.730   58.450   22.132 1.072048 31.01586 
1 1 1    2    3   63 f   80.788   18.568   17.770   7.7208   19.512   13.417   16.908   9.4406   83.075   28.570   78.501   23.725 4.574303 37.13586 
1 1 1    2    3   64 o   71.441   19.258   12.693   8.9575   14.686   12.678   10.707   12.658   74.459   27.524   68.424   26.944 6.034538 38.51654 
1 1 1    2    3   65 o   50.072   15.440   1.4498   6.2889   1.3564   7.4757   1.6761   11.632   45.639   19.573   54.505   23.885 -8.866859 30.88012 
1 1 1    2    3   66 o   45.872   14.515  -2.3679   6.0792  -5.3930   7.4793   3.5215   10.436   37.242   17.393   54.502   23.243 -17.25963 29.03024 
1 1 1    2    3   67 o   86.124   18.556   21.347   8.2467   14.506   10.615   31.764   13.098   70.920   25.331  101.327   27.122 -30.40749 37.11168 
1 1 1    2    3   68 o   57.822   17.620   6.2366   7.4110   6.7221   16.654   6.1167   8.2755   62.543   27.931   53.101   21.489 9.442474 35.24044 
1 1 1    2    3   69 o   78.555   28.921   20.842   13.973   0.0000   0.0000   20.842   13.973  ?   ?    78.555   28.921      ?      ? 
1 1 1    2    3   70 o   43.639   13.583  -0.4733   5.7949   6.2212   7.9805  -7.9401   8.4282   51.353   20.982   35.926   17.256 15.42704 27.16670 
1 1 1    2    3   71 o   53.200   16.809   5.1355   7.8866   7.8584   14.703   4.0358   9.3446   57.455   25.903   48.946   21.429 8.509190 33.61827 
1 1 1    2    3   72 o   56.016   17.442   5.9906   8.4278   17.679   14.572   0.1161   10.331   66.401   27.850   45.631   21.006 20.77091 34.88320 
1 1 1    2    3   73 o   62.708   16.779   14.710   6.7046   13.204   8.9543   16.632   10.115   60.270   22.948   65.147   24.485 -4.876789 33.55761 
1 1 1    2    4    0 o  813.991   40.220  1619.05  213.954  1619.05  213.954  1619.05  213.954  813.991   56.880  813.991   56.880 -0.000000 0.000000 
1 1 1    2    4    1 o  342.826   18.377  282.466   28.733  352.659   40.647  212.360   40.621  386.607   22.496  299.044   29.065 87.56360 36.75437 
1 1 1    2    4    2 o  455.213   22.558  500.658   46.574  459.167   73.642  528.315   60.126  438.130   35.965  472.295   27.240 -34.16553 45.11623 
1 1 1    2    4    3 o  591.878   27.579  831.525   75.044  884.269  118.654  796.362   96.882  606.233   41.879  577.523   35.895 28.71082 55.15711 
1 1 1    2    4    4 o  419.427   29.198  430.035   53.266  397.462   92.271  446.315   65.233  405.208   48.724  433.647   32.188 -28.43921 58.39584 
1 1 1    2    4    5 o  229.706   18.285  131.907   17.830  145.301   21.834  105.094   30.892  248.759   18.781  210.652   31.379 38.10725 36.57018 
1 1 1    2    4    6 o  594.258   29.739  851.417   81.361  686.410  115.056  1016.46  115.068  534.839   46.030  653.677   37.666 -118.8383 59.47703 
1 1 1    2    4    7 o  577.266   31.276  799.865   83.802  694.598  118.506  905.159  118.521  538.243   47.111  616.289   41.150 -78.04584 62.55173 
1 1 1    2    4    8 o  867.102   46.827  1856.84  188.039  1582.90  265.920  2130.81  265.935  799.500   71.169  934.704   60.878 -135.2040 93.65417 
1 1 1    2    4    9 o  456.950   25.132  496.162   53.611  469.326   75.817  522.998   75.817  444.384   36.506  469.517   34.552 -25.13263 50.26450 
1 1 1    2    4   10 o  471.815   33.590  558.488   68.000  477.620  117.758  598.945   83.291  441.886   57.021  501.744   35.520 -59.85779 67.17957 
1 1 1    2    4   11 o  539.709   42.581  720.005  107.388  733.011  151.867  707.000  151.871  544.866   59.639  534.553   60.791 10.31299 85.16106 
1 1 1    2    4   12 o  504.893   35.624  652.911   76.589  540.419  132.624  709.198   93.813  465.529   60.958  544.257   36.882 -78.72818 71.24754 
1 1 1    2    4   13 o  601.402   51.453  945.236  142.876  1096.89  202.047  793.549  202.068  655.368   65.967  547.435   78.981 107.9323 102.9057 
1 1 1    2    4   15 o  343.604   24.185  289.042   36.248  297.335   44.403  272.477   62.756  353.169   26.902  334.040   40.199 19.12909 48.37037 
1 1 1    2    4   16 o  578.697   29.968  843.403   77.415  570.324  109.455  1116.74  109.508  477.685   49.029  679.709   34.473 -202.0243 59.93526 
1 1 1    2    4   17 o  199.681   11.072   92.830   10.168   88.585   13.124   99.202   16.081  194.132   14.465  205.230   16.766 -11.09804 22.14346 
1 1 1    2    4   18 o  578.320   28.769  819.745   75.903  835.120   97.992  796.685  120.009  587.957   35.662  568.684   45.154 19.27301 57.53852 
1 1 1    2    4   19 o   82.043   7.9159   12.978   2.7252   9.7202   3.1251   23.317   5.5678   64.397   10.384   99.689   11.951 -35.29280 15.83182 
1 1 1    2    4   20 o  240.425   19.455  136.869   21.860  136.869   21.860   0.0000   0.0000  240.425   19.455  ?   ?       ?      ? 
1 1 1    2    4   21 o  577.761   42.253  873.661  106.085  892.760  129.924  835.458  183.752  598.628   46.440  556.895   70.602 41.73340 84.50606 
1 1 1    2    4   22 o  254.146   14.568  152.711   17.283  144.503   24.442  160.920   24.443  247.235   21.153  261.057   20.035 -13.82204 29.13500 
1 1 1    2    4   23 o  308.462   15.323  221.302   21.775  204.395   28.106  246.686   34.439  294.173   20.444  322.751   22.832 -28.57874 30.64685 
1 1 1    2    4   24 o  358.106   19.852  304.450   33.209  293.982   46.965  314.918   46.965  351.851   28.561  364.361   27.580 -12.51004 39.70416 
1 1 1    2    4   25 o  532.421   28.247  679.717   70.123  627.474   99.162  731.973   99.175  511.424   41.488  553.419   38.345 -41.99481 56.49405 
1 1 1    2    4   26 o  527.306   26.185  665.338   63.031  677.846   81.373  646.575   99.660  534.653   32.566  519.959   41.012 14.69305 52.36910 
1 1 1    2    4   27 o  547.533   32.913  706.903   80.051  767.833  138.660  676.442   98.040  562.646   52.732  532.420   39.401 30.22644 65.82619 
1 1 1    2    4   28 o  252.193   14.564  149.607   17.145  141.224   24.247  157.990   24.246  245.081   21.169  259.306   20.007 -14.22514 29.12754 
1 1 1    2    4   29 o  1068.56   81.051  3213.59  370.948  3347.65  454.335  2945.55  642.451  1139.95   85.280  997.170  137.857 142.7785 162.1022 
1 1 1    2    4   30 o  656.721   48.878  1129.55  136.123  1229.67  166.719  929.337  235.763  712.642   50.058  600.801   83.966 111.8411 97.75510 
1 1 1    2    4   31 o  609.062   68.229  924.898  194.212  924.898  194.212   0.0000   0.0000  609.062   68.229  ?   ?       ?      ? 
1 1 1    2    4   32 o  511.644   56.933  643.167  136.137  643.167  136.137   0.0000   0.0000  511.644   56.933  ?   ?       ?      ? 
1 1 1    2    4   34 o  279.887   23.897  187.952   31.152  172.633   44.446  202.743   43.674  268.320   35.444  291.454   32.064 -23.13458 47.79469 
1 1 1    2    4   35 o  200.474   15.834   96.468   14.027   99.868   17.405   90.169   23.691  205.980   18.081  194.969   26.000 11.01178 31.66876 
1 1 1    2    4   36 o  256.279   14.475  157.708   16.813  167.844   21.732  142.593   26.537  267.063   17.412  245.495   23.129 21.56746 28.95051 
1 1 1    2    4   37 o  128.355   11.471   40.444   6.5245   45.610   8.3678   32.433   10.420  139.424   12.842  117.286   19.010 22.13802 22.94125 
1 1 1    2    4   38 o  420.942   28.029  421.829   52.497  399.143   64.306  467.155   90.897  406.808   33.824  435.076   44.703 -28.26788 56.05732 
1 1 1    2    4   39 o  297.595   15.306  211.340   20.762  201.752   32.816  217.740   26.809  291.459   24.091  303.732   18.886 -12.27243 30.61203 
1 1 1    2    4   40 o  212.297   11.167  106.645   11.037   96.479   15.667  116.661   15.551  202.118   16.585  222.475   14.957 -20.35611 22.33336 
1 1 1    2    4   41 o  156.420   9.7239   57.874   7.0659   65.397   10.026   50.449   9.9600  166.639   12.873  146.200   14.577 20.43843 19.44771 
1 1 1    2    4   42 o  274.659   15.782  180.741   20.227  192.785   28.697  168.851   28.514  283.960   21.624  265.358   22.993 18.60214 31.56355 
1 1 1    2    4   43 o  421.677   21.204  437.726   40.751  421.888   64.429  448.286   52.612  413.011   33.380  430.344   26.159 -17.33267 42.40885 
1 1 1    2    4   44 o   51.434   11.537   2.4460   3.7446   12.895   6.1539  -3.6975   4.7186   72.208   18.232   30.659   14.143 41.54977 23.07492 
1 1 1    2    4   45 o   96.921   11.519   22.837   5.0049   23.543   6.5697   21.862   7.7262   99.695   14.100   94.146   18.218 5.549118 23.03757 
1 1 1    2    4   46 o  242.916   13.936  145.878   15.231  160.017   19.726  125.003   23.969  259.018   16.295  226.814   22.612 32.20395 27.87151 
1 1 1    2    4   47 o  253.673   19.796  162.276   21.889  167.298   26.871  152.370   37.738  262.530   21.901  244.816   32.983 17.71367 39.59248 
1 1 1    2    4   48 o   63.966   13.378   3.5129   4.2287   22.057   9.4607  -1.1171   4.7273   93.383   22.033   34.548   15.181 58.83480 26.75671 
1 1 1    2    4   49 o  131.815   16.629   41.698   10.244   0.0000   0.0000   41.698   10.244  ?   ?   131.815   16.629      ?      ? 
1 1 1    2    4   50 o   38.908   12.071  -1.1075   4.1902  -0.0113   5.4362  -2.7119   6.5770   39.000   16.707   38.816   17.428 0.1841888 24.14253 
1 1 1    2    4   51 o  179.882   11.842   79.509   9.6653   84.537   12.533   72.129   15.183  187.842   14.276  171.922   18.897 15.91997 23.68302 
1 1 1    2    4   52 o  106.141   14.443   25.628   6.7777   19.586   8.2708   37.982   11.826   87.767   20.529  124.515   20.322 -36.74826 28.88687 
1 1 1    2    4   53 o   85.159   15.652   18.559   5.6403   18.726   6.4380   18.008   11.698   86.628   16.505   83.691   26.599 2.936630 31.30357 
1 1 1    2    4   54 o   80.788   15.597   18.698   6.5193   24.185   7.8035   6.0179   11.862   98.124   17.666   63.451   25.710 34.67278 31.19434 
1 1 1    2    4   55 o  150.624   17.730   62.673   10.615   49.053   19.344   68.541   12.698  133.198   31.559  168.050   16.167 -34.85231 35.45906 
1 1 1    2    4   56 o   74.469   16.844   14.271   7.1135   19.424   8.9292   5.3212   11.769   86.510   22.027   62.427   25.490 24.08321 33.68896 
1 1 1    2    4   57 o   69.955   15.638   11.780   6.0119   17.382   8.6152   6.4624   8.3935   81.825   22.037   58.086   22.193 23.73932 31.27534 
1 1 1    2    4   58 o  200.457   16.245   94.142   14.549  138.929   25.420   72.323   17.743  232.575   23.387  168.338   22.553 64.23741 32.48969 
1 1 1    2    4   59 o  136.113   14.590   48.896   8.6005   60.247   11.629   35.191   12.778  157.154   15.834  115.072   24.510 42.08206 29.17989 
1 1 1    2    4   60 o  142.436   13.202   50.851   8.7713   52.322   12.169   49.261   12.654  144.934   17.966  139.939   19.349 4.993988 26.40323 
1 1 1    2    4   61 o  125.116   17.843   45.329   9.3565   50.215   11.264   34.455   16.803  142.161   16.955  108.071   31.401 34.08984 35.68564 
1 1 1    2    4   62 o   55.539   14.328   3.2393   5.6583  -5.6010   7.5927   14.281   8.4857   37.948   17.656   73.129   22.570 -35.18155 28.65501 
1 1 1    2    4   63 o  128.667   17.269   43.567   9.5256   50.066   16.992   40.589   11.503  131.633   28.451  125.701   19.581 5.932274 34.53808 
1 1 1    2    4   64 o   62.847   18.291   6.8829   8.6885   9.5426   12.531   4.4202   12.058   66.510   26.608   59.183   25.104 7.327549 36.58123 
1 1 1    2    4   65 o   79.272   21.225   17.484   8.0199   17.484   8.0199   0.0000   0.0000   79.272   21.225  ?   ?       ?      ? 
1 1 1    2    4   66 o   83.071   22.158   19.422   8.7611   19.422   8.7611   0.0000   0.0000   83.071   22.158  ?   ?       ?      ? 
1 1 1    2    4   67 o   76.044   15.643   15.396   6.3877   7.1392   8.4290   26.534   9.7901   55.991   22.006   96.098   22.239 -40.10699 31.28681 
1 1 1    2    4   68 o  139.824   20.370   64.115   12.413   65.014   15.338   62.407   21.134  150.936   21.744  128.712   34.452 22.22423 40.74001 
1 1 1    2    4   69 o   79.023   19.703   22.015   9.3571   14.437   18.265   24.712   10.896   69.950   30.299   88.096   25.195 -18.14642 39.40604 
1 1 1    2    4   70 o   58.401   17.390   6.0531   7.9905  -1.0726   9.8915   19.437   13.556   44.863   20.616   71.939   28.012 -27.07563 34.78098 
1 1 1    2    4   71 o   47.893   15.772  -0.4705   8.3288  -2.1236   10.584   2.2177   13.498   44.263   20.678   51.524   23.822 -7.260860 31.54452 
1 1 1    2    4   72 o   45.583   14.122   2.7448   5.9292   5.8984   7.6222  -2.0875   9.4352   49.105   20.331   42.061   19.607 7.043964 28.24468 
1 1 1    2    4   73 o   48.776   14.624   6.1607   6.0391   9.3150   7.6863   1.0725   9.7622   53.444   21.011   44.109   20.346 9.335121 29.24817 
1 1 1    2    5    0 o  195.672   11.690   91.522   14.870   91.522   14.870   91.522   14.870  195.672   16.532  195.672   16.532 -0.000000 0.000000 
1 1 1    2    5    1 o  336.820   17.155  267.097   27.001  271.907   38.187  262.288   38.183  339.876   24.041  333.765   24.479 6.110657 34.30980 
1 1 1    2    5    2 o  199.034   11.641   97.610   10.239   74.908   16.186  112.753   13.220  178.629   19.389  219.439   12.890 -40.80966 23.28298 
1 1 1    2    5    3 o  262.537   14.260  161.850   17.496  162.761   24.740  160.938   24.745  263.280   20.107  261.794   20.225 1.485870 28.51910 
1 1 1    2    5    4 o  232.945   13.853  127.617   15.036  116.177   21.259  139.070   21.270  222.432   20.450  243.460   18.694 -21.02791 27.70682 
1 1 1    2    5    5 o  175.890   13.413   71.089   10.495   77.459   18.167   67.897   12.858  181.581   21.408  170.199   16.165 11.38141 26.82567 
1 1 1    2    5    6 o  580.269   40.980  832.158  103.529  858.445  126.793  779.575  179.329  598.672   45.317  561.867   68.293 36.80524 81.96075 
1 1 1    2    5    7 o  257.693   12.872  155.933   15.489  148.575   21.901  163.296   21.908  251.581   18.627  263.805   17.769 -12.22325 25.74344 
1 1 1    2    5    8 o  113.716   8.5157   30.299   4.5207   28.632   6.3870   31.973   6.3996  110.573   12.360  116.858   11.718 -6.285652 17.03143 
1 1 1    2    5    9 o  163.142   13.012   62.627   9.3390   62.837   11.433   62.204   16.189  163.701   14.944  162.583   21.306 1.118027 26.02463 
1 1 1    2    5   10 o  310.915   21.525  232.969   29.223  219.352   50.591  239.788   35.800  303.073   35.717  318.757   24.032 -15.68384 43.04942 
1 1 1    2    5   11 o  684.303   51.729  1266.11  149.289  1036.16  258.553  1381.12  182.849  619.473   89.307  749.133   52.227 -129.6600 103.4570 
1 1 1    2    5   12 o  108.727   16.838   27.801   8.5562   0.0000   0.0000   27.801   8.5562  ?   ?   108.727   16.838      ?      ? 
1 1 1    2    5   14 f  329.680   23.193  270.422   32.972  286.999   40.395  237.328   57.075  347.406   24.880  311.953   39.148 35.45355 46.38527 
1 1 1    2    5   15 f  172.035   10.878   69.956   8.6823   79.688   12.285   60.245   12.272  184.125   14.277  159.944   16.417 24.18143 21.75675 
1 1 1    2    5   16 o  386.040   19.932  366.086   34.304  489.657   48.545  242.830   48.483  454.440   22.857  317.640   32.660 136.7998 39.86359 
1 1 1    2    5   17 o  446.134   33.939  531.549   62.849  600.464   76.975  393.732  108.854  499.752   32.957  392.517   59.339 107.2348 67.87753 
1 1 1    2    5   18 o  340.193   29.343  317.045   39.150  369.783   47.956  211.659   67.791  394.027   26.042  286.358   52.593 107.6691 58.68695 
1 1 1    2    5   19 o  262.197   22.335  167.276   27.078  194.273   38.277  140.234   38.310  284.250   28.814  240.143   34.135 44.10767 44.67011 
1 1 1    2    5   20 o  386.227   31.331  370.667   56.461  393.738   79.848  347.595   79.849  399.009   42.819  373.445   45.751 25.56409 62.66256 
1 1 1    2    5   21 o  125.634   10.619   34.447   5.9752   47.159   10.441   28.256   7.2864  141.597   15.777  109.671   14.216 31.92561 21.23704 
1 1 1    2    5   22 o  706.314   65.062  1516.24  179.544  1115.08  310.954  1716.87  219.904  590.176  116.873  822.451   57.211 -232.2746 130.1243 
1 1 1    2    5   23 o   88.067   12.116   22.586   4.5417   8.7028   7.7977   29.713   5.5873   63.506   21.784  112.627   10.615 -49.12047 24.23238 
1 1 1    2    5   24 o  1071.43   62.071  3027.21  308.569  2654.52  436.370  3399.94  436.394  997.003   93.652  1145.86   81.490 -148.8589 124.1419 
1 1 1    2    5   25 o  384.946   21.049  351.411   37.737  384.672   53.379  318.174   53.359  403.427   28.311  366.466   31.155 36.96097 42.09716 
1 1 1    2    5   26 o  418.623   26.229  403.297   49.035  372.913   60.041  464.154   84.971  396.654   32.389  440.593   41.266 -43.93912 52.45880 
1 1 1    2    5   27 o  420.866   22.926  419.880   45.092  423.281   63.781  416.483   63.757  422.593   32.294  419.139   32.548 3.453827 45.85116 
1 1 1    2    5   28 o  335.121   25.009  286.272   35.247  320.520   43.188  217.967   60.992  368.745   25.061  301.497   43.286 67.24811 50.01747 
1 1 1    2    5   29 o  478.084   29.351  540.292   56.995  533.186   65.814  561.606  113.982  474.694   29.666  481.475   50.654 -6.781647 58.70232 
1 1 1    2    5   30 f  219.175   14.951  108.181   14.613   98.121   17.810  128.904   25.562  204.402   18.644  233.947   23.379 -29.54500 29.90291 
1 1 1    2    5   31 o  254.000   20.746  151.719   24.627   0.0000   0.0000  151.719   24.627  ?   ?   254.000   20.746      ?      ? 
1 1 1    2    5   32 o  463.421   51.736  526.422  112.051   0.0000   0.0000  526.422  112.051  ?   ?   463.421   51.736      ?      ? 
1 1 1    2    5   33 o  592.846   36.075  881.852   85.017  899.008   98.184  830.445  169.956  612.881   34.279  572.811   63.486 40.07013 72.14947 
1 1 1    2    5   34 o  210.865   14.380  102.811   12.479  100.647   14.471  109.089   24.648  207.043   14.955  214.688   24.565 -7.644623 28.75946 
1 1 1    2    5   35 o  527.071   26.220  673.826   63.019  689.661   81.357  650.073   99.643  536.770   32.431  517.371   41.210 19.39874 52.44098 
1 1 1    2    5   36 o  460.327   23.836  449.605   46.316  381.648   53.446  654.534   92.812  400.289   28.569  520.364   38.164 -120.0743 47.67294 
1 1 1    2    5   37 o  708.600   44.856  1268.89  128.594  1237.63  148.472  1362.77  257.267  708.875   44.816  708.326   77.716 0.5486450 89.71183 
1 1 1    2    5   38 o  117.863   11.521   32.760   6.3224   36.233   8.9820   29.349   8.9010  124.107   15.486  111.619   17.063 12.48888 23.04261 
1 1 1    2    5   39 o  429.342   21.908  451.144   42.579  409.460   67.341  478.908   54.959  410.774   35.078  447.909   26.255 -37.13562 43.81516 
1 1 1    2    5   40 o  161.093   9.8322   61.182   7.3988   60.285   10.580   62.041   10.351  159.912   14.156  162.274   13.649 -2.362595 19.66435 
1 1 1    2    5   41 f  230.803   12.959  124.807   13.795  116.684   17.882  136.746   21.679  221.865   17.246  239.741   19.348 -17.87637 25.91882 
1 1 1    2    5   42 o  193.481   10.362   88.434   9.3631   92.859   13.307   84.095   13.177  198.317   14.357  188.645   14.946 9.672531 20.72489 
1 1 1    2    5   43 o  258.782   12.616  159.449   15.219  146.568   21.530  172.313   21.516  248.137   18.566  269.427   17.088 -21.29015 25.23254 
1 1 1    2    5   44 o  107.735   9.7452   27.532   4.8893   25.911   7.0759   29.013   6.7636  104.626   14.471  110.844   13.056 -6.217430 19.49048 
1 1 1    2    5   45 o  230.035   12.963  126.197   13.697  123.958   17.738  129.503   21.557  228.006   16.646  232.064   19.877 -4.057953 25.92641 
1 1 1    2    5   46 o  100.954   11.427   25.368   5.0865   28.665   6.7249   20.961   7.7759  110.021   13.079   91.888   18.742 18.13331 22.85436 
1 1 1    2    5   47 o  252.641   14.857  155.470   17.370  130.975   24.509  180.193   24.622  231.819   22.622  273.462   19.266 -41.64270 29.71397 
1 1 1    2    5   48 o   72.159   12.421   14.307   5.8760 -15.2609   11.494   24.768   6.8370   42.323   20.282  101.996   14.343 -59.67339 24.84109 
1 1 1    2    5   49 o  138.047   15.793   52.120   8.9399   62.501   11.235   34.197   14.761  161.717   14.865  114.377   27.870 47.34001 31.58677 
1 1 1    2    5   50 f  147.878   12.496   49.812   7.8782   45.622   9.2349   61.013   15.099  138.056   14.313  157.701   20.486 -19.64430 24.99110 
1 1 1    2    5   51 o   38.715   12.214  -2.8652   4.5887   0.2037   6.5170  -5.8826   6.4621   42.862   18.326   34.567   16.151 8.294727 24.42732 
1 1 1    2    5   52 o   69.635   14.917   11.925   4.8807   12.078   5.6670   11.485   9.6043   69.303   17.495   69.968   24.166 -0.6648941 29.83371 
1 1 1    2    5   53 o   67.825   15.927   11.084   5.8793   9.7962   7.9127   12.672   8.7847   64.307   21.945   71.343   23.090 -7.035713 31.85455 
1 1 1    2    5   54 o  140.410   19.178   53.096   12.157   41.062   17.782   63.656   16.657  121.707   31.135  159.113   22.400 -37.40636 38.35606 
1 1 1    2    5   55 o   83.545   16.400   19.685   7.1536   7.2844   12.512   25.708   8.7194   66.369   26.575  100.720   19.225 -34.35104 32.79994 
1 1 1    2    5   56 o   55.175   15.248   4.9260   5.7964   2.1586   8.3676   7.4790   8.0371   50.806   21.190   59.544   21.932 -8.738434 30.49666 
1 1 1    2    5   57 f  127.624   11.232   38.073   6.5394   32.701   8.2248   47.305   10.782  116.105   15.158  139.144   16.581 -23.03822 22.46488 
1 1 1    2    5   58 o   76.958   14.599   14.838   5.2842   12.426   6.7657   18.610   8.4616   69.558   19.840   84.359   21.422 -14.80137 29.19867 
1 1 1    2    5   59 o  187.258   12.610   87.779   10.687   91.512   13.731   82.043   17.022  193.813   15.160  180.702   20.155 13.11092 25.22016 
1 1 1    2    5   60 f   53.378   13.911   5.6610   4.6705   2.9569   6.3509   8.8458   6.8925   46.544   18.829   60.212   20.482 -13.66837 27.82114 
1 1 1    2    5   61 o  125.868   11.738   37.266   6.7214   29.911   8.4414   50.007   11.110  109.852   16.442  141.883   16.755 -32.03146 23.47518 
1 1 1    2    5   62 f  105.546   19.793   31.923   10.581   46.622   15.269   18.342   14.676  129.323   26.161   81.769   29.710 47.55434 39.58655 
1 1 1    2    5   63 o   55.100   23.963   1.5496   11.516   0.0000   0.0000   1.5496   11.516  ?   ?    55.100   23.963      ?      ? 
1 1 1    2    5   64 o   54.991   22.665   4.6837   9.4140   4.6837   9.4140   0.0000   0.0000   54.991   22.665  ?   ?       ?      ? 
1 1 1    2    5   65 o  124.968   19.583   41.252   11.437   41.252   11.437   0.0000   0.0000  124.968   19.583  ?   ?       ?      ? 
1 1 1    2    5   66 f   39.002   12.822  -5.4276   5.5712  -2.2594   8.5653  -7.7509   7.3347   43.467   19.668   34.536   16.455 8.931049 25.64317 
1 1 1    2    5   67 o  115.682   15.189   39.597   7.5480   44.839   9.5600   30.922   12.299  131.876   15.511   99.488   26.120 32.38724 30.37823 
1 1 1    2    5   68 o   63.736   15.961   9.1990   6.9862   20.644   9.9255  -2.0388   9.8353   81.942   24.227   45.530   20.785 36.41189 31.92156 
1 1 1    2    5   69 o   51.111   15.686   0.5732   7.9962   10.654   10.082 -16.5227   13.129   61.145   24.056   41.077   20.137 20.06790 31.37150 
1 1 1    2    5   70 f   48.560   14.213   3.9698   5.8601   9.4496   7.4023  -5.2303   9.5914   56.659   21.014   40.461   19.144 16.19810 28.42684 
1 1 1    2    5   71 o   79.337   17.152   22.558   7.5532   13.816   10.884   30.680   10.491   62.856   24.910   95.818   23.586 -32.96189 34.30437 
1 1 1    2    5   72 o   59.690   15.804   9.4572   6.9854   21.636   10.017  -2.0714   9.7462   77.002   24.628   42.377   19.812 34.62511 31.60813 
1 1 1    2    5   73 o   55.279   16.032   9.4811   6.9974   17.036   10.134   2.5958   9.6739   65.175   24.505   45.383   20.678 19.79240 32.06375 
1 1 1    2    6    0 o  1187.75  107.379  3888.46  805.268  3888.46  805.268  3888.46  805.268  1187.75  151.857  1187.75  151.857 -0.000000 0.000000 
1 1 1    2    6    1 o  238.444   16.701  132.751   17.601  136.992   30.508  130.635   21.550  241.014   27.085  235.874   19.549 5.140442 33.40270 
1 1 1    2    6    2 o  656.927   32.027  1034.57   96.318  1038.26  152.298  1032.11  124.343  656.186   49.662  657.669   40.455 -1.482422 64.05421 
1 1 1    2    6    3 o  670.972   32.474  1117.78   97.414  930.214  154.010  1242.86  125.769  619.317   53.210  722.626   37.241 -103.3094 64.94748 
1 1 1    2    6    4 o  1186.13   53.723  3458.34  293.702  4156.24  464.396  2993.12  379.160  1281.44   77.544  1090.81   74.376 190.6313 107.4466 
1 1 1    2    6    5 o  304.700   16.286  223.677   22.367  291.152   31.646  156.332   31.616  352.037   19.235  257.363   26.286 94.67389 32.57175 
1 1 1    2    6    6 o  719.126   39.318  1266.12  132.139  1259.89  186.876  1272.36  186.871  717.270   55.748  720.982   55.459 -3.712219 78.63547 
1 1 1    2    6    7 o  465.949   36.609  518.445   79.721  518.445   79.721   0.0000   0.0000  465.949   36.609  ?   ?       ?      ? 
1 1 1    2    6    8 o  510.680   39.413  654.418   91.011  473.901  128.691  835.037  128.727  435.027   63.298  586.333   46.977 -151.3067 78.82511 
1 1 1    2    6    9 o  704.986   56.268  1234.17  185.389   0.0000   0.0000  1234.17  185.389  ?   ?   704.986   56.268      ?      ? 
1 1 1    2    6   10 o  162.144   20.911   62.038   15.846   62.038   15.846   0.0000   0.0000  162.144   20.911  ?   ?       ?      ? 
1 1 1    2    6   11 o  313.544   35.597  237.152   52.162  237.152   52.162   0.0000   0.0000  313.544   35.597  ?   ?       ?      ? 
1 1 1    2    6   12 o  483.152   31.718  581.896   66.872  594.590   81.910  556.524  115.800  495.960   35.338  470.344   52.681 25.61685 63.43556 
1 1 1    2    6   13 o  213.259   15.122  106.422   14.289  103.799   17.511  111.650   24.720  209.794   17.860  216.725   24.406 -6.931107 30.24302 
1 1 1    2    6   14 o  301.748   15.920  216.025   22.422  228.631   31.718  203.434   31.701  310.681   21.845  292.816   23.165 17.86508 31.84042 
1 1 1    2    6   15 o  253.038   16.743  152.155   18.628  151.192   32.291  152.636   22.805  251.780   27.442  254.297   19.189 -2.517059 33.48577 
1 1 1    2    6   16 o  400.550   22.185  385.060   41.473  362.401   58.646  407.728   58.656  388.444   32.305  412.656   30.415 -24.21204 44.36966 
1 1 1    2    6   17 o  309.081   16.054  227.586   23.031  197.182   32.556  258.042   32.584  288.017   24.186  330.145   21.118 -42.12799 32.10866 
1 1 1    2    6   18 o  591.124   46.015  957.301  116.637  1001.88  142.849  868.132  202.026  629.219   48.577  553.029   78.166 76.18994 92.03069 
1 1 1    2    6   19 o  334.461   23.001  268.617   33.915  265.845   41.525  274.172   58.777  333.638   26.631  335.285   37.510 -1.647675 46.00252 
1 1 1    2    6   20 o  300.660   24.316  219.325   33.758  257.395   47.766  181.335   47.715  327.720   31.187  273.600   37.316 54.12024 48.63273 
1 1 1    2    6   21 o  142.784   15.065   49.777   9.5052   36.184   13.410   63.501   13.475  121.385   24.484  164.183   17.561 -42.79752 30.13048 
1 1 1    2    6   22 o  191.626   12.143   87.261   10.697  105.379   15.142   69.209   15.114  211.819   15.296  171.433   18.865 40.38591 24.28668 
1 1 1    2    6   23 o  270.123   18.248  168.932   21.900  183.450   37.971  161.695   26.808  278.232   29.201  262.015   21.893 16.21762 36.49688 
1 1 1    2    6   24 o  495.922   36.240  626.693   76.473  514.442  132.446  682.830   93.662  456.671   62.057  535.173   37.448 -78.50192 72.48081 
1 1 1    2    6   25 o  224.024   26.694  118.416   27.948  118.416   27.948   0.0000   0.0000  224.024   26.694  ?   ?       ?      ? 
1 1 1    2    6   26 o  126.925   14.898   40.621   8.1173   20.395   11.371   61.635   11.591   91.701   25.571  162.148   15.296 -70.44707 29.79657 
1 1 1    2    6   27 o  912.363   54.657  1996.60  223.746  1736.30  274.006  2517.50  387.610  833.851   70.312  990.875   83.702 -157.0249 109.3148 
1 1 1    2    6   28 f  373.971   23.335  327.151   35.515  322.337   41.014  341.579   71.004  369.929   23.723  378.014   40.191 -8.085266 46.67031 
1 1 1    2    6   29 o  331.706   18.506  260.189   28.606  237.976   40.515  282.269   40.394  317.415   27.312  345.997   24.981 -28.58176 37.01294 
1 1 1    2    6   30 o  509.240   40.287  634.798   95.813  660.509  135.439  609.040  135.562  520.064   55.724  498.416   58.197 21.64804 80.57367 
1 1 1    2    6   31 o  182.749   14.012   76.791   11.469   84.662   19.602   72.695   14.142  189.559   22.126  175.938   17.199 13.62140 28.02464 
1 1 1    2    6   32 o  540.449   43.433  734.925  109.701  734.708  155.225  735.141  155.058  540.341   61.468  540.557   61.378 -0.2160645 86.86508 
1 1 1    2    6   33 o  681.994   49.819  1233.07  145.722  1302.77  178.504  1093.81  252.308  725.940   52.614  638.048   84.613 87.89197 99.63720 
1 1 1    2    6   34 o  136.195   14.543   46.107   8.4685   50.336   10.659   38.869   13.945  146.367   15.582  126.023   24.560 20.34340 29.08575 
1 1 1    2    6   35 o  122.579   16.489   43.792   8.4847   57.319   10.467   17.865   14.490  156.244   14.334   88.914   29.700 67.33022 32.97795 
1 1 1    2    6   36 o  373.362   23.957  330.438   41.804  330.438   41.804   0.0000   0.0000  373.362   23.957  ?   ?       ?      ? 
1 1 1    2    6   37 o  268.748   16.763  160.869   18.767  149.302   21.695  195.250   37.404  251.569   18.453  285.927   27.991 -34.35829 33.52624 
1 1 1    2    6   38 o  178.268   17.986   83.488   12.893   95.164   15.788   60.116   22.338  201.003   16.807  155.533   31.805 45.47015 35.97224 
1 1 1    2    6   39 o  228.667   14.179  124.353   15.106  113.446   21.402  135.180   21.324  218.492   20.959  238.842   19.103 -20.35014 28.35864 
1 1 1    2    6   40 o  245.233   14.196  143.227   16.267  140.630   23.061  145.799   22.948  242.966   20.309  247.500   19.840 -4.533539 28.39127 
1 1 1    2    6   41 o  138.552   16.310   46.547   10.029   64.301   14.909   31.875   13.553  164.361   19.409  112.744   26.217 51.61615 32.62013 
1 1 1    2    6   42 o  349.388   20.119  297.574   32.795  277.991   46.362  317.185   46.396  337.391   29.403  361.384   27.471 -23.99246 40.23883 
1 1 1    2    6   43 f  191.569   11.982   89.370   10.336   77.664   16.345   97.171   13.343  180.369   19.390  202.769   14.080 -22.40009 23.96327 
1 1 1    2    6   44 o  281.390   13.469  190.592   17.536  221.639   24.860  159.847   24.739  304.867   17.448  257.913   20.524 46.95370 26.93832 
1 1 1    2    6   45 o  176.450   10.828   73.410   8.7838   77.700   13.880   70.545   11.344  180.466   16.457  172.433   14.077 8.033035 21.65652 
1 1 1    2    6   46 o  234.303   20.093  152.204   17.072  110.601   33.937  166.301   19.754  204.522   36.861  264.085   16.006 -59.56281 40.18559 
1 1 1    2    6   47 o   60.750   16.528   9.1204   4.8173   0.0000   0.0000   9.1204   4.8173  ?   ?    60.750   16.528      ?      ? 
1 1 1    2    6   48 o  157.779   11.043   60.162   7.9021   56.688   12.597   62.416   10.147  153.509   17.559  162.050   13.398 -8.541000 22.08660 
1 1 1    2    6   49 o   83.047   15.209   17.193   5.9563   14.041   7.9294   21.274   9.0232   74.678   21.534   91.416   21.483 -16.73776 30.41807 
1 1 1    2    6   50 o   80.702   13.732   16.609   4.7928   16.956   5.6933   15.765   8.8798   82.783   15.278   78.622   22.822 4.161636 27.46414 
1 1 1    2    6   51 o  161.338   14.712   62.643   10.741   59.058   13.443   68.974   17.865  155.909   18.449  166.767   22.922 -10.85768 29.42404 
1 1 1    2    6   52 o  225.022   13.735  127.443   13.868  109.487   21.929  139.411   17.902  209.733   22.372  240.312   15.940 -30.57881 27.46980 
1 1 1    2    6   53 o   52.711   12.314  -0.0333   4.9143   14.893   7.2207 -12.9122   6.7073   76.184   20.019   29.239   14.345 46.94552 24.62814 
1 1 1    2    6   54 o  176.295   17.645   82.878   12.928   71.216   22.206   88.857   15.900  162.048   30.438  190.542   17.856 -28.49504 35.28915 
1 1 1    2    6   55 o  162.171   12.321   64.267   9.2953   56.778   12.999   72.104   13.297  152.143   18.281  172.199   16.523 -20.05643 24.64181 
1 1 1    2    6   56 o   56.389   13.540   5.6433   4.5484   0.9295   5.8602   12.785   7.2133   41.874   17.617   70.904   20.566 -29.02967 27.07948 
1 1 1    2    6   57 o   76.168   14.219   14.251   5.1111   10.684   6.5317   19.887   8.2087   64.897   19.761   87.439   20.452 -22.54219 28.43881 
1 1 1    2    6   58 o  178.104   11.896   77.209   9.6932   75.283   12.438   80.187   15.468  176.086   15.115  180.121   18.375 -4.034622 23.79286 
1 1 1    2    6   59 o   55.251   14.787   6.1455   5.3116   8.1094   6.8554   3.1958   8.4016   58.600   20.407   51.903   21.404 6.697144 29.57323 
1 1 1    2    6   60 o  151.630   11.677   55.114   8.1130   48.324   10.306   66.180   13.156  140.118   15.738  163.143   17.255 -23.02516 23.35414 
1 1 1    2    6   61 o   67.613   15.388   12.110   5.8260   15.731   7.3595   6.0322   9.5350   77.086   20.189   58.139   23.228 18.94650 30.77518 
1 1 1    2    6   62 o   35.640   16.577  -4.9908   6.6851   0.0000   0.0000  -4.9908   6.6851  ?   ?    35.640   16.577      ?      ? 
1 1 1    2    6   63 o   61.480   14.680   7.1056   5.3142   17.099   8.7932   1.3551   6.6702   78.912   22.654   44.048   18.677 34.86365 29.36050 
1 1 1    2    6   64 o   48.716   15.453  -1.2860   6.4141  -2.5860   7.4665   2.3757   12.531   40.431   18.322   57.000   24.889 -16.56912 30.90553 
1 1 1    2    6   65 o   57.110   15.919   4.5062   7.4181   13.553   9.2648 -11.6538   12.382   69.845   23.746   44.375   21.208 25.46989 31.83812 
1 1 1    2    6   66 o  111.393   16.427   35.210   7.7806   35.411   9.3265   34.749   14.111  117.090   17.043  105.696   28.087 11.39340 32.85369 
1 1 1    2    6   67 o   47.748   14.870   1.3340   6.4526   2.0230   9.1743   0.6595   9.0773   48.676   21.274   46.820   20.782 1.855789 29.74034 
1 1 1    2    6   68 o   40.914   13.374  -3.7137   6.0117  -3.0930   8.3135  -4.3940   8.7035   41.093   18.890   40.736   18.936 0.3563576 26.74703 
1 1 1    2    6   69 o   47.707   15.313   0.5144   7.1222   1.7919   11.936  -0.1921   8.8755   51.134   23.170   44.279   20.029 6.855412 30.62659 
1 1 1    2    6   70 o   31.732   10.895  -8.5009   4.9661  -8.3443   6.4529  -8.7283   7.7773   30.044   14.592   33.421   16.182 -3.376842 21.78956 
1 1 1    2    6   71 o   64.328   16.907   14.329   6.8445   11.937   9.6603   16.741   9.6989   60.038   23.571   68.619   24.245 -8.581207 33.81427 
1 1 1    2    6   72 f   44.376   13.895   2.8214   5.6729   3.2245   7.4771   2.2745   8.7082   44.112   19.244   44.640   20.047 -0.5284233 27.78920 
1 1 1    2    7    0 o  388.091   32.402  372.107   80.068  372.107   80.068  372.107   80.068  388.091   45.824  388.091   45.824 -0.000000 0.000000 
1 1 1    2    7    1 f   59.665   10.886   8.6777   3.0679   7.6320   4.3738   9.6905   4.3043   56.307   15.915   63.024   14.856 -6.716919 21.77108 
1 1 1    2    7    2 o  352.828   22.240  286.394   35.026  327.405   60.696  265.916   42.888  370.453   35.058  335.204   27.377 35.24924 44.48080 
1 1 1    2    7    3 o  351.718   27.091  296.999   44.394  270.671   62.748  323.386   62.818  335.689   39.996  367.748   36.550 -32.05957 54.18134 
1 1 1    2    7    4 o  533.288   41.049  707.773  101.621  618.609  143.682  797.014  143.744  497.504   61.797  569.072   54.048 -71.56812 82.09750 
1 1 1    2    7    5 o  310.821   19.774  217.604   27.580  271.049   47.765  190.874   33.780  337.608   30.273  284.035   25.447 53.57275 39.54764 
1 1 1    2    7    6 o  384.290   42.993  358.282   77.215   0.0000   0.0000  358.282   77.215  ?   ?   384.290   42.993      ?      ? 
1 1 1    2    7    7 o  288.313   32.853  198.944   44.267  198.944   44.267   0.0000   0.0000  288.313   32.853  ?   ?       ?      ? 
1 1 1    2    7    8 o  296.893   33.810  211.732   46.912  211.732   46.912   0.0000   0.0000  296.893   33.810  ?   ?       ?      ? 
1 1 1    2    7    9 o   68.794   15.549   11.570   4.8815   0.0000   0.0000   11.570   4.8815  ?   ?    68.794   15.549      ?      ? 
1 1 1    2    7   10 o  347.677   24.789  299.026   37.387  312.213   45.798  272.682   64.732  361.791   27.086  333.564   41.524 28.22751 49.57711 
1 1 1    2    7   11 o  319.271   25.725  247.329   38.384  247.846   54.310  246.813   54.258  319.612   36.359  318.931   36.402 0.6806641 51.44968 
1 1 1    2    7   12 o  231.005   13.478  126.286   14.498  113.848   20.495  138.744   20.511  219.475   19.981  242.534   18.095 -23.05853 26.95670 
1 1 1    2    7   13 o  130.008   9.1566   39.767   5.5437   43.677   7.8481   35.873   7.8318  136.430   12.309  123.586   13.560 12.84354 18.31310 
1 1 1    2    7   14 o   80.079   9.9946   15.231   3.3976   15.645   6.0503   15.041   4.1062   80.057   16.711   80.101   10.969 -0.4361725E-01 19.98919 
1 1 1    2    7   15 o  333.400   26.812  270.701   41.623  296.526   58.876  244.896   58.852  349.965   35.998  316.835   39.745 33.13028 53.62374 
1 1 1    2    7   16 o  158.629   10.255   59.394   7.5674   65.895   10.700   52.888   10.704  167.401   13.677  149.857   15.283 17.54477 20.50951 
1 1 1    2    7   17 o  191.148   15.068   88.404   12.533   91.661   15.338   81.860   21.739  197.121   16.650  185.174   25.119 11.94617 30.13639 
1 1 1    2    7   18 o  136.774   13.436   44.335   8.5135   37.348   11.952   51.532   12.130  125.689   20.347  147.858   17.553 -22.16933 26.87233 
1 1 1    2    7   19 o  341.511   27.278  284.428   43.164  243.007   61.016  325.923   61.071  315.541   41.375  367.480   35.559 -51.93912 54.55631 
1 1 1    2    7   20 o  229.380   19.626  126.677   20.685  152.915   29.269  100.494   29.239  253.828   24.673  204.932   30.528 48.89572 39.25223 
1 1 1    2    7   21 o  167.561   15.619   66.634   12.131   56.963   17.169   76.275   17.143  155.229   23.666  179.893   20.391 -24.66367 31.23897 
1 1 1    2    7   22 o  255.890   20.576  154.057   24.607   0.0000   0.0000  154.057   24.607  ?   ?   255.890   20.576      ?      ? 
1 1 1    2    7   23 o  392.448   30.747  369.856   56.345  387.195   79.687  352.520   79.681  401.900   42.426  382.996   44.516 18.90457 61.49482 
1 1 1    2    7   24 o  135.161   19.640   42.914   12.406   0.0000   0.0000   42.914   12.406  ?   ?   135.161   19.640      ?      ? 
1 1 1    2    7   25 o  333.293   19.684  245.278   29.461  204.159   36.057  327.870   51.101  294.199   26.224  372.387   29.363 -78.18814 39.36844 
1 1 1    2    7   26 o  285.304   20.749  205.034   25.029  227.373   30.649  160.310   43.366  310.976   21.088  259.632   35.739 51.34384 41.49712 
1 1 1    2    7   27 o  217.818   16.784  118.441   15.557   94.217   26.833  130.708   19.094  199.629   28.761  236.006   17.312 -36.37701 33.56890 
1 1 1    2    7   28 o  273.984   15.832  177.870   20.049  208.633   28.412  147.359   28.296  297.907   20.407  250.062   24.212 47.84441 31.66495 
1 1 1    2    7   29 o  441.162   22.788  462.224   46.883  427.584   66.288  496.895   66.317  424.355   33.424  457.969   30.985 -33.61386 45.57675 
1 1 1    2    7   30 o  598.468   45.830  865.347  128.185   0.0000   0.0000  865.347  128.185  ?   ?   598.468   45.830      ?      ? 
1 1 1    2    7   31 o  463.536   28.596  498.443   59.302  453.483   72.634  588.328  102.700  435.015   35.727  492.057   44.659 -57.04190 57.19149 
1 1 1    2    7   32 o  338.428   21.708  270.257   34.334  270.257   34.334   0.0000   0.0000  338.428   21.708  ?   ?       ?      ? 
1 1 1    2    7   33 o  454.542   31.196  509.671   61.927  522.060   75.900  485.002  107.104  466.448   34.818  442.636   51.774 23.81137 62.39271 
1 1 1    2    7   34 o  144.513   15.288   54.494   8.1107   58.237   9.3004   42.607   16.574  157.575   12.629  131.451   27.845 26.12393 30.57502 
1 1 1    2    7   35 o   72.376   14.704   12.632   4.8394   13.052   5.6066   11.408   9.5838   73.044   16.777   71.707   24.153 1.336685 29.40802 
1 1 1    2    7   36 o  372.563   24.330  338.131   36.330  341.369   41.944  328.403   72.697  379.285   23.662  365.841   42.519 13.44434 48.65971 
1 1 1    2    7   37 o   54.147   14.755   4.3123   5.0197   3.4807   6.1278   6.0085   8.7518   48.539   18.852   59.756   22.702 -11.21753 29.50935 
1 1 1    2    7   38 o   92.143   15.370   20.755   6.2195   20.555   7.5841   21.166   10.868   91.685   18.340   92.602   24.670 -0.9172363 30.74025 
1 1 1    2    7   39 o  400.509   27.134  389.204   48.348  436.891   83.850  365.454   59.175  414.964   43.236  386.054   32.798 28.90985 54.26879 
1 1 1    2    7   40 o  181.478   11.992   78.024   10.165   81.584   14.489   74.573   14.265  185.591   16.705  177.365   17.209 8.226059 23.98376 
1 1 1    2    7   41 o   96.114   11.757   23.765   4.8787   29.348   6.4110   16.084   7.5200  111.640   12.288   80.588   20.049 31.05258 23.51438 
1 1 1    2    7   42 o  299.077   17.291  192.918   21.770  166.794   25.118  271.811   43.649  264.185   20.343  333.969   27.965 -69.78363 34.58211 
1 1 1    2    7   43 o  125.824   10.614   38.764   5.9995   43.542   7.8174   31.917   9.3580  135.859   12.312  115.789   17.293 20.06999 21.22812 
1 1 1    2    7   44 o  342.426   19.805  290.032   31.663  304.938   44.873  275.250   44.684  351.659   27.304  333.192   28.696 18.46747 39.60983 
1 1 1    2    7   45 o   68.863   11.475   11.999   3.6712   8.8888   5.4325   14.613   4.9806   60.444   17.936   77.282   14.317 -16.83767 22.94967 
1 1 1    2    7   46 o  157.783   13.337   59.179   8.5575   61.428   17.062   58.423   9.8916  158.642   23.013  156.925   13.488 1.717865 26.67433 
1 1 1    2    7   47 o  169.304   16.359   68.623   12.944   0.0000   0.0000   68.623   12.944  ?   ?   169.304   16.359      ?      ? 
1 1 1    2    7   48 o  178.445   15.113   77.900   12.028   77.958   14.965   77.795   20.216  179.756   17.813  177.135   24.420 2.620605 30.22640 
1 1 1    2    7   49 o  104.498   16.921   28.528   8.0815   24.824   12.056   31.550   10.891   97.501   25.986  111.496   21.681 -13.99504 33.84285 
1 1 1    2    7   50 o  244.045   23.147  157.540   26.330  146.619   37.386  168.289   37.089  234.419   34.125  253.671   31.285 -19.25215 46.29497 
1 1 1    2    7   51 o   54.810   15.891   3.2664   6.5183   1.3764   9.8204   4.7547   8.7148   53.492   22.671   56.127   22.275 -2.635490 31.78282 
1 1 1    2    7   52 o  161.328   13.431   60.659   8.9067   57.264   10.264   71.009   17.920  154.363   14.228  168.293   22.784 -13.92970 26.86199 
1 1 1    2    7   53 o  113.593   14.010   31.053   7.4377   31.053   7.4377   0.0000   0.0000  113.593   14.010  ?   ?       ?      ? 
1 1 1    2    7   54 o   46.201   12.560   2.5401   4.2875   7.1537   5.5817  -4.1001   6.6963   55.135   18.433   37.266   17.065 17.86898 25.11951 
1 1 1    2    7   55 o  119.753   11.236   34.482   6.2053   36.403   9.6900   33.147   8.0792  122.259   16.959  117.246   14.744 5.013519 22.47232 
1 1 1    2    7   56 o  138.724   9.9951   46.427   6.4540   51.699   9.2120   41.346   9.0449  146.669   13.439  130.780   14.799 15.88948 19.99017 
1 1 1    2    7   57 o  169.547   11.368   69.098   8.8605   64.067   11.387   76.819   14.107  162.339   15.008  176.755   17.078 -14.41547 22.73529 
1 1 1    2    7   58 o  132.388   11.246   41.260   6.8309   34.293   8.7317   52.251   10.966  118.552   15.760  146.224   16.047 -27.67232 22.49190 
1 1 1    2    7   59 o   93.838   12.011   22.200   5.1274   19.454   7.2679   24.922   7.2346   86.821   18.479  100.855   15.349 -14.03410 24.02223 
1 1 1    2    7   60 o   77.450   14.851   12.513   5.5063   27.164   10.145   6.3938   6.5561  100.904   22.122   53.996   19.821 46.90861 29.70267 
1 1 1    2    7   61 o   65.519   15.830   10.185   5.5898   13.957   9.6154   8.2599   6.8699   72.585   24.192   58.454   20.424 14.13047 31.66083 
1 1 1    2    7   62 o   66.352   14.968   11.702   5.3061   9.0074   8.3218   13.548   6.8879   61.356   22.360   71.349   19.903 -9.993183 29.93517 
1 1 1    2    7   63 o   78.419   16.560   16.774   6.5704   20.601   9.7686   13.613   8.8790   85.869   23.608   70.969   23.228 14.89994 33.11940 
1 1 1    2    7   64 o   36.246   12.284  -7.1837   5.3830  -3.0757   5.9652 -25.1976   12.492   35.097   16.084   37.395   18.571 -2.298641 24.56775 
1 1 1    2    7   65 o   67.731   16.762   12.330   6.5950   14.946   9.5237   9.9187   9.1416   72.741   24.069   62.721   23.335 10.01970 33.52346 
1 1 1    2    7   66 o   36.796   12.267  -6.0599   5.4240  -3.5753   6.8019 -10.3990   8.9887   36.808   16.980   36.784   17.707 0.2373123E-01 24.53330 
1 1 1    2    7   67 o   53.903   13.786   5.9201   5.2612   13.455   7.1556  -2.9474   7.7624   68.121   20.670   39.685   18.246 28.43628 27.57103 
1 1 1    2    7   68 o   58.685   15.883   8.9026   6.0216   11.119   9.3349   7.3233   7.8805   62.642   23.526   54.728   21.345 7.914516 31.76601 
1 1 1    2    7   69 o  102.504   14.106   29.105   6.4935   40.122   10.752   22.780   8.1469  117.973   19.502   87.035   20.387 30.93838 28.21256 
1 1 1    2    7   70 o   55.462   14.718   7.6478   5.4466   2.1231   7.1210   15.436   8.4549   42.938   18.755   67.986   22.687 -25.04800 29.43534 
1 1 1    2    7   71 o   46.772   14.194   3.4047   6.0859   8.0678   7.0370 -10.4343   12.123   52.725   20.279   40.820   19.866 11.90472 28.38821 
1 1 1    2    7   72 o   81.757   16.619   23.652   6.6132   20.035   8.5576   29.014   10.420   74.939   22.574   88.576   24.395 -13.63622 33.23726 
1 1 1    2    8    2 o  366.854   41.315  327.495   70.834   0.0000   0.0000  327.495   70.834  ?   ?   366.854   41.315      ?      ? 
1 1 1    2    8    3 o  108.413   11.238   27.552   5.6941   0.0000   0.0000   27.552   5.6941  ?   ?   108.413   11.238      ?      ? 
1 1 1    2    8    4 o  293.090   33.493  206.613   45.877  206.613   45.877   0.0000   0.0000  293.090   33.493  ?   ?       ?      ? 
1 1 1    2    8    5 o  428.990   27.909  438.815   53.184  418.994   65.139  478.448   92.112  417.214   33.407  440.766   44.716 -23.55157 55.81735 
1 1 1    2    8    6 o  483.050   38.157  567.274   86.140  567.274   86.140   0.0000   0.0000  483.050   38.157  ?   ?       ?      ? 
1 1 1    2    8    7 o  279.514   19.395  184.936   23.967  181.681   29.362  191.435   41.490  276.792   22.698  282.235   31.455 -5.443207 38.78930 
1 1 1    2    8    8 o  105.252   11.088   27.341   4.9092   29.047   6.0337   24.000   8.4439  111.276   11.602   99.227   18.898 12.04834 22.17577 
1 1 1    2    8    9 o  296.960   23.634  216.477   31.795  276.166   45.009  157.024   44.920  339.874   28.336  254.045   37.834 85.82904 47.26896 
1 1 1    2    8   10 o  195.355   18.046   93.821   15.462   66.162   21.834  121.649   21.901  163.909   29.591  226.801   20.662 -62.89255 36.09112 
1 1 1    2    8   11 o  878.487   50.653  2059.71  205.975  1771.06  291.278  2348.42  291.306  808.179   77.118  948.793   65.695 -140.6140 101.3070 
1 1 1    2    8   12 o  458.702   24.079  508.850   51.268  575.297   72.519  442.458   72.489  489.682   31.688  427.721   36.263 61.96027 48.15773 
1 1 1    2    8   13 o  111.749   8.6060   29.308   4.4928   28.316   6.3452   30.306   6.3623  109.845   12.360  113.653   11.978 -3.808563 17.21196 
1 1 1    2    8   14 o  192.071   13.686   87.148   11.579   86.881   14.175   87.685   20.071  192.025   15.796  192.118   22.354 -0.9329224E-01 27.37146 
1 1 1    2    8   15 o  331.981   24.159  286.963   33.608  321.201   41.169  218.571   58.186  367.086   23.997  296.876   41.938 70.21005 48.31793 
1 1 1    2    8   16 o  419.003   28.216  423.762   52.335  410.980   64.086  449.352   90.677  412.584   33.236  425.422   45.607 -12.83810 56.43296 
1 1 1    2    8   17 o  283.724   23.134  193.764   30.583  210.680   43.258  176.859   43.245  296.475   31.220  270.972   34.149 25.50378 46.26896 
1 1 1    2    8   18 f  414.494   33.066  431.245   62.146  317.312   87.846  545.393   87.930  355.634   52.854  473.354   39.747 -117.7199 66.13164 
1 1 1    2    8   19 o  468.835   39.611  609.429   73.074  419.343  126.539  704.536   89.507  396.568   70.877  541.102   35.394 -144.5342 79.22285 
1 1 1    2    8   20 f  507.361   31.880  601.333   72.282  701.261  125.238  551.421   88.511  535.728   50.021  478.995   39.539 56.73297 63.76050 
1 1 1    2    8   21 f  586.192   45.460  863.913  121.605  661.474  171.926  1066.59  172.026  512.266   71.813  660.119   55.761 -147.8538 90.91972 
1 1 1    2    8   22 o  736.284   45.245  1276.36  149.323  1130.27  182.860  1568.75  258.700  679.872   57.550  792.697   69.831 -112.8253 90.48975 
1 1 1    2    8   23 o   63.015   10.958   10.477   3.2984   13.092   4.0084   4.9930   5.8045   74.783   11.469   51.247   18.675 23.53664 21.91517 
1 1 1    2    8   24 o  793.276   58.677  1665.75  198.719  1779.75  243.381  1437.75  344.189  851.129   61.185  735.424  100.142 115.7053 117.3546 
1 1 1    2    8   25 o  149.215   15.019   54.363   9.7202   35.369   13.564   74.414   13.936  120.326   24.940  178.105   16.743 -57.77829 30.03853 
1 1 1    2    8   26 o  194.984   11.516   89.951   10.334  108.734   14.688   71.543   14.541  215.387   14.592  174.582   17.821 40.80510 23.03295 
1 1 1    2    8   27 o  101.208   9.4342   24.234   4.4122   20.431   6.3208   27.849   6.1618   93.363   14.486  109.054   12.090 -15.69083 18.86844 
1 1 1    2    8   28 o  583.714   41.273  815.787  112.591   0.0000   0.0000  815.787  112.591  ?   ?   583.714   41.273      ?      ? 
1 1 1    2    8   29 o  727.130   51.552  1346.74  163.872  1321.27  283.804  1359.48  200.713  711.281   85.376  742.979   57.804 -31.69788 103.1032 
1 1 1    2    8   30 o  302.737   34.487  219.235   48.794  219.235   48.794   0.0000   0.0000  302.737   34.487  ?   ?       ?      ? 
1 1 1    2    8   31 o  579.448   47.516  862.465  127.164  723.203  179.824  1001.77  179.850  528.019   72.871  630.877   60.999 -102.8575 95.03194 
1 1 1    2    8   32 o  491.129   37.402  580.925   85.849  580.925   85.849   0.0000   0.0000  491.129   37.402  ?   ?       ?      ? 
1 1 1    2    8   33 o  437.585   23.741  459.672   48.472  488.902   68.528  430.404   68.573  451.891   32.448  423.279   34.664 28.61218 47.48166 
1 1 1    2    8   34 o  653.573   36.687  1044.26  106.212  1006.00  130.053  1120.87  184.046  641.870   43.354  665.275   59.195 -23.40540 73.37304 
1 1 1    2    8   35 o  428.088   22.166  447.787   42.920  477.656   55.415  403.007   67.853  447.861   26.476  408.315   35.557 39.54550 44.33144 
1 1 1    2    8   36 o  163.415   13.188   58.448   9.6429   48.039   11.742   80.013   16.900  142.768   17.598  184.061   19.646 -41.29219 26.37564 
1 1 1    2    8   37 o  673.254   41.740  1106.92  126.166  942.724  154.469  1435.98  218.673  607.629   54.395  738.879   63.326 -131.2499 83.48032 
1 1 1    2    8   38 o  371.626   21.171  336.456   36.550  377.714   51.739  295.354   51.641  395.322   28.004  347.929   31.758 47.39334 42.34199 
1 1 1    2    8   39 o  116.675   11.098   32.145   6.0445   34.400   8.7114   30.051   8.3940  120.638   15.451  112.713   15.935 7.925026 22.19594 
1 1 1    2    8   40 o  136.304   9.9353   42.102   6.1534   30.655   7.9355   59.364   9.7450  113.905   14.907  158.703   13.139 -44.79757 19.87065 
1 1 1    2    8   41 o  168.019   12.091   67.223   9.4474   59.784   13.386   74.608   13.336  158.576   18.062  177.463   16.079 -18.88799 24.18212 
1 1 1    2    8   42 o  310.789   16.109  235.434   22.750  245.836   29.377  219.851   35.956  320.683   19.602  300.896   25.569 19.78662 32.21809 
1 1 1    2    8   43 o  340.823   19.555  286.065   31.147  288.911   44.076  283.225   44.021  342.597   27.528  339.050   27.781 3.546509 39.11023 
1 1 1    2    8   44 o  163.163   11.741   63.720   8.9251   58.803   12.734   68.469   12.513  156.794   17.378  169.531   15.793 -12.73715 23.48209 
1 1 1    2    8   45 o  183.545   18.665   84.617   15.392  100.454   21.814   68.913   21.721  203.030   22.989  164.060   29.410 38.96994 37.32918 
1 1 1    2    8   46 o  343.509   25.690  310.517   38.463  316.293   47.204  299.106   66.350  355.324   28.426  331.693   42.802 23.63113 51.38098 
1 1 1    2    8   47 o  202.321   18.572   98.856   17.560   98.856   17.560   0.0000   0.0000  202.321   18.572  ?   ?       ?      ? 
1 1 1    2    8   48 o   52.492   13.777   3.0593   5.5686   10.641   6.7984 -12.3995   9.7073   65.758   20.186   39.226   18.756 26.53180 27.55449 
1 1 1    2    8   49 o   82.987   14.401   18.924   5.9333   8.2703   9.9036   24.889   7.4104   64.295   24.216  101.679   15.594 -37.38361 28.80235 
1 1 1    2    8   50 o   64.330   11.134   10.221   4.0684   18.029   5.4272   0.2040   6.1469   86.937   13.357   41.722   17.817 45.21515 22.26810 
1 1 1    2    8   51 o  219.809   12.241  114.467   12.370  133.614   19.790  102.190   15.847  234.142   18.086  205.476   16.502 28.66588 24.48300 
1 1 1    2    8   52 o   58.764   13.900   7.8687   4.7264   3.7838   6.8332   11.615   6.5443   49.828   19.741   67.700   19.575 -17.87185 27.80073 
1 1 1    2    8   53 o   46.590   13.228  -0.8529   4.3679  -4.7733   5.1812   8.7779   8.1207   30.890   14.443   62.290   22.166 -31.39932 26.45606 
1 1 1    2    8   54 o   39.536   17.009  -0.0572   5.6770  -0.0572   5.6770   0.0000   0.0000   39.536   17.009  ?   ?       ?      ? 
1 1 1    2    8   55 o   53.866   14.246   5.7191   4.8428   4.8624   6.8541   6.5731   6.8434   52.057   20.015   55.675   20.279 -3.618893 28.49287 
1 1 1    2    8   56 o   56.143   12.505   6.9727   4.1274   12.579   5.7895   1.1781   5.8857   70.112   17.674   42.174   17.694 27.93790 25.00912 
1 1 1    2    8   57 o   44.137   12.414   1.8291   4.0634   5.7755   5.8265  -1.9079   5.6698   51.804   18.735   36.470   16.291 15.33389 24.82786 
1 1 1    2    8   58 o   43.114   12.308   1.7381   3.9964   4.9184   5.6619  -1.4196   5.6417   49.248   18.356   36.979   16.401 12.26860 24.61572 
1 1 1    2    8   59 o   70.237   13.708   12.858   4.6817   14.788   6.6175   10.924   6.6244   75.335   18.843   65.140   19.914 10.19479 27.41639 
1 1 1    2    8   60 o  104.992   12.624   27.203   5.9910   32.931   9.4811   23.396   7.7298  114.673   17.691   95.311   18.013 19.36185 25.24791 
1 1 1    2    8   61 o  112.532   13.381   34.464   6.4482   25.052   10.111   40.918   8.3719   95.806   22.893  129.258   13.859 -33.45207 26.76140 
1 1 1    2    8   62 o   60.056   15.732   8.4245   5.8425   8.3396   8.7618   8.4926   7.8400   60.438   22.774   59.674   21.710 0.7643013 31.46384 
1 1 1    2    8   63 o   56.269   15.597   4.4332   6.9698   12.503   8.7567  -9.5167   11.513   68.200   23.087   44.338   20.977 23.86192 31.19327 
1 1 1    2    8   64 o   75.563   14.540   16.521   5.5670   21.105   7.2144   9.7733   8.7524   89.091   17.947   62.034   22.882 27.05718 29.08045 
1 1 1    2    8   65 o   74.064   15.511   14.723   5.7482   11.004   7.4211   20.300   9.0883   63.764   21.253   84.365   22.597 -20.60024 31.02150 
1 1 1    2    8   66 f   46.364   13.699   3.1263   4.9907   0.6876   7.9187   4.7333   6.4281   44.595   19.620   48.134   19.122 -3.538937 27.39721 
1 1 1    2    8   67 o  106.325   13.739   30.582   6.5997   23.365   8.7892   39.910   9.9931   89.988   21.240  122.661   17.432 -32.67219 27.47779 
1 1 1    2    8   68 o   35.991   11.947  -5.0730   4.9989  -1.6009   7.7835  -7.5107   6.5218   40.646   18.531   31.336   15.084 9.309771 23.89395 
1 1 1    2    8   69 o   63.758   15.133   12.921   5.9132   5.4791   9.2159   18.129   7.7095   51.153   21.829   76.363   20.964 -25.20986 30.26580 
1 1 1    2    8   70 o   95.387   14.263   28.322   6.3043   20.636   9.0329   35.622   8.8028   78.026   23.123  112.748   16.706 -34.72171 28.52615 
1 1 1    2    8   71 o   39.987   12.755  -0.6216   5.2458  -5.4328   7.6050   3.7454   7.2454   35.070   16.722   44.905   19.264 -9.834408 25.50936 
1 1 1    2    8   72 o   90.218   16.586   29.967   7.0555   27.764   11.554   31.277   8.9096   81.558   26.488   98.877   19.968 -17.31938 33.17120 
1 1 1    2    9    0 o  355.592   19.225  303.702   44.577  303.702   44.577  303.702   44.577  355.592   27.189  355.592   27.189 -0.000000 0.000000 
1 1 1    2    9    1 o  430.637   20.789  438.310   41.205  477.440   65.166  412.244   53.188  445.743   31.282  415.531   27.388 30.21198 41.57753 
1 1 1    2    9    2 o  100.415   7.6515   23.710   3.5044   23.326   5.5799   23.959   4.5032   99.705   11.975  101.126   9.5284 -1.420822 15.30308 
1 1 1    2    9    3 o  288.637   17.446  189.653   20.754  216.354   41.526  180.763   23.962  300.511   29.568  276.762   18.525 23.74945 34.89176 
1 1 1    2    9    4 o   80.811   10.197   17.627   3.1339   12.048   6.1690   19.568   3.6383   70.208   18.530   91.413   8.5163 -21.20562 20.39361 
1 1 1    2    9    5 o   84.082   7.3160   16.808   2.7979   15.453   4.4014   17.726   3.6243   81.166   11.603   86.998   8.9141 -5.831688 14.63199 
1 1 1    2    9    6 o  168.820   10.519   67.019   8.2978   68.434   11.735   65.605   11.734  170.613   14.718  167.026   15.033 3.586624 21.03773 
1 1 1    2    9    7 o  585.783   40.667  865.161  105.059  846.166  128.674  903.146  181.957  584.240   47.126  587.326   66.290 -3.086365 81.33377 
1 1 1    2    9    8 o  303.269   26.178  250.866   31.046  294.406   38.034  163.930   53.744  352.455   23.090  254.083   46.990 98.37218 52.35701 
1 1 1    2    9    9 o  504.703   27.378  619.387   64.513  588.901   91.233  649.875   91.236  491.777   39.696  517.627   37.714 -25.84988 54.75507 
1 1 1    2    9   10 o  633.792   35.634  1005.70  105.422  1058.74  149.093  952.662  149.084  651.698   48.952  615.887   51.795 35.81146 71.26704 
1 1 1    2    9   11 o   64.482   11.435   10.150   3.5359   13.668   5.0308   6.7146   4.9709   74.923   14.892   54.041   17.356 20.88208 22.86951 
1 1 1    2    9   12 o  430.115   33.109  489.834   60.128  536.520   73.644  396.479  104.139  470.002   33.527  390.227   57.102 79.77563 66.21734 
1 1 1    2    9   13 o  216.696   26.162  112.248   26.495  112.248   26.495   0.0000   0.0000  216.696   26.162  ?   ?       ?      ? 
1 1 1    2    9   14 o  303.076   24.537  222.335   34.676  239.086   49.054  205.603   49.026  314.893   33.332  291.260   36.017 23.63324 49.07386 
1 1 1    2    9   15 o  670.138   58.393  1237.48  182.879  1235.99  258.631  1238.97  258.629  669.662   82.639  670.615   82.521 -0.9526978 116.7851 
1 1 1    2    9   16 o  471.031   38.056  559.335   83.361  618.954  117.904  499.745  117.876  498.103   50.649  443.959   56.812 54.14374 76.11111 
1 1 1    2    9   17 o  134.194   13.697   46.062   7.4999   35.708   13.040   51.180   9.1682  120.716   23.958  147.673   13.284 -26.95692 27.39485 
1 1 1    2    9   18 o  604.729   48.719  939.976  135.639  768.976  191.790  1111.09  191.854  544.213   75.408  665.244   61.709 -121.0319 97.43851 
1 1 1    2    9   19 o  203.920   17.573   98.349   16.686  108.122   23.622   88.617   23.573  214.151   23.602  193.689   26.041 20.46225 35.14511 
1 1 1    2    9   20 o  161.218   12.074   57.002   8.7317   47.636   10.669   76.001   15.195  142.514   16.018  179.921   18.071 -37.40685 24.14875 
1 1 1    2    9   21 o  808.360   58.022  1597.51  219.199  1597.51  219.199   0.0000   0.0000  808.360   58.022  ?   ?       ?      ? 
1 1 1    2    9   22 o  354.894   28.753  303.986   46.909  365.650   66.335  242.308   66.343  392.077   36.202  317.711   44.681 74.36615 57.50625 
1 1 1    2    9   23 o  486.033   25.803  562.229   58.597  548.049   82.871  576.406   82.865  479.790   36.958  492.275   36.018 -12.48502 51.60627 
1 1 1    2    9   24 o  889.812   49.043  1974.97  203.944  1964.98  288.418  1984.96  288.423  887.410   69.543  892.215   69.170 -4.804749 98.08543 
1 1 1    2    9   25 o  386.573   26.632  360.135   45.041  367.720   55.161  344.961   78.020  394.164   29.944  378.982   44.050 15.18277 53.26406 
1 1 1    2    9   26 f  630.661   42.343  993.423  116.154  929.574  201.155  1025.36  142.269  609.102   70.664  652.220   46.674 -43.11859 84.68681 
1 1 1    2    9   27 o  129.449   12.301   39.228   7.1560   39.699   11.912   38.963   8.9514  129.978   19.609  128.920   14.857 1.057770 24.60186 
1 1 1    2    9   28 o  760.078   59.348  1615.36  185.946  1207.12  321.984  1819.64  227.765  660.710  104.275  859.447   56.706 -198.7371 118.6964 
1 1 1    2    9   29 o  190.331   17.021   85.643   15.138   83.925   21.389   87.368   21.427  188.398   24.293  192.264   23.847 -3.866013 34.04110 
1 1 1    2    9   30 o  300.053   24.162  215.656   33.836  228.571   47.885  202.778   47.817  309.245   33.133  290.862   35.177 18.38342 48.32364 
1 1 1    2    9   31 o  633.203   44.562  1025.02  123.180  1039.01  150.879  997.055  213.310  649.353   49.717  617.053   73.968 32.30060 89.12408 
1 1 1    2    9   32 o  224.027   17.428  118.882   17.266  119.116   29.657  118.763   21.236  223.684   28.369  224.370   20.252 -0.6855927 34.85645 
1 1 1    2    9   33 o  186.729   11.973   82.002   10.446   79.214   14.624   84.905   14.925  183.481   17.054  189.976   16.811 -6.495209 23.94675 
1 1 1    2    9   34 o  511.152   28.093  637.236   67.007  597.857   94.731  676.666   94.793  494.664   40.977  527.640   38.441 -32.97607 56.18550 
1 1 1    2    9   35 o  568.438   47.746  854.250  125.513  727.553  177.464  981.053  177.539  520.742   72.920  616.135   61.656 -95.39294 95.49223 
1 1 1    2    9   36 o  373.755   25.622  337.261   42.252  332.595   51.749  346.593   73.177  372.259   29.745  375.251   41.727 -2.992432 51.24321 
1 1 1    2    9   37 o  366.920   30.908  341.763   52.486  392.601   74.235  290.949   74.217  396.556   40.055  337.284   47.083 59.27203 61.81628 
1 1 1    2    9   38 o  189.046   15.026   85.649   12.466   84.329   21.623   86.306   15.258  187.245   24.709  190.847   17.106 -3.602448 30.05277 
1 1 1    2    9   39 o  235.243   14.362  132.017   15.781  127.398   22.339  136.618   22.297  231.045   20.689  239.440   19.925 -8.395065 28.72347 
1 1 1    2    9   40 o  150.040   10.940   55.633   7.2884   63.552   9.4244   43.850   11.496  164.263   12.276  135.818   18.112 28.44566 21.88015 
1 1 1    2    9   41 o  453.698   30.624  535.740   55.200  539.265   63.729  525.153  110.452  468.984   29.076  438.413   53.907 30.57108 61.24882 
1 1 1    2    9   42 o  101.496   13.396   24.365   6.3545   24.365   6.3545   0.0000   0.0000  101.496   13.396  ?   ?       ?      ? 
1 1 1    2    9   43 o  162.190   14.943   68.477   9.1882   72.761   10.675   56.232   18.049  175.309   13.029  149.071   26.897 26.23856 29.88685 
1 1 1    2    9   44 o  197.448   16.147  102.280   13.416  117.323   16.645   74.389   22.666  221.804   16.058  173.092   28.019 48.71233 32.29398 
1 1 1    2    9   45 o  213.264   19.132  113.215   18.759  139.442   27.135   89.206   25.962  238.173   24.377  188.355   29.493 49.81841 38.26348 
1 1 1    2    9   46 o  187.880   12.675   84.931   11.118   90.318   15.925   79.809   15.529  193.793   17.583  181.967   18.261 11.82581 25.35004 
1 1 1    2    9   47 o  241.397   17.596  135.203   19.109  108.890   23.470  186.944   32.910  209.510   23.970  273.284   25.768 -63.77425 35.19280 
1 1 1    2    9   48 o  157.186   17.453   62.049   12.818   60.652   18.133   63.445   18.122  155.282   24.987  159.090   24.373 -3.808868 34.90562 
1 1 1    2    9   49 o  245.126   17.464  146.155   17.396  141.695   20.061  159.678   34.930  241.787   17.753  248.466   30.081 -6.678482 34.92882 
1 1 1    2    9   50 f   99.184   11.618   24.380   5.1177   25.519   6.6458   22.722   8.0218  103.291   13.767   95.077   18.719 8.213303 23.23681 
1 1 1    2    9   51 o   83.233   14.232   15.660   5.0414   23.752   9.7314   12.691   5.8939   95.726   22.186   70.741   17.833 24.98517 28.46418 
1 1 1    2    9   52 o  125.067   10.734   38.100   6.1840   39.754   8.2051   35.924   9.4089  128.637   13.648  121.498   16.570 7.138519 21.46729 
1 1 1    2    9   53 o   70.181   14.037   12.397   4.9519   8.5087   6.9497   16.407   7.0576   60.216   20.566   80.146   19.111 -19.93016 28.07491 
1 1 1    2    9   54 o   63.773   13.734   9.7308   4.4989   13.216   6.8728   7.1180   5.9510   71.987   19.807   55.559   19.031 16.42823 27.46780 
1 1 1    2    9   55 o   85.360   14.059   18.723   5.4826   18.260   7.3819   19.293   8.1877   84.386   19.156   86.335   20.583 -1.948631 28.11762 
1 1 1    2    9   56 o   36.190   11.598  -3.3343   4.3234  -0.7150   5.8327  -6.5283   6.4408   38.823   16.965   33.558   15.819 5.264889 23.19630 
1 1 1    2    9   57 o  199.353   12.723   96.260   11.713   85.428   15.199  112.099   18.378  186.146   17.471  212.560   18.501 -26.41417 25.44616 
1 1 1    2    9   58 f   76.857   13.260   15.383   4.8244   20.031   6.8651   10.849   6.7810   88.628   17.195   65.086   20.190 23.54147 26.51987 
1 1 1    2    9   59 o   48.917   14.121   3.1510   5.1145   2.4332   7.3417   3.8278   7.1290   47.946   19.910   49.887   20.030 -1.941399 28.24235 
1 1 1    2    9   60 o   60.572   13.608   8.9654   4.9846   0.6385   7.7722   14.784   6.4967   46.064   19.859   75.080   18.609 -29.01613 27.21533 
1 1 1    2    9   61 o   45.890   13.460   2.3480   4.7369   2.5422   6.7526   2.1598   6.6467   46.353   19.159   45.426   18.911 0.9276848 26.92019 
1 1 1    2    9   62 o   79.629   15.080   6.9331   6.4917   39.992   13.107  -3.8114   7.4725  120.010   24.205   39.247   17.992 80.76371 30.15944 
1 1 1    2    9   63 o   60.007   17.136   7.0736   6.7829   9.3887   13.008   6.2090   7.9492   65.499   26.778   54.516   21.389 10.98312 34.27129 
1 1 1    2    9   64 o   60.267   15.478   9.0786   5.6178   8.0976   7.6123   10.252   8.3251   57.753   21.332   62.782   22.432 -5.028744 30.95575 
1 1 1    2    9   65 o  111.627   12.455   31.570   6.3534   38.050   10.399   27.711   8.0256  119.784   18.575  103.470   16.597 16.31429 24.90943 
1 1 1    2    9   66 o   74.741   14.441   14.444   5.2040   24.445   8.8332   9.1279   6.4404   91.854   21.030   57.628   19.796 34.22659 28.88140 
1 1 1    2    9   67 o   53.214   14.775   6.5190   5.5148   8.9203   7.0074   2.6118   8.9386   57.432   20.574   48.996   21.210 8.435467 29.54917 
1 1 1    2    9   68 o   45.490   13.676  -1.3524   5.7052 -10.6360   7.6302   10.419   8.5918   31.902   15.577   59.077   22.482 -27.17439 27.35133 
1 1 1    2    9   69 o   32.982   11.172  -7.3165   5.0578 -12.9440   7.6516  -2.9496   6.7404   30.197   14.913   35.766   16.639 -5.569199 22.34380 
1 1 1    2    9   70 o   55.375   14.488   8.6796   5.3678   3.0952   7.6435   14.114   7.5400   44.960   19.538   65.789   21.399 -20.82836 28.97659 
1 1 1    2    9   71 o  107.067   13.468   35.083   6.5558   30.550   9.0761   40.028   9.4797   97.435   20.577  116.700   17.381 -19.26466 26.93561 
1 1 1    2   10    0 o  902.747   51.755  2073.11  304.130  2073.11  304.130  2073.11  304.130  902.747   73.193  902.747   73.193 -0.000000 0.000000 
1 1 1    2   10    1 o  293.229   16.563  204.098   22.654  218.590   32.042  189.615   32.034  303.801   22.568  282.658   24.249 21.14243 33.12611 
1 1 1    2   10    2 o  328.680   21.463  252.144   31.406  279.996   54.412  238.230   38.458  340.901   34.153  316.459   26.003 24.44196 42.92517 
1 1 1    2   10    3 o  123.444   13.005   39.631   6.5003   28.799   11.234   45.083   7.9700  108.269   22.917  138.618   12.302 -30.34953 26.01043 
1 1 1    2   10    4 o  750.769   41.296  1439.14  144.837  1482.27  204.823  1396.02  204.836  763.062   57.435  738.476   59.351 24.58569 82.59127 
1 1 1    2   10    5 o   91.147   8.3994   19.563   3.5621   21.447   5.0027   17.624   5.0733   95.637   11.193   86.656   12.527 8.980530 16.79887 
1 1 1    2   10    6 o  462.199   28.099  493.661   58.294  426.645   71.377  627.910  101.023  419.289   36.425  505.109   42.795 -85.81940 56.19787 
1 1 1    2   10    7 o  230.579   19.692  127.676   21.124  141.214   29.857  114.105   29.892  243.160   26.273  217.997   29.340 25.16301 39.38397 
1 1 1    2   10    8 o  279.394   32.439  189.051   42.357  189.051   42.357   0.0000   0.0000  279.394   32.439  ?   ?       ?      ? 
1 1 1    2   10    9 o  383.487   25.599  351.300   43.631  333.891   53.428  386.153   75.597  371.898   30.740  395.076   40.943 -23.17770 51.19844 
1 1 1    2   10   10 o  172.726   15.015   74.990   11.000   82.619   13.469   59.713   19.061  187.309   15.386  158.143   25.790 29.16525 30.03078 
1 1 1    2   10   11 f  169.958   12.961   67.825   10.295   67.825   10.295   0.0000   0.0000  169.958   12.961  ?   ?       ?      ? 
1 1 1    2   10   12 o  409.359   32.036  419.740   59.394  533.339   84.050  306.431   83.943  468.648   38.375  350.070   51.308 118.5784 64.07150 
1 1 1    2   10   13 o  274.503   22.443  180.746   28.779  186.825   40.691  174.661   40.708  279.245   31.179  269.760   32.289 9.484772 44.88596 
1 1 1    2   10   14 o  482.474   38.058  600.754   81.125  811.299  114.793  390.681  114.664  575.726   42.663  389.223   63.036 186.5029 76.11617 
1 1 1    2   10   15 o  472.831   32.955  564.253   67.221  502.589  116.428  595.087   82.329  448.133   55.591  497.529   35.407 -49.39633 65.90960 
1 1 1    2   10   16 o  418.871   33.050  426.996   64.616  403.006   91.376  450.992   91.387  406.616   48.085  431.127   45.356 -24.51096 66.10066 
1 1 1    2   10   17 o  657.561   52.923  1101.63  162.214  1186.03  229.420  1017.26  229.391  685.016   71.662  630.106   77.897 54.90948 105.8459 
1 1 1    2   10   18 f  178.867   13.586   75.816   10.646   77.093   13.027   73.249   18.473  181.326   15.372  176.409   22.406 4.916504 27.17253 
1 1 1    2   10   19 o  972.156   56.731  2282.09  247.380  1993.61  302.955  2859.30  428.536  891.783   72.690  1052.53   87.118 -160.7466 113.4615 
1 1 1    2   10   20 o  401.083   21.734  355.465   39.143  478.662   67.901  294.151   47.903  449.398   32.330  352.769   29.055 96.62936 43.46771 
1 1 1    2   10   21 o  252.895   14.617  151.661   17.033  181.067   24.120  122.413   24.056  277.706   18.585  228.083   22.567 49.62263 29.23494 
1 1 1    2   10   22 o  350.186   19.309  290.227   31.481  261.251   44.511  319.229   44.531  332.474   28.646  367.898   25.900 -35.42426 38.61850 
1 1 1    2   10   23 o  714.383   37.035  1239.38  123.574  1287.13  174.767  1191.64  174.753  728.683   51.319  700.083   53.411 28.59912 74.07018 
1 1 1    2   10   24 o  322.118   22.271  252.882   31.087  266.140   38.084  226.411   53.813  336.056   24.249  308.180   37.363 27.87616 44.54214 
1 1 1    2   10   25 o  366.611   24.650  318.199   39.873  323.727   69.041  315.433   48.841  367.961   40.148  365.261   28.612 2.700104 49.30002 
1 1 1    2   10   26 f  419.863   21.956  419.393   42.842  469.625   60.582  369.140   60.595  445.469   29.099  394.258   32.886 51.21100 43.91206 
1 1 1    2   10   27 o  241.482   16.260  132.827   17.621  154.414   30.249  121.740   21.679  255.574   25.325  227.390   20.400 28.18423 32.51953 
1 1 1    2   10   28 o  297.698   24.280  212.945   33.562  185.646   47.462  240.246   47.465  278.077   36.521  317.320   32.006 -39.24356 48.56077 
1 1 1    2   10   29 o  343.402   27.398  284.566   43.880  264.033   62.036  305.126   62.075  330.603   40.151  356.201   37.289 -25.59845 54.79519 
1 1 1    2   10   30 o  455.525   27.275  464.499   55.770  372.002   68.288  649.762   96.644  392.932   37.187  518.118   39.912 -125.1862 54.55091 
1 1 1    2   10   31 o  332.639   25.646  285.754   35.820  216.562   61.844  320.683   43.940  297.627   44.462  367.651   25.573 -70.02438 51.29148 
1 1 1    2   10   32 o  271.047   19.501  171.654   23.361  165.339   28.482  184.637   40.838  264.305   23.058  277.789   31.456 -13.48358 39.00194 
1 1 1    2   10   33 o  519.928   36.047  673.396   82.427  667.073  100.913  686.073  142.879  522.194   41.350  517.662   59.058 4.531433 72.09480 
1 1 1    2   10   34 o  360.325   20.015  310.632   33.615  336.249   47.538  285.013   47.539  375.538   27.086  345.112   29.475 30.42603 40.03002 
1 1 1    2   10   35 o  176.980   17.344   79.842   12.501   86.843   15.161   64.969   22.095  191.932   16.902  162.028   30.293 29.90361 34.68866 
1 1 1    2   10   36 o  540.599   49.004  823.912  123.369  890.197  174.441  757.583  174.499  566.862   65.846  514.336   72.595 52.52618 98.00832 
1 1 1    2   10   37 o  308.564   26.241  237.522   37.748  220.083   53.491  254.822   53.277  296.478   38.605  320.649   35.552 -24.17090 52.48138 
1 1 1    2   10   38 o  178.683   17.365   84.554   12.499   60.685   21.459   96.809   15.376  155.152   30.682  202.214   16.270 -47.06297 34.72902 
1 1 1    2   10   39 o  178.635   12.106   75.809   10.084   81.739   14.282   69.913   14.241  185.714   16.455  171.557   17.761 14.15717 24.21208 
1 1 1    2   10   40 o  366.199   23.181  311.472   38.129  259.409   46.683  415.803   66.086  324.447   30.788  407.951   34.662 -83.50385 46.36100 
1 1 1    2   10   41 o  366.187   45.047  355.738   77.092   0.0000   0.0000  355.738   77.092  ?   ?   366.187   45.047      ?      ? 
1 1 1    2   10   42 o  239.257   21.230  143.064   23.729  139.126   33.638  146.965   33.479  235.712   30.535  242.801   29.504 -7.088943 42.46034 
1 1 1    2   10   43 o  217.982   28.347  118.097   28.878   0.0000   0.0000  118.097   28.878  ?   ?   217.982   28.347      ?      ? 
1 1 1    2   10   44 o  183.734   15.618   80.965   12.554   85.754   22.262   78.732   15.201  186.406   25.554  181.062   17.964 5.344238 31.23638 
1 1 1    2   10   45 o   87.389   15.025   20.181   6.3048   25.095   7.9996   12.124   10.244  102.308   16.731   72.469   24.961 29.83935 30.04962 
1 1 1    2   10   46 o  217.566   16.767  116.202   16.058  119.781   27.906  114.431   19.634  218.038   27.386  217.093   19.351 0.9450989 33.53321 
1 1 1    2   10   47 o  201.428   15.662   95.402   14.170   83.553   17.383  118.871   24.463  184.678   20.140  218.178   23.992 -33.50005 31.32421 
1 1 1    2   10   48 o   63.157   13.371   11.060   4.8255   15.141   5.3874  -5.5005   10.853   78.137   15.300   48.176   21.931 29.96144 26.74118 
1 1 1    2   10   49 o  216.789   19.281  128.376   15.455  136.400   17.852  104.371   30.877  237.957   16.053  195.620   35.062 42.33679 38.56208 
1 1 1    2   10   50 o  155.329   11.140   58.821   7.9218   61.092   10.351   55.612   12.307  159.559   13.882  151.099   17.428 8.459793 22.28072 
1 1 1    2   10   51 o   41.216   12.213   0.6156   3.9531  -1.0565   5.1915   2.9227   6.0983   36.146   15.895   46.287   18.546 -10.14028 24.42585 
1 1 1    2   10   52 o   82.100   14.975   17.578   5.4627   18.184   6.4807   16.089   10.153   85.095   16.892   79.106   24.733 5.988518 29.95084 
1 1 1    2   10   53 o   75.012   20.249   14.421   7.2641   14.421   7.2641   0.0000   0.0000   75.012   20.249  ?   ?       ?      ? 
1 1 1    2   10   54 f  124.638   11.415   39.024   6.3627   31.993   9.9746   43.848   8.2619  114.029   18.717  135.247   13.071 -21.21822 22.82942 
1 1 1    2   10   55 o  130.182   10.039   41.090   6.1001   39.006   8.6538   43.149   8.6001  126.762   14.607  133.602   13.774 -6.839760 20.07712 
1 1 1    2   10   56 o   63.473   13.465   10.160   4.3160   9.4653   6.0329   10.889   6.1772   61.520   19.037   65.426   19.047 -3.906136 26.92989 
1 1 1    2   10   57 o  165.559   11.570   66.710   8.8586   62.372   11.581   72.829   13.753  159.564   15.530  171.555   17.154 -11.99025 23.13909 
1 1 1    2   10   58 o  102.479   14.382   27.465   6.6447   27.275   9.4579   27.649   9.3373  102.015   20.548  102.943   20.129 -0.9272614 28.76482 
1 1 1    2   10   59 o   55.861   13.225  -2.4734   5.5876 -16.2910   7.1805   18.737   8.8964   28.416   14.106   83.306   22.376 -54.89067 26.45087 
1 1 1    2   10   60 o  139.242   11.879   48.984   7.5854   51.387   10.001   45.729   11.639  144.328   14.827  134.156   18.564 10.17171 23.75846 
1 1 1    2   10   61 o  108.611   17.868   33.043   8.3728   32.191   15.787   33.377   9.8763  102.857   30.588  114.366   18.478 -11.50890 35.73599 
1 1 1    2   10   62 o   44.523   13.407   0.2180   4.6999   5.2986   8.1595  -2.3045   5.7495   53.543   21.453   35.503   16.084 18.04044 26.81327 
1 1 1    2   10   63 o   38.383   12.782  -7.0681   5.9062  -4.7748   8.6651  -9.0580   8.0716   41.120   19.038   35.647   17.060 5.473289 25.56353 
1 1 1    2   10   64 o   73.619   15.424   14.340   5.7544   9.7256   7.4179   21.312   9.1187   60.762   21.223   86.476   22.388 -25.71382 30.84872 
1 1 1    2   10   65 o   51.535   13.253   4.5551   4.7795  -2.6560   6.5995   12.509   6.9311   36.954   16.929   66.115   20.396 -29.16096 26.50680 
1 1 1    2   10   66 o   59.693   14.707   9.7656   5.0342   10.507   7.2806   9.0860   6.9686   61.355   21.049   58.032   20.546 3.323078 29.41411 
1 1 1    2   10   67 o   40.487   12.291  -1.4956   4.9564   6.1235   6.3134 -13.7346   8.0017   49.831   19.196   31.142   15.355 18.68913 24.58195 
1 1 1    2   10   68 o   49.544   14.653   4.7734   5.8206   8.5872   8.3265   1.1286   8.1399   55.210   21.817   43.877   19.566 11.33227 29.30527 
1 1 1    2   10   69 o   52.103   14.454   7.3011   5.1326   10.195   7.8032   5.0944   6.8142   57.181   21.503   47.025   19.321 10.15599 28.90804 
1 1 1    2   10   70 o   68.606   14.290   15.102   5.1522   20.388   7.3510   9.9984   7.2232   80.992   19.626   56.221   20.777 24.77163 28.58097 
1 1 1    2   10   71 o   39.917   12.402  -0.0145   4.8499   6.6520   6.8502  -6.7146   6.8674   48.234   19.540   31.601   15.278 16.63237 24.80368 
1 1 1    2   11    0 o  218.869   10.686  113.969   15.288  113.969   15.288  113.969   15.288  218.869   15.112  218.869   15.112 -0.000000 0.000000 
1 1 1    2   11    1 o  316.924   15.514  234.810   22.647  260.843   35.825  217.481   29.229  331.021   23.157  302.827   20.652 28.19437 31.02859 
1 1 1    2   11    2 o   54.602   11.404   7.1187   3.1231   6.2867   4.4060   7.9588   4.4275   51.922   16.302   57.282   15.950 -5.359047 22.80712 
1 1 1    2   11    3 o   74.576   12.251   13.647   4.1889   13.296   5.8978   14.005   5.9506   73.596   17.418   75.555   17.234 -1.958107 24.50282 
1 1 1    2   11    4 o  339.863   27.553  283.456   43.758  288.280   61.877  278.630   61.890  342.903   38.611  336.824   39.316 6.079102 55.10547 
1 1 1    2   11    5 o  159.185   21.046   60.045   15.657   60.045   15.657   0.0000   0.0000  159.185   21.046  ?   ?       ?      ? 
1 1 1    2   11    6 o  356.805   25.983  321.694   39.740  274.566   68.798  345.293   48.684  333.373   44.157  380.238   27.396 -46.86453 51.96529 
1 1 1    2   11    7 o  304.589   34.841  224.054   49.596  224.054   49.596   0.0000   0.0000  304.589   34.841  ?   ?       ?      ? 
1 1 1    2   11    8 o  283.161   32.579  192.630   43.114   0.0000   0.0000  192.630   43.114  ?   ?   283.161   32.579      ?      ? 
1 1 1    2   11    9 o  356.532   29.781  334.447   42.562  504.718   60.283  165.192   60.102  460.077   28.036  252.987   52.551 207.0898 59.56215 
1 1 1    2   11   10 o  351.044   18.870  268.369   29.609  401.274   51.393  202.339   36.225  410.531   26.787  291.558   26.585 118.9724 37.73981 
1 1 1    2   11   11 o  400.845   45.331  395.181   84.920  395.181   84.920   0.0000   0.0000  400.845   45.331  ?   ?       ?      ? 
1 1 1    2   11   12 o  956.478   89.032  2904.15  349.339  2702.44  605.080  3005.00  427.849  866.664  155.083  1046.29   87.497 -179.6270 178.0631 
1 1 1    2   11   13 o  686.139   80.737  1238.72  258.898  1238.72  258.898   0.0000   0.0000  686.139   80.737  ?   ?       ?      ? 
1 1 1    2   11   14 o  261.382   30.170  162.059   36.854  162.059   36.854   0.0000   0.0000  261.382   30.170  ?   ?       ?      ? 
1 1 1    2   11   15 o  542.873   41.697  706.574  105.790  706.574  105.790   0.0000   0.0000  542.873   41.697  ?   ?       ?      ? 
1 1 1    2   11   16 o  130.452   11.909   40.297   6.7906   41.002   8.2929   38.862   11.830  132.296   13.413  128.609   19.682 3.687073 23.81795 
1 1 1    2   11   17 o  796.119   92.680  1655.30  344.832   0.0000   0.0000  1655.30  344.832  ?   ?   796.119   92.680      ?      ? 
1 1 1    2   11   18 o  526.613   28.456  663.528   69.832  606.590   98.751  720.482   98.764  503.475   41.968  549.750   38.441 -46.27484 56.91224 
1 1 1    2   11   19 o  287.140   15.401  193.976   20.658  187.094   29.206  200.867   29.224  282.009   22.160  292.271   21.395 -10.26196 30.80292 
1 1 1    2   11   20 o  494.078   26.642  583.335   61.233  519.823   86.583  646.886   86.609  466.565   39.708  521.590   35.530 -55.02481 53.28310 
1 1 1    2   11   21 o  521.277   28.100  651.294   68.086  727.898   96.301  574.729   96.276  552.712   37.281  489.843   42.055 62.86948 56.20061 
1 1 1    2   11   22 o  354.340   17.966  297.518   29.535  256.651   41.774  338.366   41.764  329.667   27.114  379.013   23.578 -49.34543 35.93156 
1 1 1    2   11   23 o  494.790   26.647  586.393   61.174  506.878   86.504  665.943   86.523  460.398   40.203  529.183   34.985 -68.78522 53.29402 
1 1 1    2   11   24 o  298.111   17.154  209.565   23.877  199.053   33.734  220.119   33.801  290.554   24.842  305.668   23.661 -15.11481 34.30730 
1 1 1    2   11   25 o  673.307   47.830  1152.14  140.291  1100.82  242.949  1177.81  171.836  652.713   79.643  693.901   52.988 -41.18805 95.65956 
1 1 1    2   11   26 o  489.163   41.234  600.822   93.062  703.682  131.542  497.747  131.678  534.220   52.687  444.105   63.443 90.11469 82.46775 
1 1 1    2   11   27 o  532.381   60.444  712.292  150.390  712.292  150.390   0.0000   0.0000  532.381   60.444  ?   ?       ?      ? 
1 1 1    2   11   28 o  124.989   14.659   38.134   8.0894   25.649   11.273   51.391   11.616  102.125   24.021  147.852   16.810 -45.72771 29.31838 
1 1 1    2   11   29 o  426.500   29.069  437.506   54.784  429.099   67.109  454.302   94.854  422.951   33.950  430.048   47.195 -7.096375 58.13765 
1 1 1    2   11   30 o  332.841   25.907  267.547   40.110  237.269   56.473  298.371   56.980  313.247   38.575  352.434   34.594 -39.18765 51.81496 
1 1 1    2   11   31 o  536.479   30.010  708.566   74.133  842.245  104.837  574.874  104.842  589.800   38.033  483.159   46.430 106.6405 60.01932 
1 1 1    2   11   32 o  258.447   15.283  158.354   18.425  168.297   25.951  148.247   26.165  266.760   20.816  250.133   22.382 16.62778 30.56597 
1 1 1    2   11   33 o  395.394   21.630  375.269   39.878  346.479   56.388  404.073   56.403  379.811   31.767  410.976   29.366 -31.16476 43.26082 
1 1 1    2   11   34 o  103.374   14.932   24.341   6.5758   20.970   7.8794   32.077   11.936   92.559   18.855  114.189   23.158 -21.63012 29.86334 
1 1 1    2   11   35 o   88.759   25.650   19.381   11.239   0.0000   0.0000   19.381   11.239  ?   ?    88.759   25.650      ?      ? 
1 1 1    2   11   36 o  178.947   18.288   78.834   14.651   62.290   20.614   95.720   20.826  157.880   29.007  200.012   22.279 -42.13202 36.57537 
1 1 1    2   11   37 o  347.848   29.251  306.876   47.552  307.089   67.143  306.661   67.356  348.026   41.281  347.669   41.454 0.3569641 58.50249 
1 1 1    2   11   38 o  172.457   14.455   70.530   11.059   69.451   13.605   72.633   18.987  171.097   17.015  173.817   23.373 -2.719925 28.91032 
1 1 1    2   11   39 o  180.133   14.928   78.729   11.851   80.818   14.643   74.763   20.174  184.438   16.988  175.829   24.551 8.609482 29.85542 
1 1 1    2   11   40 o  142.518   18.094   52.284   11.412   34.177   16.454   69.066   15.841  115.364   30.174  169.671   19.978 -54.30681 36.18832 
1 1 1    2   11   41 o  293.543   25.564  222.204   34.787  252.712   49.322  192.002   49.073  315.596   33.440  271.489   38.676 44.10718 51.12800 
1 1 1    2   11   42 o  220.915   16.820  116.490   16.505  127.821   28.624  110.846   20.202  227.451   26.928  214.379   20.164 13.07173 33.64051 
1 1 1    2   11   43 o   98.002   16.177   24.669   6.9700   21.157   12.698   26.183   8.3384   91.443   27.488  104.560   17.064 -13.11657 32.35379 
1 1 1    2   11   44 o  169.470   14.841   68.358   11.132   74.531   19.427   65.341   13.583  174.068   23.880  164.871   17.628 9.196838 29.68168 
1 1 1    2   11   45 o  136.667   11.396   44.808   7.2697   41.925   10.195   47.790   10.369  132.107   16.512  141.228   15.710 -9.120239 22.79188 
1 1 1    2   11   46 o  121.160   15.179   37.197   7.8662   38.224   9.6801   35.199   13.497  125.913   16.450  116.408   25.514 9.504868 30.35711 
1 1 1    2   11   47 o   66.378   15.877   10.338   5.6837   10.363   7.0361   10.291   9.6421   65.092   20.622   67.664   24.145 -2.571953 31.75328 
1 1 1    2   11   48 o  155.640   13.387   57.801   9.7372   57.801   9.7372   0.0000   0.0000  155.640   13.387  ?   ?       ?      ? 
1 1 1    2   11   49 o  149.863   10.682   53.101   7.3891   47.986   9.5778   60.621   11.613  141.291   14.505  158.434   15.684 -17.14261 21.36329 
1 1 1    2   11   50 o  108.998   11.168   29.092   5.5498   30.240   7.2002   27.411   8.7113  112.159   13.736  105.836   17.612 6.323257 22.33520 
1 1 1    2   11   51 o  172.349   13.490   68.180   9.7185   62.522   11.252   84.800   19.284  160.930   14.961  183.769   22.453 -22.83972 26.98049 
1 1 1    2   11   52 o   53.726   14.334   3.6466   4.5943   1.0108   5.3902   10.648   8.7848   40.508   16.961   66.943   23.112 -26.43514 28.66791 
1 1 1    2   11   53 o   81.009   15.711   15.642   5.9949   11.715   7.4353   22.939   10.134   68.322   21.133   93.695   23.254 -25.37320 31.42212 
1 1 1    2   11   54 o   63.247   13.586   8.9387   4.9662   1.6108   6.9014   16.808   7.1519   45.820   19.189   80.675   19.239 -34.85448 27.17271 
1 1 1    2   11   55 o   79.012   13.216   16.844   5.0335   21.763   6.5001   9.4773   7.9554   94.777   14.675   63.247   21.985 31.52994 26.43294 
1 1 1    2   11   56 o  127.682   11.362   40.711   6.5477   36.764   10.390   43.311   8.4331  121.556   18.289  133.808   13.485 -12.25163 22.72320 
1 1 1    2   11   57 o   96.798   13.330   24.820   5.6897   20.276   9.1037   27.733   7.2886   87.058   22.282  106.538   14.638 -19.47968 26.66006 
1 1 1    2   11   58 o   77.705   13.781   15.187   4.9208   19.781   7.9671   12.353   6.2570   86.614   20.074   68.797   18.886 17.81725 27.56183 
1 1 1    2   11   59 o   61.905   15.966   9.0483   5.8809   9.1212   9.6043   9.0045   7.4384   63.187   23.836   60.624   21.248 2.562893 31.93192 
1 1 1    2   11   60 o  148.614   11.196   53.797   7.6851   46.764   9.9900   63.993   12.028  137.126   15.588  160.102   16.076 -22.97557 22.39250 
1 1 1    2   11   61 o   53.220   14.628   5.0994   5.3820   8.9306   7.7544   1.5385   7.4758   60.216   21.635   46.224   19.692 13.99189 29.25504 
1 1 1    2   11   62 o   88.140   16.621   22.405   7.0326   19.186   10.050   25.493   9.8444   81.220   24.463   95.060   22.507 -13.83998 33.24179 
1 1 1    2   11   63 o   40.840   12.650  -0.5280   4.7542   2.5755   5.9485  -6.0161   7.9102   43.834   18.036   37.846   17.743 5.988388 25.30021 
1 1 1    2   11   64 f   71.401   14.174   14.263   5.1260   19.361   7.3508   9.4377   7.1518   83.542   19.226   59.261   20.831 24.28077 28.34778 
1 1 1    2   11   65 o   93.862   13.357   24.494   5.6559   26.589   8.0819   22.484   7.9178   98.394   18.247   89.329   19.512 9.065536 26.71470 
1 1 1    2   11   66 o   50.795   15.424   3.8844   5.8630   3.6856   6.7362   4.5053   11.907   46.336   19.143   55.254   24.190 -8.917507 30.84813 
1 1 1    2   11   67 o   38.854   12.569  -1.6348   5.0057  -2.4039   6.4549  -0.4744   7.9284   35.958   16.572   41.749   18.903 -5.790783 25.13897 
1 1 1    2   11   68 o   55.401   15.344   8.7385   5.9787   4.7258   8.5254   12.622   8.3866   48.703   20.895   62.099   22.475 -13.39550 30.68757 
1 1 1    2   11   69 o   69.457   15.371   16.330   5.7426   12.550   8.9442   18.981   7.4903   61.199   23.020   77.714   20.374 -16.51528 30.74104 
1 1 1    2   11   70 o   46.802   13.060   4.7076   4.6476   10.905   6.6735  -1.1291   6.4764   57.411   20.126   36.194   16.650 21.21730 26.12071 
1 1 1    2   12    0 o  1125.72   50.262  3188.15  370.546  3188.15  370.546  3188.15  370.546  1125.72   71.081  1125.72   71.081 -0.000000 0.000000 
1 1 1    2   12    1 f  590.862   28.703  840.350   78.035  910.598  123.399  793.538  100.734  609.487   43.322  572.236   37.667 37.25055 57.40690 
1 1 1    2   12    2 o   99.157   11.718   26.735   4.3139   18.060   8.5623   29.686   4.9941   85.736   21.428  112.578   9.4921 -26.84236 23.43652 
1 1 1    2   12    3 o  154.953   12.757   59.843   7.7348   50.556   15.496   62.924   8.9263  146.101   22.695  163.805   11.660 -17.70416 25.51484 
1 1 1    2   12    4 o  753.871   68.697  1805.36  178.331  1276.09  356.624  1981.83  205.927  615.048  128.223  892.694   49.359 -277.6458 137.3948 
1 1 1    2   12    5 o  531.099   39.134  786.881   77.422  568.732  154.781  859.677   89.412  463.549   71.446  598.649   31.958 -135.0999 78.26772 
1 1 1    2   12    6 o  408.146   22.285  399.082   42.492  411.369   60.085  386.789   60.101  414.590   31.010  401.701   32.013 12.88885 44.56999 
1 1 1    2   12    7 o  367.386   23.882  313.841   39.152  357.737   67.817  291.898   47.949  384.869   37.704  349.904   29.322 34.96515 47.76331 
1 1 1    2   12    8 o  149.839   13.994   57.649   8.5390   64.871   10.481   43.394   14.725  166.293   13.487  133.384   24.525 32.90842 27.98877 
1 1 1    2   12    9 o  421.660   27.916  440.008   50.902  393.053   88.163  463.488   62.344  401.781   46.952  441.540   30.212 -39.75977 55.83229 
1 1 1    2   12   10 o  490.113   54.610  589.857  125.087   0.0000   0.0000  589.857  125.087  ?   ?   490.113   54.610      ?      ? 
1 1 1    2   12   11 o  884.519   76.741  2206.78  289.065  2955.37  408.868  1458.71  408.730  1069.99   81.764  699.050  129.889 370.9393 153.4816 
1 1 1    2   12   12 o  150.593   15.406   54.841   10.324   41.647   14.565   68.163   14.635  130.814   24.730  170.371   18.380 -39.55721 30.81230 
1 1 1    2   12   13 o  608.343   39.975  890.536  107.687  863.056  131.879  945.521  186.549  598.448   47.153  618.238   64.565 -19.79071 79.94992 
1 1 1    2   12   14 o  137.073   13.541   44.016   8.6743   44.016   8.6743   0.0000   0.0000  137.073   13.541  ?   ?       ?      ? 
1 1 1    2   12   15 o  932.490   50.743  2189.98  218.000  1793.48  308.275  2586.60  308.323  841.500   78.386  1023.48   64.459 -181.9802 101.4860 
1 1 1    2   12   16 o  392.083   27.058  382.922   45.448  413.581   55.680  321.726   78.666  418.383   28.476  365.783   46.017 52.59918 54.11552 
1 1 1    2   12   17 o  630.548   33.740  964.636   98.302  1126.66  139.043  802.714  138.999  685.509   43.400  575.586   51.672 109.9226 67.48030 
1 1 1    2   12   18 o  603.975   31.635  897.656   85.676  615.012  121.123  1180.68  121.204  503.780   51.445  704.170   36.830 -200.3897 63.26929 
1 1 1    2   12   19 o  631.718   33.704  964.357   99.198  879.827  140.278  1048.91  140.298  603.083   49.770  660.352   45.460 -57.26825 67.40703 
1 1 1    2   12   20 o  431.946   26.644  425.806   51.546  382.733   63.116  512.066   89.319  401.440   33.642  462.451   41.327 -61.01068 53.28890 
1 1 1    2   12   21 o  385.506   20.448  352.529   36.662  392.308   51.872  312.824   51.823  407.562   27.233  363.450   30.510 44.11218 40.89579 
1 1 1    2   12   22 o  641.815   34.837  997.252  104.387  1047.29  147.627  947.215  147.626  658.497   47.970  625.134   50.530 33.36328 69.67316 
1 1 1    2   12   23 o  254.941   19.190  168.111   20.331  118.029   34.927  193.778   25.003  222.721   33.555  287.162   18.631 -64.44127 38.38011 
1 1 1    2   12   24 o  317.251   25.384  238.137   37.636   0.0000   0.0000  238.137   37.636  ?   ?   317.251   25.384      ?      ? 
1 1 1    2   12   25 o  350.526   39.456  296.331   64.636  296.331   64.636   0.0000   0.0000  350.526   39.456  ?   ?       ?      ? 
1 1 1    2   12   26 o  183.841   16.591   79.902   14.252   78.516   20.190   81.278   20.122  182.230   23.707  185.452   23.217 -3.221893 33.18177 
1 1 1    2   12   27 o  449.087   50.660  498.521  106.326   0.0000   0.0000  498.521  106.326  ?   ?   449.087   50.660      ?      ? 
1 1 1    2   12   28 o  114.829   13.740   30.948   7.3736   30.948   7.3736   0.0000   0.0000  114.829   13.740  ?   ?       ?      ? 
1 1 1    2   12   29 o  311.999   21.766  233.494   29.746  235.237   36.342  229.956   51.778  315.000   24.687  308.997   35.855 6.003113 43.53176 
1 1 1    2   12   30 o  141.486   15.824   53.337   9.0366   35.547   15.439   62.608   11.145  119.752   28.074  163.221   14.611 -43.46970 31.64863 
1 1 1    2   12   31 o  307.081   17.377  224.383   24.873  205.300   35.072  243.696   35.282  293.719   25.550  320.442   23.559 -26.72348 34.75362 
1 1 1    2   12   32 o  425.840   29.985  448.976   55.802  456.372   68.317  434.151   96.727  435.005   33.604  416.676   49.671 18.32861 59.97057 
1 1 1    2   12   33 o  202.823   18.745   98.732   17.746  102.118   24.807   95.184   25.397  206.542   25.700  199.104   27.294 7.438171 37.48919 
1 1 1    2   12   34 o  142.270   16.962   49.829   10.628   31.509   14.550   70.780   15.560  111.980   27.904  172.561   19.294 -60.58077 33.92448 
1 1 1    2   12   35 o  243.359   21.591  145.109   24.450  158.996   34.423  130.972   34.733  255.728   28.802  230.989   32.174 24.73859 43.18288 
1 1 1    2   12   36 o  272.651   23.033  183.017   29.335  189.717   41.589  176.383   41.385  277.847   32.028  267.454   33.109 10.39334 46.06531 
1 1 1    2   12   37 o  272.299   20.258  184.133   24.025  190.784   29.477  170.973   41.462  281.992   22.367  262.606   33.784 19.38611 40.51684 
1 1 1    2   12   38 o  244.286   21.607  147.361   24.620  138.318   35.003  156.215   34.635  236.377   31.685  252.195   29.386 -15.81865 43.21436 
1 1 1    2   12   39 o  102.271   14.378   24.617   6.4520   32.036   10.804   20.504   8.0439  113.697   21.110   90.845   19.527 22.85222 28.75662 
1 1 1    2   12   40 o   69.641   14.514   10.045   5.3046   19.390   8.6125   4.3336   6.7334   87.885   21.211   51.396   19.817 36.48846 29.02830 
1 1 1    2   12   41 o  269.609   20.400  182.746   24.035  175.593   41.508  186.355   29.481  262.464   33.839  276.755   22.793 -14.29089 40.79979 
1 1 1    2   12   42 o  233.721   13.852  131.853   15.122  125.917   21.262  137.928   21.511  228.267   19.931  239.174   19.244 -10.90671 27.70500 
1 1 1    2   12   43 o  167.211   11.972   67.046   9.3538   65.853   13.080   68.296   13.382  165.699   16.890  168.724   16.971 -3.025040 23.94330 
1 1 1    2   12   44 o  113.965   13.880   29.455   6.9542   46.764   11.692   19.980   8.6506  139.168   17.977   88.762   21.154 50.40630 27.76043 
1 1 1    2   12   45 o  109.678   15.502   31.377   7.3681   26.498   12.498   33.976   9.1218  100.642   26.285  118.714   16.441 -18.07291 31.00381 
1 1 1    2   12   46 o  105.100   17.856   28.632   8.6850   24.351   11.885   33.538   12.723   96.465   25.842  113.734   24.648 -17.26981 35.71146 
1 1 1    2   12   47 o   72.011   15.396   13.791   5.9596   17.793   7.0950   4.2008   10.983   84.050   18.558   59.971   24.572 24.07851 30.79255 
1 1 1    2   12   48 o   41.716   12.981  -1.1396   4.1735  -1.8323   4.7658   1.1388   8.6434   33.338   14.911   50.094   21.252 -16.75596 25.96104 
1 1 1    2   12   49 o   47.701   11.474   3.2429   3.9957   9.9295   5.0613  -7.8190   6.5099   62.757   16.886   32.645   15.540 30.11144 22.94811 
1 1 1    2   12   50 o  140.279   17.097   57.414   8.7981   63.721   10.149   38.339   17.650  163.003   13.322  117.555   31.492 45.44787 34.19423 
1 1 1    2   12   51 o   62.594   14.119   10.280   5.0199   13.729   5.7491  -0.7894   10.299   73.695   17.034   51.492   22.522 22.20269 28.23780 
1 1 1    2   12   52 o  133.078   15.747   45.212   8.7050   45.672   10.455   44.171   15.716  137.181   16.308  128.975   26.942 8.205933 31.49336 
1 1 1    2   12   53 o   88.041   13.716   20.202   5.6145   24.601   7.6122   14.953   8.3145  100.306   16.238   75.776   22.109 24.53074 27.43142 
1 1 1    2   12   54 o  142.351   12.924   51.126   7.7757   29.985   10.586   75.898   11.459  107.371   21.839  177.332   13.827 -69.96106 25.84805 
1 1 1    2   12   55 o   96.382   12.894   23.361   5.5181   21.828   7.1422   25.631   8.6915   92.884   17.083   99.880   19.318 -6.995888 25.78795 
1 1 1    2   12   56 o  127.767   11.776   40.482   6.8623   40.964   8.8441   39.751   10.878  129.537   14.609  125.998   18.473 3.538643 23.55172 
1 1 1    2   12   57 o  151.522   12.745   57.658   8.9909   63.026   12.712   52.285   12.718  159.108   17.096  143.936   18.906 15.17229 25.48919 
1 1 1    2   12   58 o  108.585   13.997   30.765   6.8993   34.405   9.6144   26.900   9.9063  117.029   17.579  100.141   21.786 16.88781 27.99391 
1 1 1    2   12   59 o   70.617   16.238   11.370   6.4472   4.8783   8.2714   21.420   10.292   53.617   21.558   87.618   24.289 -34.00121 32.47662 
1 1 1    2   12   60 o   54.767   12.978   4.5346   4.5399  -2.2604   5.8909   14.473   7.1244   36.188   16.348   73.346   20.160 -37.15815 25.95539 
1 1 1    2   12   61 o   66.653   17.413   11.366   6.7369   12.228   12.599   11.021   7.9724   69.083   26.976   64.223   22.027 4.860184 34.82668 
1 1 1    2   12   62 o   49.990   15.818  -1.4957   7.7588  -6.5996   11.406   2.8997   10.585   46.017   21.487   53.962   23.220 -7.945602 31.63638 
1 1 1    2   12   63 o   52.284   15.633   3.5120   6.4062   1.8322   8.1283   6.2663   10.408   47.220   20.333   57.347   23.752 -10.12694 31.26639 
1 1 1    2   12   64 o   42.191   12.027  -1.3481   4.5783   8.4512   6.2869 -12.4126   6.6804   55.931   19.538   28.451   14.028 27.48066 24.05302 
1 1 1    2   12   65 o   43.318   13.175  -1.2770   4.8913  -6.0488   6.1311   7.0771   8.1123   31.823   15.129   54.814   21.575 -22.99134 26.35025 
1 1 1    2   12   66 o   47.040   13.977   4.0334   5.1290   4.0869   6.5934   3.9515   8.1624   45.922   18.953   48.158   20.547 -2.235958 27.95345 
1 1 1    2   12   67 o  113.859   13.562   36.696   6.9628   30.683   8.9566   45.880   11.070  101.644   19.565  126.076   18.787 -24.43212 27.12434 
1 1 1    2   12   68 o   43.548   13.139   2.4331   4.9867  -2.4617   7.4704   6.3672   6.6972   37.858   17.580   49.238   19.532 -11.37989 26.27847 
1 1 1    2   12   69 o   53.724   14.065   8.0567   5.4353  -0.4007   8.1433   14.851   7.2991   40.774   18.725   66.675   20.991 -25.90083 28.12926 
1 1 1    2   13    0 o  485.539   21.614  561.770   68.733  561.770   68.733  561.770   68.733  485.539   30.567  485.539   30.567 -0.000000 0.000000 
1 1 1    2   13    1 o  309.854   13.886  226.067   20.076  211.253   28.384  240.897   28.400  299.619   20.270  320.089   18.985 -20.46991 27.77248 
1 1 1    2   13    2 o  912.970   55.768  2077.51  207.396  2311.06  414.819  1999.67  239.475  925.164   95.939  900.776   56.886 24.38873 111.5363 
1 1 1    2   13    3 o  472.829   28.176  516.667   54.717  577.932  109.467  496.261   63.175  488.109   47.987  457.548   29.544 30.56036 56.35220 
1 1 1    2   13    4 o  406.767   27.832  401.464   49.447  380.874   85.643  411.760   60.560  396.986   46.161  416.549   31.109 -19.56268 55.66490 
1 1 1    2   13    5 o  377.231   18.040  329.121   31.368  376.839   49.609  297.335   40.489  399.391   26.578  355.071   24.400 44.32028 36.07937 
1 1 1    2   13    6 o  431.292   22.414  400.030   40.604  538.548   81.286  353.975   46.871  475.321   36.592  387.263   25.897 88.05826 44.82891 
1 1 1    2   13    7 o  116.360   10.774   31.692   5.8591   0.0000   0.0000   31.692   5.8591  ?   ?   116.360   10.774      ?      ? 
1 1 1    2   13    8 o  264.037   19.116  168.947   21.895  152.406   37.936  177.210   26.812  253.542   32.015  274.531   20.898 -20.98990 38.23194 
1 1 1    2   13    9 o  577.428   45.381  824.211  122.318  779.716  172.973  868.718  172.994  560.940   65.981  593.916   62.325 -32.97638 90.76284 
1 1 1    2   13   10 o  129.923   11.764   39.211   6.7474   38.451   8.2432   40.755   11.746  128.111   13.768  131.735   19.078 -3.624146 23.52750 
1 1 1    2   13   11 o  713.640   46.721  1251.21  147.027  1231.53  180.063  1290.60  254.678  711.881   54.122  715.398   76.173 -3.516357 93.44255 
1 1 1    2   13   12 o  344.586   25.926  301.976   37.647  336.572   46.113  232.833   65.190  377.760   26.119  311.413   44.792 66.34683 51.85135 
1 1 1    2   13   13 o  1082.47   60.838  3016.48  307.767  3039.30  435.249  2993.66  435.248  1086.99   85.678  1077.96   86.395 9.021851 121.6753 
1 1 1    2   13   14 o  342.439   21.654  271.132   33.006  298.568   57.153  257.403   40.429  354.546   34.492  330.332   26.188 24.21344 43.30721 
1 1 1    2   13   15 o  259.409   15.984  146.403   18.589  116.758   22.726  206.339   32.315  222.790   21.827  296.029   23.357 -73.23827 31.96840 
1 1 1    2   13   16 o  537.997   26.362  691.298   66.028  622.795   93.372  759.816   93.383  510.750   39.117  565.244   35.350 -54.49469 52.72332 
1 1 1    2   13   17 o  1085.17   69.251  2950.89  337.433  3832.99  584.534  2510.02  413.240  1189.68  105.133  980.667   90.165 209.0083 138.5014 
1 1 1    2   13   18 o   77.957   11.772   15.725   4.0020   11.020   6.9461   18.063   4.8963   68.085   20.299   87.829   11.929 -19.74396 23.54472 
1 1 1    2   13   19 o   58.972   12.197   6.2155   3.3027   13.628   6.6965   3.8329   3.7965   74.754   19.098   43.191   15.178 31.56276 24.39466 
1 1 1    2   13   20 o  630.042   36.630  918.905  103.460  1129.35  179.267  813.802  126.688  679.278   56.469  580.805   46.673 98.47314 73.26028 
1 1 1    2   13   21 o  561.083   40.460  811.717   96.727  677.475  167.452  878.938  118.495  517.824   69.194  604.343   41.954 -86.51904 80.91910 
1 1 1    2   13   22 o  324.506   22.561  246.482   32.542  265.677   56.240  236.821   39.899  332.927   36.145  316.085   27.010 16.84259 45.12197 
1 1 1    2   13   23 o  164.943   15.720   64.774   11.935   51.741   16.810   78.022   16.947  147.903   24.319  181.983   19.926 -34.08037 31.43981 
1 1 1    2   13   24 o  621.121   50.507  1004.21  144.452  824.793  204.245  1183.77  204.327  559.300   78.138  682.941   64.018 -123.6406 101.0139 
1 1 1    2   13   25 o  119.799   13.679   37.354   6.7417   43.086   8.3529   26.642   11.419  135.526   13.188  104.073   23.971 31.45248 27.35899 
1 1 1    2   13   26 o  358.832   29.191  306.859   48.954  306.859   48.954   0.0000   0.0000  358.832   29.191  ?   ?       ?      ? 
1 1 1    2   13   27 f  202.339   12.798   96.812   12.037  107.540   16.942   85.875   17.106  213.802   16.956  190.877   19.176 22.92519 25.59697 
1 1 1    2   13   28 o  320.242   17.223  243.911   25.661  217.198   36.235  270.785   36.345  302.347   25.644  338.137   22.999 -35.79016 34.44650 
1 1 1    2   13   29 o  114.828   10.008   30.733   5.3491   27.873   7.1978   34.260   7.9943  108.911   14.141  120.746   14.167 -11.83511 20.01651 
1 1 1    2   13   30 o  280.225   19.763  186.571   24.341  184.866   29.705  190.056   42.464  279.281   22.759  281.169   32.315 -1.887726 39.52513 
1 1 1    2   13   31 o   81.426   15.285   15.609   5.5141   14.717   6.5399   17.801   10.256   77.418   18.355   85.435   24.447 -8.017227 30.57063 
1 1 1    2   13   32 o  314.470   19.927  224.584   28.108  191.220   34.357  292.116   48.880  282.016   26.067  346.924   30.148 -64.90854 39.85461 
1 1 1    2   13   33 o  163.903   23.260   64.391   17.817   64.391   17.817   0.0000   0.0000  163.903   23.260  ?   ?       ?      ? 
1 1 1    2   13   34 o   91.238   22.890   20.717   9.7440   20.717   9.7440   0.0000   0.0000   91.238   22.890  ?   ?       ?      ? 
1 1 1    2   13   35 o   89.956   23.111   20.152   9.7681   20.152   9.7681   0.0000   0.0000   89.956   23.111  ?   ?       ?      ? 
1 1 1    2   13   36 o  362.936   30.710  339.747   52.071  349.785   73.731  329.758   73.549  368.793   42.778  357.079   44.073 11.71451 61.41961 
1 1 1    2   13   37 o  290.200   24.978  211.951   33.846  221.734   47.883  202.183   47.847  297.399   34.450  283.000   36.177 14.39896 49.95578 
1 1 1    2   13   38 f  198.209   16.242   96.117   14.083   92.623   24.385   97.865   17.251  194.157   26.874  202.261   18.250 -8.104645 32.48495 
1 1 1    2   13   39 o  184.299   12.369   81.290   10.650   82.950   14.987   79.597   15.137  186.267   17.216  182.331   17.764 3.936340 24.73807 
1 1 1    2   13   40 o  107.130   12.084   27.796   5.8669   23.487   8.1157   32.513   8.4910   97.430   18.500  116.831   15.551 -19.40074 24.16793 
1 1 1    2   13   41 o  368.956   26.666  349.089   43.616  330.709   53.383  385.997   75.648  360.716   31.666  377.195   42.913 -16.47858 53.33149 
1 1 1    2   13   42 o   91.765   15.029   20.692   5.9253   19.867   7.0841   22.613   10.811   89.479   17.567   94.051   24.390 -4.571693 30.05783 
1 1 1    2   13   43 o  201.273   17.196  103.805   14.942   90.639   25.628  110.585   18.391  188.770   29.050  213.775   18.408 -25.00533 34.39147 
1 1 1    2   13   44 o  220.007   17.180  120.339   16.711  123.166   28.710  118.890   20.551  219.602   27.974  220.412   19.950 -0.8092041 34.35936 
1 1 1    2   13   45 o  272.802   25.338  201.279   32.296  205.922   45.715  196.652   45.633  276.399   35.390  269.205   36.271 7.193329 50.67556 
1 1 1    2   13   46 o  187.570   16.144   87.141   13.142   86.976   15.922   87.494   23.279  189.349   17.993  185.790   26.810 3.558090 32.28840 
1 1 1    2   13   47 o   81.479   15.466   16.068   5.6576   14.258   6.7790   20.222   10.270   74.861   19.264   88.096   24.201 -13.23466 30.93229 
1 1 1    2   13   48 o  324.629   20.103  276.806   30.398  253.443   42.974  300.204   43.005  309.233   29.735  340.026   27.062 -30.79330 40.20630 
1 1 1    2   13   49 o   63.775   14.307   10.407   5.4476   15.242   6.4268  -1.9359   10.268   77.458   18.082   50.092   22.175 27.36536 28.61334 
1 1 1    2   13   50 o  158.713   12.849   55.949   8.3374   50.399   9.5046   74.474   17.365  144.750   14.050  172.676   21.517 -27.92618 25.69826 
1 1 1    2   13   51 o   42.400   13.421  -4.8482   5.2726  -8.5274   6.4723   2.4109   9.0912   31.889   15.266   52.911   22.079 -21.02143 26.84282 
1 1 1    2   13   52 o   83.789   16.227   16.827   6.1728   13.650   7.3924   24.142   11.218   72.685   20.741   94.893   24.961 -22.20859 32.45401 
1 1 1    2   13   53 o   89.725   16.219   18.731   6.5861   13.309   7.9422   30.669   11.785   71.916   21.766  107.534   24.052 -35.61766 32.43849 
1 1 1    2   13   54 o   51.844   14.843   3.7432   4.8612   3.4721   5.5296   4.6657   10.200   45.724   17.867   57.965   23.706 -12.24107 29.68535 
1 1 1    2   13   55 o  128.976   12.972   41.702   7.7744   46.556   11.005   36.865   10.984  137.006   17.187  120.946   19.433 16.06068 25.94320 
1 1 1    2   13   56 o  105.290   14.046   29.148   6.6523   17.270   9.2267   42.007   9.5999   80.042   23.272  130.537   15.736 -50.49429 28.09283 
1 1 1    2   13   57 o   93.008   14.927   23.536   6.3769   27.824   8.6727   18.490   9.4090  103.702   18.577   82.313   23.369 21.38866 29.85317 
1 1 1    2   13   58 o   75.603   14.332   15.547   5.1453   16.895   6.5727   13.414   8.2692   80.389   17.949   70.816   22.348 9.573174 28.66330 
1 1 1    2   13   59 o   84.109   15.155   21.289   6.0170   24.744   6.9636   11.109   11.953   99.902   14.915   68.316   26.387 31.58663 30.31027 
1 1 1    2   13   60 o   95.043   14.962   25.275   6.7030   17.199   9.7453   32.526   9.2343   77.579   24.227  112.507   17.562 -34.92715 29.92307 
1 1 1    2   13   61 o   67.487   15.749   12.272   5.7340   14.349   8.7400   10.702   7.5976   71.596   23.016   63.378   21.504 8.218018 31.49878 
1 1 1    2   13   62 o   51.216   15.355   2.8596   6.5916   6.6059   8.3524  -3.3261   10.733   55.378   21.861   47.053   21.568 8.324684 30.70968 
1 1 1    2   13   63 o   54.621   20.175   7.6964   6.8085   7.6964   6.8085   0.0000   0.0000   54.621   20.175  ?   ?       ?      ? 
1 1 1    2   13   64 o   46.087   13.823   2.6002   5.1672   3.2391   6.9580   1.8146   7.7155   46.419   19.339   45.755   19.756 0.6646118 27.64575 
1 1 1    2   13   65 o   53.724   13.632   7.7912   4.4557   5.3445   6.3426   10.175   6.2609   48.204   19.044   59.243   19.511 -11.03854 27.26405 
1 1 1    2   13   66 o   41.211   12.788  -0.1255   5.0869  -6.5720   7.6070   5.0892   6.8417   34.755   16.614   47.666   19.446 -12.91133 25.57667 
1 1 1    2   13   67 o   50.110   14.739   6.1408   5.7025   5.8057   8.0325   6.4813   8.0969   49.546   20.721   50.674   20.965 -1.128052 29.47745 
1 1 1    2   13   68 o   63.451   12.806   12.787   5.2486  -1.1171   8.4457   21.535   6.6993   40.960   18.905   85.942   17.279 -44.98228 25.61128 
1 1 1    2   13   69 o   40.479   12.750   1.0444   4.8705   4.8881   7.4550  -1.8180   6.4333   45.790   19.589   35.169   16.326 10.62108 25.50045 
1 1 1    2   14    0 o  310.818   14.064  229.110   28.621  229.110   28.621  229.110   28.621  310.818   19.890  310.818   19.890 -0.000000 0.000000 
1 1 1    2   14    1 o  1205.75   61.486  3727.72  339.828  3855.61  537.317  3642.46  438.714  1212.19   94.846  1199.32   78.271 12.86279 122.9721 
1 1 1    2   14    2 o  241.200   12.672  137.891   13.919  130.208   21.999  143.019   17.974  235.413   19.995  246.986   15.571 -11.57285 25.34331 
1 1 1    2   14    3 o  706.107   49.429  1321.55  134.457  1086.78  268.888  1399.83  155.262  648.018   88.785  764.195   43.473 -116.1765 98.85707 
1 1 1    2   14    4 o  567.659   47.427  946.838   92.332  567.060  184.601  1073.55  106.628  462.774   88.580  672.545   33.924 -209.7710 94.85423 
1 1 1    2   14    5 o  304.642   16.818  197.348   21.533  268.649   43.152  173.705   24.848  337.347   27.370  271.938   19.552 65.40897 33.63625 
1 1 1    2   14    6 o  740.417   42.613  1277.70  141.523  1589.68  245.172  1121.81  173.313  801.665   65.439  679.168   54.602 122.4968 85.22700 
1 1 1    2   14    7 o  187.826   14.397   82.928   11.912   82.837   20.624   82.974   14.593  187.571   23.527  188.081   16.601 -0.5104065 28.79453 
1 1 1    2   14    8 o  717.346   43.756  1238.19  139.434  1179.23  170.761  1356.13  241.535  697.359   52.395  737.333   70.093 -39.97382 87.51151 
1 1 1    2   14    9 o  359.906   28.339  341.586   41.819  396.303   51.231  232.312   72.398  409.802   26.749  310.010   49.970 99.79263 56.67878 
1 1 1    2   14   10 o  416.671   31.476  411.270   61.293  411.270   61.293   0.0000   0.0000  416.671   31.476  ?   ?       ?      ? 
1 1 1    2   14   11 o  498.036   26.846  593.079   62.179  659.748   87.947  526.450   87.921  526.669   35.731  469.403   40.078 57.26630 53.69294 
1 1 1    2   14   12 o  561.014   29.883  758.891   77.507  633.828  109.588  884.061  109.634  513.297   45.683  608.731   38.537 -95.43396 59.76633 
1 1 1    2   14   13 o  691.785   37.242  1164.29  120.104  1072.53  169.842  1256.07  169.862  663.402   54.781  720.168   50.469 -56.76599 74.48480 
1 1 1    2   14   14 o  529.593   28.699  671.924   70.864  619.753  100.203  724.125  100.230  508.509   42.164  550.676   38.946 -42.16608 57.39811 
1 1 1    2   14   15 o  688.294   36.716  1150.22  118.106  1145.70  167.027  1154.75  167.029  686.888   52.030  689.701   51.819 -2.812561 73.43266 
1 1 1    2   14   16 o  408.655   32.268  402.544   61.470  370.322   86.949  434.740   86.913  391.787   47.487  425.522   43.704 -33.73447 64.53696 
1 1 1    2   14   17 o  242.737   14.590  139.419   16.407  159.718   23.132  118.867   23.275  260.747   18.982  224.728   22.161 36.01945 29.17940 
1 1 1    2   14   18 o  435.501   28.647  438.916   55.764  509.742   96.551  403.465   68.310  459.639   44.947  411.363   35.531 48.27512 57.29480 
1 1 1    2   14   19 o  228.227   20.215  122.646   21.562   0.0000   0.0000  122.646   21.562  ?   ?   228.227   20.215      ?      ? 
1 1 1    2   14   20 o  133.811   15.039   50.214   7.9114   26.271   13.330   63.234   9.8300  103.395   27.215  164.227   12.808 -60.83153 30.07783 
1 1 1    2   14   21 o  150.808   14.929   53.809   10.462   47.081   14.756   60.609   14.834  141.215   22.359  160.402   19.788 -19.18680 29.85792 
1 1 1    2   14   22 o  497.684   39.822  620.113   91.928  702.308  130.028  537.974  129.983  533.005   52.199  462.364   60.153 70.64133 79.64388 
1 1 1    2   14   23 o  116.147   11.988   31.467   6.2042   30.877   7.6584   32.593   10.583  114.686   14.288  117.609   19.253 -2.922722 23.97614 
1 1 1    2   14   24 o   96.677   15.308   23.476   6.9370   15.237   10.422   30.031   9.2952   80.398   25.045  112.956   17.608 -32.55759 30.61538 
1 1 1    2   14   25 o  329.793   18.425  258.458   28.354  241.699   40.059  275.285   40.139  318.903   26.878  340.684   25.210 -21.78055 36.85048 
1 1 1    2   14   26 o  191.440   11.894   86.368   10.606   77.736   14.908   95.214   15.091  181.681   17.557  201.199   16.049 -19.51862 23.78717 
1 1 1    2   14   27 o  221.198   14.471  119.565   14.232  160.132   20.039   78.281   20.215  260.797   16.441  181.600   23.819 79.19676 28.94239 
1 1 1    2   14   28 o  441.223   22.011  467.094   45.387  464.417   64.150  469.777   64.224  439.931   31.201  442.516   31.055 -2.585724 44.02153 
1 1 1    2   14   29 o  437.011   23.681  465.085   47.678  377.788   67.391  552.567   67.463  394.231   36.577  479.792   30.086 -85.56097 47.36120 
1 1 1    2   14   30 o  198.493   13.900   85.484   12.297   67.476   14.912  123.748   21.737  168.736   18.910  228.251   20.378 -59.51498 27.80011 
1 1 1    2   14   32 o  192.354   25.525   89.210   22.946   89.210   22.946   0.0000   0.0000  192.354   25.525  ?   ?       ?      ? 
1 1 1    2   14   33 o  375.030   44.618  361.555   78.203   0.0000   0.0000  361.555   78.203  ?   ?   375.030   44.618      ?      ? 
1 1 1    2   14   34 o  282.663   33.767  197.990   44.607   0.0000   0.0000  197.990   44.607  ?   ?   282.663   33.767      ?      ? 
1 1 1    2   14   35 o  337.771   22.792  272.799   34.311  315.747   59.662  251.576   41.940  354.579   36.003  320.964   27.959 33.61566 45.58455 
1 1 1    2   14   36 o  455.709   42.812  602.755   90.118  688.657  127.467  516.909  127.425  496.013   54.987  415.405   65.636 80.60727 85.62495 
1 1 1    2   14   37 o  310.010   17.996  236.649   25.814  199.372   36.415  274.300   36.598  284.189   27.418  335.831   23.318 -51.64203 35.99265 
1 1 1    2   14   38 o  179.405   12.019   76.949   10.070   80.300   14.238   73.595   14.243  183.404   16.612  175.405   17.375 7.998383 24.03804 
1 1 1    2   14   39 o  207.872   13.271  103.936   12.881   98.818   18.186  109.088   18.247  202.596   19.207  213.147   18.318 -10.55107 26.54125 
1 1 1    2   14   40 o  252.967   15.103  155.620   17.852  151.501   25.161  159.797   25.333  249.493   21.579  256.441   21.137 -6.947311 30.20649 
1 1 1    2   14   41 o  339.747   28.348  322.234   40.717  274.201   70.531  346.243   49.865  309.020   48.837  370.474   28.800 -61.45474 56.69671 
1 1 1    2   14   42 o   75.448   17.107   13.883   6.8457   11.929   9.3847   16.106   10.008   70.906   23.901   79.991   24.481 -9.085022 34.21351 
1 1 1    2   14   43 o  147.395   17.343   55.074   11.699   52.791   16.445   57.413   16.647  143.051   25.535  151.740   23.475 -8.688782 34.68627 
1 1 1    2   14   44 o  181.821   25.816   83.425   21.937   83.425   21.937   0.0000   0.0000  181.821   25.816  ?   ?       ?      ? 
1 1 1    2   14   45 o  123.261   14.486   36.242   7.5801   33.660   9.0740   42.205   13.790  118.123   16.437  128.398   23.859 -10.27509 28.97250 
1 1 1    2   14   46 o  118.788   15.302   36.575   7.5961   38.161   9.1802   33.131   13.527  125.695   15.627  111.881   26.312 13.81448 30.60300 
1 1 1    2   14   47 o   90.416   13.193   20.715   5.3888   18.985   7.4608   22.601   7.7918   86.269   19.017   94.562   18.292 -8.292740 26.38675 
1 1 1    2   14   48 o   97.356   12.968   23.895   5.7159   26.106   7.7385   21.241   8.4792  103.760   15.958   90.952   20.445 12.80819 25.93604 
1 1 1    2   14   49 o  143.788   17.256   59.128   10.106   37.092   16.921   71.345   12.600  115.962   30.730  171.613   15.710 -55.65129 34.51237 
1 1 1    2   14   50 o  128.370   26.242   43.516   15.212   0.0000   0.0000   43.516   15.212  ?   ?   128.370   26.242      ?      ? 
1 1 1    2   14   51 o  178.967   20.746   87.713   16.564  105.248   23.228   69.571   23.626  201.814   24.627  156.120   33.392 45.69446 41.49109 
1 1 1    2   14   52 o   94.491   15.835   24.486   7.0780   16.207   11.390   29.693   9.0339   79.162   26.328  109.821   17.601 -30.65965 31.66982 
1 1 1    2   14   53 o  124.727   12.894   38.961   7.1458   28.855   9.7871   50.500   10.458  105.617   20.568  143.838   15.557 -38.22119 25.78833 
1 1 1    2   14   54 f  149.099   12.274   57.039   8.0831   62.418   10.258   48.228   13.128  160.350   13.688  137.848   20.378 22.50250 24.54872 
1 1 1    2   14   55 o   79.092   14.542   15.993   5.5179   11.217   7.3146   22.301   8.4056   66.015   21.038   92.169   20.081 -26.15421 29.08400 
1 1 1    2   14   56 o   99.984   16.665   27.037   7.2541   26.726   8.7446   27.724   12.990  101.304   19.172   98.664   27.264 2.640800 33.33049 
1 1 1    2   14   57 o   86.965   13.580   21.300   5.4384   26.419   6.9363   13.133   8.7618  103.634   14.321   70.296   23.077 33.33741 27.16002 
1 1 1    2   14   58 o   54.690   13.782   6.5020   4.9975   11.258   6.3371  -1.3213   8.1275   65.307   19.370   44.072   19.609 21.23471 27.56319 
1 1 1    2   14   59 o   79.768   14.847   17.590   6.0566   9.0995   8.5970   25.956   8.5339   60.961   22.639   98.574   19.215 -37.61364 29.69421 
1 1 1    2   14   60 o   56.945   14.621   6.4508   5.5527  -0.2604   7.7339   13.591   7.9772   43.886   19.346   70.004   21.929 -26.11821 29.24276 
1 1 1    2   14   61 o   72.749   17.798   13.688   8.2930   24.685   11.710   2.6226   11.746   90.328   26.204   55.169   24.093 35.15926 35.59677 
1 1 1    2   14   62 o  116.098   17.353   38.009   8.8475   29.965   10.926   53.328   15.079   99.774   23.770  132.421   25.287 -32.64616 34.70521 
1 1 1    2   14   63 o   41.397   12.221   0.9718   4.2387  -3.7888   6.1217   5.3560   5.8748   34.218   15.898   48.576   18.565 -14.35839 24.44224 
1 1 1    2   14   64 o   43.874   13.166   2.5417   4.7117   3.6193   6.3066   1.1803   7.0883   45.045   18.557   42.703   18.681 2.342152 26.33104 
1 1 1    2   14   65 o   82.924   15.987   18.700   5.8285   13.985   6.7691   32.215   11.462   67.786   19.998   98.061   24.949 -30.27493 31.97432 
1 1 1    2   14   66 o   64.392   15.494   14.209   5.8374   16.356   6.9320   8.9744   10.823   72.660   19.851   56.124   23.794 16.53612 30.98704 
1 1 1    2   14   67 o   63.256   14.677   12.298   5.6282   20.189   8.0349   4.6957   7.8863   79.057   21.277   47.456   20.221 31.60175 29.35334 
1 1 1    2   14   68 o   51.628   13.822   8.2516   5.0191   2.3017   8.1880   11.833   6.3525   43.315   19.447   59.941   19.649 -16.62563 27.64498 
1 1 1    2   15    0 o  112.172   7.7253   30.254   5.6026   30.254   5.6026   30.254   5.6026  112.172   10.925  112.172   10.925 -0.000000 0.000000 
1 1 1    2   15    1 o  1176.30   57.929  3470.62  314.014  3936.20  496.517  3160.27  405.382  1235.71   85.975  1116.89   77.663 118.8239 115.8588 
1 1 1    2   15    2 o  544.159   26.913  715.791   66.470  660.334  105.083  752.779   85.820  524.902   42.836  563.415   32.592 -38.51233 53.82565 
1 1 1    2   15    3 o  606.071   53.584  1148.07  106.492  587.851  212.878  1335.06  122.986  462.719  101.253  749.424   35.114 -286.7055 107.1690 
1 1 1    2   15    4 o  346.085   21.753  268.533   33.794  338.766   58.545  233.438   41.385  377.848   33.154  314.321   28.172 63.52783 43.50696 
1 1 1    2   15    5 o  732.649   51.982  1374.39  165.033  1272.83  285.825  1425.18  202.130  701.408   87.194  763.890   56.619 -62.48206 103.9638 
1 1 1    2   15    6 o  669.763   35.122  1084.87  109.936  1090.19  155.465  1079.54  155.480  671.466   49.541  668.060   49.798 3.406250 70.24390 
1 1 1    2   15    7 o  537.294   28.685  692.086   71.737  762.232  101.462  621.967  101.442  565.222   38.410  509.365   42.613 55.85696 57.36903 
1 1 1    2   15    8 o  573.932   43.669  790.797  117.133  790.797  117.133   0.0000   0.0000  573.932   43.669  ?   ?       ?      ? 
1 1 1    2   15    9 o   68.227   9.9045   11.301   3.0529   9.9628   4.2597   12.714   4.3776   63.931   14.580   72.523   13.410 -8.592072 19.80895 
1 1 1    2   15   10 o  116.414   12.572   33.490   6.0916   35.533   7.4196   29.264   10.670  123.166   12.890  109.662   21.588 13.50362 25.14378 
1 1 1    2   15   11 o  301.155   21.594  226.515   27.712  247.941   33.960  183.817   47.940  324.565   22.389  277.746   36.933 46.81830 43.18870 
1 1 1    2   15   12 o  527.862   26.235  594.599   60.608  381.706   74.158  1022.83  105.177  399.656   39.704  656.068   34.303 -256.4125 52.46954 
1 1 1    2   15   13 o  778.901   42.592  1493.39  154.953  1549.73  219.138  1437.06  219.135  794.377   59.027  763.424   61.419 30.95251 85.18491 
1 1 1    2   15   14 o  312.771   26.083  235.262   37.646  276.852   53.183  193.496   53.295  341.290   33.343  284.251   40.118 57.03903 52.16563 
1 1 1    2   15   15 o  224.436   15.799  112.717   15.926  140.660   27.527   98.658   19.525  244.128   24.127  204.744   20.405 39.38388 31.59865 
1 1 1    2   15   16 o  456.295   30.667  496.837   62.001  527.412  107.351  481.534   75.949  464.274   49.475  448.317   36.249 15.95715 61.33327 
1 1 1    2   15   17 o  316.977   25.147  237.820   37.253   0.0000   0.0000  237.820   37.253  ?   ?   316.977   25.147      ?      ? 
1 1 1    2   15   19 o  492.900   39.111  617.622   86.234  423.901  121.888  811.757  122.019  408.729   63.809  577.070   45.243 -168.3405 78.22132 
1 1 1    2   15   20 f  268.543   17.635  162.199   21.248  142.275   26.020  202.079   36.813  245.357   22.692  291.729   27.001 -46.37181 35.26954 
1 1 1    2   15   21 o  150.884   12.255   50.938   8.3383   44.277   10.279   63.754   14.258  137.244   16.026  164.523   18.543 -27.27875 24.50910 
1 1 1    2   15   22 o  130.314   16.075   41.711   9.3778   32.800   13.624   49.734   12.928  115.354   25.906  145.274   19.041 -29.91949 32.15058 
1 1 1    2   15   23 o  166.411   11.094   65.077   8.6264   64.206   12.070   65.986   12.334  165.278   15.626  167.545   15.751 -2.267334 22.18727 
1 1 1    2   15   24 o  130.619   16.805   48.443   8.6848   58.017   10.403   26.426   15.776  157.157   14.164  104.081   30.479 53.07647 33.60960 
1 1 1    2   15   25 o  196.378   11.838   90.947   10.801   78.714   15.093  103.789   15.464  182.736   17.673  210.021   15.755 -27.28467 23.67573 
1 1 1    2   15   26 o  341.559   19.494  278.510   31.088  291.780   43.912  265.177   44.018  349.900   26.853  333.217   28.266 16.68280 38.98781 
1 1 1    2   15   27 f  237.058   16.038  127.030   17.050  156.007   29.532  112.542   20.882  256.037   24.680  218.078   20.489 37.95912 32.07625 
1 1 1    2   15   28 o  181.196   14.896   77.355   11.827   76.062   14.363   80.079   20.845  179.389   17.132  183.002   24.373 -3.613449 29.79164 
1 1 1    2   15   29 o  403.927   32.169  399.555   60.727  399.555   60.727   0.0000   0.0000  403.927   32.169  ?   ?       ?      ? 
1 1 1    2   15   30 o  239.033   29.281  139.073   32.710  139.073   32.710   0.0000   0.0000  239.033   29.281  ?   ?       ?      ? 
1 1 1    2   15   32 o  154.119   16.020   56.246   11.539   0.0000   0.0000   56.246   11.539  ?   ?   154.119   16.020      ?      ? 
1 1 1    2   15   33 o  123.912   15.223   36.344   8.8158   0.0000   0.0000   36.344   8.8158  ?   ?   123.912   15.223      ?      ? 
1 1 1    2   15   34 o  111.188   16.555   29.645   8.6772   48.048   13.139   15.410   11.556  141.672   19.845   80.704   26.503 60.96847 33.10921 
1 1 1    2   15   35 o  308.327   17.242  232.017   24.765  211.634   35.066  252.299   34.979  294.200   25.504  322.453   23.211 -28.25293 34.48498 
1 1 1    2   15   36 o  196.686   13.924   88.893   12.241   79.622   14.947  107.776   21.331  182.421   17.532  210.951   21.636 -28.52986 27.84764 
1 1 1    2   15   37 o  226.665   17.461  124.244   17.396  130.767   30.506  121.100   21.177  229.293   28.468  224.037   20.226 5.256042 34.92123 
1 1 1    2   15   38 o  213.073   17.361  112.623   16.174  114.830   19.830  108.236   27.957  218.171   19.449  207.974   28.763 10.19653 34.72138 
1 1 1    2   15   39 o  308.419   24.630  252.932   32.664  265.697   40.032  227.506   56.500  327.075   26.189  289.764   41.721 37.31058 49.25991 
1 1 1    2   15   40 o  222.601   17.832  124.914   17.233  128.482   21.068  117.699   29.958  230.114   19.590  215.087   29.803 15.02681 35.66492 
1 1 1    2   15   41 o  137.665   17.760   56.817   9.8795   28.434   17.223   70.736   12.061  103.526   32.187  171.805   15.022 -68.27843 35.51991 
1 1 1    2   15   42 o   73.669   15.282   13.487   5.4216   14.330   9.2094   13.040   6.7071   75.531   23.546   71.807   19.488 3.723671 30.56429 
1 1 1    2   15   43 o   58.673   15.593   6.3853   5.9006   9.2350   8.3841   3.5884   8.3060   64.054   22.551   53.291   21.541 10.76308 31.18660 
1 1 1    2   15   44 o  139.594   14.008   45.919   8.6815   42.172   10.556   53.750   15.261  131.959   17.117  147.230   22.179 -15.27037 28.01558 
1 1 1    2   15   45 o  168.469   17.574   69.240   13.837   69.240   13.837   0.0000   0.0000  168.469   17.574  ?   ?       ?      ? 
1 1 1    2   15   46 o   88.396   14.233   16.501   5.9573   8.3828   7.2387   33.540   10.487   60.234   20.970  116.558   19.251 -56.32364 28.46634 
1 1 1    2   15   47 o  117.899   11.886   33.829   6.5461   32.449   9.1854   35.253   9.3315  115.393   17.032  120.405   16.583 -5.012199 23.77190 
1 1 1    2   15   48 o   98.621   13.343   24.788   5.9501   31.168   8.3427   18.182   8.4887  113.427   15.738   83.814   21.551 29.61263 26.68553 
1 1 1    2   15   49 o  150.743   16.794   61.088   10.385   66.563   12.688   49.976   18.075  165.547   16.400  135.939   29.313 29.60806 33.58891 
1 1 1    2   15   50 o  114.515   17.355   34.536   9.2952   22.684   12.788   47.813   13.535   91.300   27.616  137.730   21.028 -46.42939 34.71021 
1 1 1    2   15   51 o  238.844   22.407  144.796   25.011   0.0000   0.0000  144.796   25.011  ?   ?   238.844   22.407      ?      ? 
1 1 1    2   15   52 o   64.785   24.732   8.8084   10.418   0.0000   0.0000   8.8084   10.418  ?   ?    64.785   24.732      ?      ? 
1 1 1    2   15   53 o  152.326   12.446   57.583   8.8494   54.229   12.193   61.316   12.864  147.611   17.675  157.041   17.527 -9.429794 24.89160 
1 1 1    2   15   54 o  123.239   12.579   37.832   7.2300   35.571   9.8486   40.474   10.648  119.320   17.661  127.158   17.917 -7.838348 25.15826 
1 1 1    2   15   55 f  104.975   13.972   32.446   7.0700   54.309   9.6383   6.9802   10.402  149.088   13.833   60.863   24.279 88.22543 27.94317 
1 1 1    2   15   56 o   71.882   15.312   14.960   5.7697   18.041   6.6755   5.8582   11.472   83.251   17.702   60.514   24.989 22.73642 30.62383 
1 1 1    2   15   57 o  120.984   12.088   35.932   6.7310   31.340   8.6485   42.986   10.720  111.717   16.564  130.250   17.610 -18.53324 24.17629 
1 1 1    2   15   58 o   75.163   19.510   15.300   6.9132   15.300   6.9132   0.0000   0.0000   75.163   19.510  ?   ?       ?      ? 
1 1 1    2   15   59 o   73.293   16.877   15.418   6.6514   16.947   8.3791   12.813   10.937   77.626   22.058   68.959   25.549 8.667053 33.75409 
1 1 1    2   15   60 o   56.932   15.677  -0.4290   6.0754  -7.4321   7.0761   19.211   11.850   33.966   16.177   79.898   26.857 -45.93250 31.35315 
1 1 1    2   15   61 o   52.245   13.163   5.5209   5.3870   12.658   6.2052 -16.3163   10.854   67.209   18.942   37.281   18.282 29.92828 26.32550 
1 1 1    2   15   62 o   57.538   13.051   8.5121   4.9058   15.190   6.2535  -2.1737   7.9106   74.010   18.205   41.066   18.706 32.94432 26.10264 
1 1 1    2   15   63 o   41.786   13.347  -0.4483   5.2999   1.5637   6.1940  -5.9480   10.241   41.383   17.784   42.189   19.906 -0.8059883 26.69306 
1 1 1    2   15   64 o   36.552   11.658  -0.9791   4.2594   0.8893   5.5169  -3.7365   6.7021   37.982   16.551   35.121   16.423 2.860954 23.31646 
1 1 1    2   15   65 o   53.562   12.091   7.1898   4.5387   15.226   5.8904  -4.5532   7.1206   72.090   17.630   35.033   16.551 37.05729 24.18135 
1 1 1    2   15   66 o   52.810   14.857   6.8646   6.2415   13.360   8.0934  -2.6670   9.8043   63.379   22.167   42.241   19.787 21.13767 29.71384 
1 1 1    2   15   67 o   65.799   13.507   11.760   5.6663   27.585   8.5069  -0.8596   7.5968   92.729   20.201   38.868   17.936 53.86100 27.01437 
1 1 1    2   16    0 o  578.652   31.772  807.596  119.827  807.596  119.827  807.596  119.827  578.652   44.932  578.652   44.932 -0.000000 0.000000 
1 1 1    2   16    1 f  904.956  110.636  2252.06  467.914  2252.06  467.914   0.0000   0.0000  904.956  110.636  ?   ?       ?      ? 
1 1 1    2   16    2 o  406.285   44.991  396.995   85.427   0.0000   0.0000  396.995   85.427  ?   ?   406.285   44.991      ?      ? 
1 1 1    2   16    3 o  504.087   38.499  625.562   89.005  492.284  125.801  759.142  125.943  447.462   60.157  560.713   48.061 -113.2510 76.99802 
1 1 1    2   16    4 o  401.700   44.495  387.809   83.533   0.0000   0.0000  387.809   83.533  ?   ?   401.700   44.495      ?      ? 
1 1 1    2   16    5 o  677.844   51.068  1114.01  161.779   0.0000   0.0000  1114.01  161.779  ?   ?   677.844   51.068      ?      ? 
1 1 1    2   16    6 o  202.889   15.405   97.391   13.724   95.255   23.781   98.457   16.804  200.970   25.320  204.809   17.556 -3.839264 30.81094 
1 1 1    2   16    7 f  706.076   43.489  1201.36  136.478  1322.74  236.385  1140.67  167.151  727.027   69.571  685.125   52.203 41.90204 86.97833 
1 1 1    2   16    8 o  259.229   18.678  160.108   21.242  154.404   36.713  162.978   26.045  255.247   30.777  263.211   21.172 -7.963943 37.35604 
1 1 1    2   16    9 o  507.535   31.044  582.778   70.775  762.215  122.611  493.114   86.673  561.601   46.715  453.468   40.897 108.1325 62.08793 
1 1 1    2   16   10 o  152.880   12.445   54.261   8.4644   56.978   14.532   52.866   10.413  155.627   19.980  150.132   14.841 5.495132 24.88924 
1 1 1    2   16   11 o  386.139   30.158  360.591   54.274  330.401   76.692  390.880   76.819  369.394   44.424  402.885   40.799 -33.49191 60.31604 
1 1 1    2   16   12 o  423.114   34.706  444.419   66.869  554.411   94.576  334.465   94.559  478.727   42.272  367.502   55.056 111.2253 69.41190 
1 1 1    2   16   13 o  205.527   18.040  101.980   16.767   72.581   23.642  131.726   23.781  174.747   28.949  236.307   21.534 -61.56061 36.07994 
1 1 1    2   16   14 o  182.129   16.403   78.732   13.846   90.768   19.652   66.870   19.510  196.160   21.437  168.098   24.834 28.06239 32.80669 
1 1 1    2   16   15 o  235.694   19.830  132.252   21.758  145.609   30.789  118.927   30.751  247.803   26.586  223.584   29.429 24.21875 39.65945 
1 1 1    2   16   16 o  529.057   60.205  704.830  148.860   0.0000   0.0000  704.830  148.860  ?   ?   529.057   60.205      ?      ? 
1 1 1    2   16   17 o  188.223   18.154   86.566   15.088  110.102   21.370   63.173   21.305  215.981   21.172  160.465   29.496 55.51604 36.30800 
1 1 1    2   16   18 o   71.269   12.511   12.657   4.0171   13.455   4.9361   11.092   6.9128   74.410   14.716   68.128   20.237 6.281700 25.02143 
1 1 1    2   16   19 o  690.188   48.269  1217.70  147.023  1183.57  180.069  1285.96  254.643  686.881   56.094  693.494   78.568 -6.612915 96.53725 
1 1 1    2   16   20 o  800.853   44.207  1638.87  165.297  1562.13  233.745  1715.64  233.786  780.352   64.093  821.354   60.904 -41.00195 88.41469 
1 1 1    2   16   21 o  581.951   29.994  831.659   80.830  707.474  114.256  956.084  114.367  536.259   45.589  627.643   38.989 -91.38379 59.98775 
1 1 1    2   16   22 o  134.432   15.082   42.749   9.4726   44.318   13.507   41.231   13.288  136.875   21.115  131.989   21.542 4.886322 30.16459 
1 1 1    2   16   23 o  304.271   22.483  234.135   29.132  191.109   50.388  255.738   35.705  280.210   38.477  328.332   23.268 -48.12192 44.96540 
1 1 1    2   16   24 o  260.288   17.489  157.715   20.211  171.584   35.090  150.830   24.724  268.057   28.010  252.519   20.950 15.53822 34.97763 
1 1 1    2   16   25 o  143.864   11.138   48.925   7.4186   40.831   10.385   57.359   10.601  131.584   16.888  156.143   14.527 -24.55946 22.27624 
1 1 1    2   16   26 o  504.592   40.369  635.085   95.200  635.085   95.200   0.0000   0.0000  504.592   40.369  ?   ?       ?      ? 
1 1 1    2   16   27 o  144.907   22.311   50.210   15.109   50.210   15.109   0.0000   0.0000  144.907   22.311  ?   ?       ?      ? 
1 1 1    2   16   28 o  120.409   22.672   35.784   12.290   35.784   12.290   0.0000   0.0000  120.409   22.672  ?   ?       ?      ? 
1 1 1    2   16   30 o  157.318   16.505   58.651   12.135   0.0000   0.0000   58.651   12.135  ?   ?   157.318   16.505      ?      ? 
1 1 1    2   16   31 o  448.771   56.168  552.839  117.803   0.0000   0.0000  552.839  117.803  ?   ?   448.771   56.168      ?      ? 
1 1 1    2   16   32 f   40.014   11.769   0.7216   3.6681  -0.6697   5.0976   2.2157   5.2823   36.890   15.993   43.138   17.269 -6.247753 23.53752 
1 1 1    2   16   33 o  194.201   12.806   91.181   11.386   70.328   16.058  112.263   16.146  171.110   20.080  217.292   15.900 -46.18158 25.61275 
1 1 1    2   16   34 o  130.673   12.717   39.470   7.5038   46.415   12.699   35.743   9.3015  138.906   19.561  122.439   16.255 16.46725 25.43343 
1 1 1    2   16   35 o  296.194   25.521  228.197   34.431  173.892   48.513  283.315   48.874  256.777   40.426  335.611   31.160 -78.83362 51.04122 
1 1 1    2   16   36 o  176.757   15.110   76.544   11.614   78.014   14.156   73.517   20.313  180.620   16.770  172.894   25.140 7.726563 30.22006 
1 1 1    2   16   37 f   54.304   13.223   6.2637   4.2031   3.4178   5.9886   9.0263   5.9004   47.515   18.586   61.092   18.814 -13.57650 26.44676 
1 1 1    2   16   38 f  260.898   15.542  166.708   18.872  184.174   26.776  149.466   26.604  275.092   20.827  246.704   23.074 28.38786 31.08324 
1 1 1    2   16   39 o   49.768   14.147   3.2541   4.8165   3.5195   5.8750   2.7101   8.4112   47.300   18.435   52.236   21.464 -4.935970 28.29425 
1 1 1    2   16   40 o  190.452   19.285   92.406   17.136   89.253   24.635   95.361   23.850  186.748   28.227  194.157   26.284 -7.408279 38.56974 
1 1 1    2   16   41 o  106.042   17.888   29.114   8.7943   35.565   12.883   23.486   12.034  117.357   24.290   94.727   26.267 22.62965 35.77658 
1 1 1    2   16   42 o  111.124   16.741   30.458   9.1588   54.465   13.763   11.376   12.270  149.307   19.723   72.941   27.055 76.36553 33.48136 
1 1 1    2   16   43 f   70.968   15.952   11.860   5.5543   10.826   6.6006   14.369   10.280   65.885   19.821   76.052   24.999 -10.16715 31.90327 
1 1 1    2   16   44 o   76.460   13.837   15.006   4.9586   15.574   6.7221   14.329   7.3440   78.165   18.660   74.754   20.436 3.411263 27.67326 
1 1 1    2   16   45 o  215.436   13.941  114.889   14.016  108.194   19.834  121.568   19.810  208.787   20.327  222.086   19.086 -13.29903 27.88276 
1 1 1    2   16   46 o   70.229   16.832   11.065   7.1510   3.1102   10.345   18.344   9.8956   56.623   23.584   83.835   24.022 -27.21220 33.66425 
1 1 1    2   16   47 o   53.018   13.608   5.2972   4.5608   1.6317   6.3630   9.1702   6.5407   44.628   18.535   61.407   19.928 -16.77918 27.21517 
1 1 1    2   16   48 o   66.609   15.442   8.2519   5.5830   3.3515   6.7761   18.610   9.8517   48.861   19.560   84.356   23.900 -35.49476 30.88349 
1 1 1    2   16   49 o  162.873   15.574   67.209   11.090   66.815   13.528   68.017   19.365  164.533   17.594  161.213   25.702 3.320374 31.14717 
1 1 1    2   16   50 o  120.915   17.616   38.922   9.9483   21.208   13.729   58.502   14.435   88.841   28.875  152.990   20.189 -64.14812 35.23259 
1 1 1    2   16   51 o  101.203   15.889   25.726   7.1170   33.230   11.935   21.585   8.8657  111.774   23.589   90.632   21.292 21.14205 31.77756 
1 1 1    2   16   52 o   79.601   14.837   16.832   5.6007   17.915   7.5707   15.523   8.3238   82.692   19.843   76.510   22.063 6.181816 29.67390 
1 1 1    2   16   53 o  156.215   13.150   61.787   9.4144   48.206   13.166   75.997   13.468  137.314   20.515  175.116   16.456 -37.80222 26.29973 
1 1 1    2   16   54 o   53.960   14.647   5.7099   5.2537   7.7032   7.3237   3.5969   7.5406   57.739   20.986   50.181   20.437 7.557892 29.29333 
1 1 1    2   16   55 o   88.112   15.032   20.908   6.1511   17.667   8.5613   24.367   8.8434   80.565   22.081   95.660   20.403 -15.09436 30.06465 
1 1 1    2   16   56 o  134.404   16.703   47.947   9.7978   45.144   12.116   53.243   16.655  132.222   19.607  136.586   27.048 -4.364014 33.40694 
1 1 1    2   16   57 o  111.257   12.319   30.315   6.1045   23.786   7.6899   41.439   10.038   94.969   17.984  127.546   16.840 -32.57773 24.63777 
1 1 1    2   16   58 o   54.382   14.851   6.1061   5.7688   10.087   6.8828  -3.2941   10.577   61.649   20.464   47.114   21.526 14.53567 29.70131 
1 1 1    2   16   59 o   58.492   16.228   7.3293   6.0400   6.3499   7.2087   9.6368   11.065   53.454   20.533   63.530   25.136 -10.07613 32.45623 
1 1 1    2   16   60 o   64.889   19.670   11.873   6.4823   11.873   6.4823   0.0000   0.0000   64.889   19.670  ?   ?       ?      ? 
1 1 1    2   16   61 f   70.709   18.530   13.958   6.1977   13.958   6.1977   0.0000   0.0000   70.709   18.530  ?   ?       ?      ? 
1 1 1    2   16   62 o   91.851   17.173   23.038   7.3330   41.310   13.186   14.856   8.8233  114.296   25.349   69.405   23.176 44.89147 34.34642 
1 1 1    2   16   63 o   65.070   14.653   12.903   4.9614   12.269   6.4503   13.821   7.7637   63.869   19.672   66.272   21.722 -2.402828 29.30559 
1 1 1    2   16   64 o   58.154   15.551   9.5768   5.2720   7.9507   6.1559   14.052   10.212   52.520   19.217   63.788   24.454 -11.26833 31.10123 
1 1 1    2   16   65 o   62.740   15.534   12.908   5.4289   13.175   6.3338   12.168   10.540   65.263   19.367   60.217   24.292 5.045307 31.06774 
1 1 1    2   16   66 o   58.575   16.351   12.358   6.6521   13.397   8.5387   10.755   10.610   61.113   22.589   56.037   23.647 5.075874 32.70197 
1 1 1    2   17    2 o  188.986   23.819   84.365   21.038   84.365   21.038   0.0000   0.0000  188.986   23.819  ?   ?       ?      ? 
1 1 1    2   17    3 o  611.744   42.979  945.767  114.691  909.773  198.636  963.768  140.472  595.116   71.419  628.371   47.833 -33.25543 85.95765 
1 1 1    2   17    4 o  165.831   22.097   64.881   17.126   0.0000   0.0000   64.881   17.126  ?   ?   165.831   22.097      ?      ? 
1 1 1    2   17    5 o  352.139   27.695  294.221   45.578   0.0000   0.0000  294.221   45.578  ?   ?   352.139   27.695      ?      ? 
1 1 1    2   17    6 o  521.079   37.540  731.933   80.347  515.489  139.063  840.395   98.441  450.048   66.116  592.109   35.574 -142.0615 75.07910 
1 1 1    2   17    7 o  385.992   26.950  367.630   45.096  332.469   78.040  385.256   55.255  369.506   45.191  402.479   29.375 -32.97238 53.89968 
1 1 1    2   17    8 o  412.500   28.623  417.068   51.490  393.135   89.162  429.044   63.070  400.913   47.587  424.087   31.822 -23.17368 57.24617 
1 1 1    2   17    9 o  425.305   33.250  443.411   65.709  390.599   92.860  496.376   92.995  398.711   49.834  451.900   44.032 -53.18869 66.50038 
1 1 1    2   17   10 o  645.583   42.887  1032.23  122.536  997.153  150.078  1102.39  212.231  636.502   50.451  654.664   69.366 -18.16150 85.77313 
1 1 1    2   17   11 o  272.297   31.447  176.905   40.019  176.905   40.019   0.0000   0.0000  272.297   31.447  ?   ?       ?      ? 
1 1 1    2   17   12 o  816.867   62.042  1690.86  236.855  1690.86  236.855   0.0000   0.0000  816.867   62.042  ?   ?       ?      ? 
1 1 1    2   17   13 f  273.870   20.657  186.579   24.254  201.338   29.721  157.156   41.964  291.963   21.782  255.776   35.105 36.18683 41.31380 
1 1 1    2   17   14 o  623.470   36.238  927.168  100.999  844.911  123.689  1091.76  174.962  587.637   45.038  659.303   56.783 -71.66608 72.47565 
1 1 1    2   17   15 o  454.599   26.981  471.881   55.051  601.096   95.449  407.474   67.388  497.476   41.054  411.722   35.022 85.75397 53.96264 
1 1 1    2   17   16 o  402.116   21.838  386.379   41.032  395.359   58.011  377.389   58.043  406.900   30.506  397.332   31.258 9.567169 43.67658 
1 1 1    2   17   17 o   90.873   11.918   19.755   4.7006   19.664   5.7973   19.930   8.0312   91.530   13.553   90.216   19.608 1.313591 23.83589 
1 1 1    2   17   18 o  131.244   10.175   40.627   6.2143   44.278   8.7024   36.828   8.8769  137.325   13.560  125.164   15.175 12.16103 20.35081 
1 1 1    2   17   19 o  372.618   20.406  333.513   35.250  285.553   49.799  381.670   49.902  345.030   30.883  400.207   26.680 -55.17715 40.81200 
1 1 1    2   17   20 o  312.210   16.972  231.614   24.731  217.292   34.896  246.067   35.054  302.361   24.695  322.059   23.289 -19.69809 33.94442 
1 1 1    2   17   21 o  182.245   15.126   82.003   11.863   88.509   14.572   69.219   20.427  193.926   16.079  170.564   25.625 23.36244 30.25178 
1 1 1    2   17   22 o  127.652   10.652   38.591   6.3089   43.078   8.8159   33.882   9.0322  135.370   13.935  119.935   16.114 15.43563 21.30364 
1 1 1    2   17   23 o  213.330   21.055  112.949   19.947  139.063   28.061   86.273   28.361  241.114   24.902  185.546   33.958 55.56775 42.10971 
1 1 1    2   17   24 o  154.320   15.756   56.275   11.363   56.275   11.363   0.0000   0.0000  154.320   15.756  ?   ?       ?      ? 
1 1 1    2   17   25 o  602.313   49.554  947.218  139.490  947.218  139.490   0.0000   0.0000  602.313   49.554  ?   ?       ?      ? 
1 1 1    2   17   28 o  135.202   15.505   43.255   9.7969   0.0000   0.0000   43.255   9.7969  ?   ?   135.202   15.505      ?      ? 
1 1 1    2   17   29 o  446.364   36.315  500.006   75.756   0.0000   0.0000  500.006   75.756  ?   ?   446.364   36.315      ?      ? 
1 1 1    2   17   30 o  191.205   12.531   87.070   11.197   86.526   15.698   87.633   15.974  190.618   17.622  191.792   17.822 -1.174500 25.06282 
1 1 1    2   17   31 o  332.456   19.249  271.590   29.902  276.723   42.260  266.443   42.317  335.775   26.930  329.136   27.510 6.639282 38.49705 
1 1 1    2   17   32 o  178.918   12.239   76.668   10.212   81.426   14.334   71.765   14.551  184.726   16.604  173.110   17.986 11.61525 24.47837 
1 1 1    2   17   33 o  201.243   13.002   97.450   12.180  106.183   17.115   88.490   17.336  210.682   17.382  191.803   19.340 18.87926 26.00321 
1 1 1    2   17   34 o   94.208   11.924   21.700   5.0662   16.644   7.0493   27.101   7.2861   81.652   18.854  106.764   14.603 -25.11137 23.84760 
1 1 1    2   17   35 o  305.764   17.857  231.831   25.298  264.830   35.770  198.804   35.785  328.870   23.273  282.658   27.089 46.21225 35.71346 
1 1 1    2   17   36 o  107.180   14.214   28.607   6.5417   27.539   11.316   29.143   8.0171  103.925   23.810  110.434   15.534 -6.509254 28.42860 
1 1 1    2   17   37 o   62.526   12.886   9.6594   4.0096   10.562   5.5819   8.6967   5.7632   65.115   17.823   59.937   18.617 5.178120 25.77269 
1 1 1    2   17   38 o  182.269   14.430   76.659   11.842   99.915   20.376   64.797   14.552  201.409   21.647  163.130   19.088 38.27925 28.86052 
1 1 1    2   17   39 o   97.629   14.989   25.850   6.4284   18.176   11.163   29.657   7.8630   84.174   25.871  111.084   15.146 -26.90938 29.97857 
1 1 1    2   17   40 o  273.362   35.857  200.933   45.809  200.933   45.809   0.0000   0.0000  273.362   35.857  ?   ?       ?      ? 
1 1 1    2   17   41 o   91.657   15.649   22.354   6.4395   24.445   7.9010   18.217   11.114   99.046   17.719   84.269   25.799 14.77705 31.29836 
1 1 1    2   17   42 o  187.517   18.723   86.207   16.408   86.207   16.408   0.0000   0.0000  187.517   18.723  ?   ?       ?      ? 
1 1 1    2   17   43 o   98.444   15.336   26.670   6.6939   30.748   8.2058   18.558   11.573  112.643   15.587   84.246   26.417 28.39671 30.67263 
1 1 1    2   17   44 o  145.932   13.463   53.794   8.6201   69.720   12.265   38.248   12.118  169.754   15.460  122.111   22.045 47.64230 26.92542 
1 1 1    2   17   45 o  140.098   25.714   51.505   16.216   0.0000   0.0000   51.505   16.216  ?   ?   140.098   25.714      ?      ? 
1 1 1    2   17   46 o  119.834   12.922   35.828   6.9880   41.186   9.8333   30.362   9.9324  130.321   16.145  109.346   20.180 20.97546 25.84344 
1 1 1    2   17   47 o  166.130   17.375   74.620   11.921   81.191   14.675   61.871   20.441  182.059   17.247  150.201   30.167 31.85721 34.74924 
1 1 1    2   17   48 o  144.461   18.946   55.830   12.486   52.971   18.073   58.441   17.272  138.759   28.811  150.163   24.611 -11.40353 37.89148 
1 1 1    2   17   49 o   70.579   16.746   11.638   7.0829   18.769   9.7549   3.6860   10.301   84.222   23.754   56.936   23.609 27.28535 33.49102 
1 1 1    2   17   50 o  154.626   20.354   66.953   14.139   79.686   19.458   52.709   20.580  175.112   23.776  134.140   33.044 40.97232 40.70837 
1 1 1    2   17   51 o   49.156   13.824   2.7365   4.9785  -1.3844   6.7972   7.5056   7.3123   40.681   18.024   57.631   20.966 -16.95019 27.64890 
1 1 1    2   17   52 o  103.499   14.026   28.133   6.5702   34.703   9.1930   21.274   9.3934  118.210   16.640   88.789   22.584 29.42067 28.05256 
1 1 1    2   17   53 o   65.177   15.390   10.449   5.7034   15.021   8.2378   6.2390   7.9041   74.755   22.063   55.599   21.462 19.15574 30.77959 
1 1 1    2   17   54 o  216.656   15.242  123.727   15.166   99.831   21.397  147.854   21.500  193.002   23.722  240.309   19.144 -47.30702 30.48336 
1 1 1    2   17   55 o   47.450   13.239   0.2976   5.2004  -9.8052   7.5312   9.5051   7.1898   33.740   16.234   61.161   20.918 -27.42053 26.47832 
1 1 1    2   17   56 o   44.748   13.370   1.1445   4.9917   4.7258   6.9059  -2.7737   7.2234   50.092   19.845   39.403   17.920 10.68825 26.73900 
1 1 1    2   17   57 o   64.350   17.453   10.217   7.3966   11.807   10.175   8.4350   10.771   66.866   24.670   61.834   24.693 5.032188 34.90502 
1 1 1    2   17   58 o  110.081   30.281   39.169   16.066   0.0000   0.0000   39.169   16.066  ?   ?   110.081   30.281      ?      ? 
1 1 1    2   17   59 o   86.658   16.995   21.806   6.3083   20.874   7.1181   25.218   13.618   87.187   18.063   86.130   28.792 1.057365 33.98908 
1 1 1    2   17   60 o   57.406   19.547   8.9482   6.2781   8.9482   6.2781   0.0000   0.0000   57.406   19.547  ?   ?       ?      ? 
1 1 1    2   17   61 f   29.469   10.071  -7.8969   4.2439  -5.0962   5.4682 -12.1396   6.7301   30.314   14.375   28.624   14.107 1.690226 20.14106 
1 1 1    2   17   62 o   48.575   14.511   4.3954   5.1501   3.7675   6.0221   6.1047   9.9363   44.170   18.158   52.979   22.639 -8.808636 29.02110 
1 1 1    2   17   63 o   53.016   13.346   5.6386   4.6261  -0.6048   5.9115   15.503   7.4306   36.389   16.414   69.642   21.048 -33.25226 26.69130 
1 1 1    2   17   64 o   54.291   15.268   8.2120   5.2975   7.6269   6.1186   9.9639   10.587   51.508   19.105   57.073   23.822 -5.565067 30.53686 
1 1 1    2   17   65 o   57.575   16.162   11.685   6.5247   12.673   8.3431   10.130   10.469   59.918   22.292   55.232   23.408 4.686020 32.32459 
1 1 1    2   18    0 o  126.624   16.695   41.331   12.547   41.331   12.547   41.331   12.547  126.624   23.610  126.624   23.610 -0.000000 0.000000 
1 1 1    2   18    1 o  733.976   50.425  1441.42  144.352  1296.56  288.694  1489.71  166.685  687.003   89.916  780.949   45.670 -93.94659 100.8496 
1 1 1    2   18    2 o  579.530   34.938  799.276   82.824  885.202  165.694  770.656   95.628  592.788   59.809  566.273   36.134 26.51508 69.87659 
1 1 1    2   18    3 o  226.657   14.171  113.827   13.305  137.077   26.739  106.177   15.339  240.709   23.769  212.605   15.437 28.10443 28.34197 
1 1 1    2   18    4 o  537.602   30.452  684.715   66.815  742.255  133.671  665.551   77.143  547.226   52.267  527.979   31.263 19.24725 60.90353 
1 1 1    2   18    5 o  411.717   25.529  402.938   42.639  417.544   85.295  398.071   49.233  413.738   44.112  409.697   25.713 4.041473 51.05862 
1 1 1    2   18    6 o  398.860   21.536  341.950   36.124  469.823   72.353  299.488   41.693  442.262   35.005  355.458   25.097 86.80362 43.07254 
1 1 1    2   18    7 o  236.639   12.576  130.590   13.686  138.463   21.617  125.323   17.681  242.408   19.081  230.871   16.387 11.53723 25.15150 
1 1 1    2   18    8 o  504.571   25.972  636.428   58.388  519.028   92.282  714.802   75.399  461.566   42.780  547.576   29.463 -86.00949 51.94403 
1 1 1    2   18    9 o  338.316   18.599  271.792   29.405  268.314   41.558  275.279   41.613  336.117   26.456  340.516   26.149 -4.398163 37.19758 
1 1 1    2   18   10 o  633.127   30.646  965.075   89.295  1050.22  141.192  908.318  115.276  654.297   46.174  611.957   40.307 42.34039 61.29120 
1 1 1    2   18   11 o  399.132   23.006  351.748   41.166  274.945   50.399  505.704   71.356  339.001   31.811  459.263   33.245 -120.2613 46.01296 
1 1 1    2   18   12 o  499.606   27.398  605.381   63.776  552.623   90.172  658.189   90.214  477.004   40.449  522.208   36.965 -45.20383 54.79515 
1 1 1    2   18   13 o  341.655   19.028  279.962   29.982  331.537   42.427  228.512   42.375  373.913   24.279  309.397   29.306 64.51529 38.05645 
1 1 1    2   18   14 o  118.437   9.6837   33.055   5.3292   28.921   7.5219   37.223   7.5514  110.939   14.508  125.935   12.830 -14.99599 19.36746 
1 1 1    2   18   15 o  329.387   24.357  276.533   34.050  303.564   41.725  222.648   58.912  357.340   24.985  301.434   41.818 55.90610 48.71351 
1 1 1    2   18   16 o  119.767   9.7314   33.749   5.4304   30.604   7.6530   36.938   7.7068  114.110   14.350  125.423   13.148 -11.31207 19.46276 
1 1 1    2   18   17 o   78.588   10.526   14.781   3.7398   9.7840   5.0873   20.657   5.5165   63.357   16.878   93.818   12.582 -30.46078 21.05137 
1 1 1    2   18   18 o  184.701   11.839   82.073   9.8294   56.055   13.790  108.949   14.015  154.074   19.150  215.329   13.927 -61.25414 23.67885 
1 1 1    2   18   19 o  184.584   14.637   80.221   11.852   79.271   14.424   82.196   20.799  183.341   16.833  185.827   23.949 -2.485870 29.27321 
1 1 1    2   18   20 o  262.530   17.600  162.547   20.418  157.557   24.929  172.716   35.588  257.473   20.717  267.587   28.458 -10.11404 35.20012 
1 1 1    2   18   21 o  175.788   18.612   85.791   12.731  102.090   15.549   52.647   22.173  207.810   16.010  143.766   33.604 64.04451 37.22349 
1 1 1    2   18   22 o  247.465   29.865  149.180   34.539  149.180   34.539   0.0000   0.0000  247.465   29.865  ?   ?       ?      ? 
1 1 1    2   18   23 o  354.079   41.856  318.087   69.263  318.087   69.263   0.0000   0.0000  354.079   41.856  ?   ?       ?      ? 
1 1 1    2   18   25 o  375.516   30.319  345.114   53.208   0.0000   0.0000  345.114   53.208  ?   ?   375.516   30.319      ?      ? 
1 1 1    2   18   26 o  240.161   29.527  141.133   33.141   0.0000   0.0000  141.133   33.141  ?   ?   240.161   29.527      ?      ? 
1 1 1    2   18   27 f  187.274   18.103   83.514   15.844   0.0000   0.0000   83.514   15.844  ?   ?   187.274   18.103      ?      ? 
1 1 1    2   18   28 o  151.901   13.737   53.909   9.3570   59.883   15.956   50.777   11.552  157.729   21.645  146.074   16.921 11.65485 27.47458 
1 1 1    2   18   29 o  375.276   21.229  351.645   36.954  304.595   52.197  398.929   52.326  348.412   32.056  402.140   27.842 -53.72745 42.45869 
1 1 1    2   18   30 o  113.168   12.675   32.963   6.1345   44.847   8.4604   19.790   8.9078  137.615   13.155   88.720   21.670 48.89520 25.35013 
1 1 1    2   18   31 o  275.380   16.520  186.502   20.913  223.755   29.588  149.310   29.563  304.298   20.805  246.463   25.666 57.83496 33.03943 
1 1 1    2   18   32 o  131.695   11.043   41.315   6.7936   39.726   9.4846   42.989   9.7356  129.078   15.723  134.311   15.510 -5.232620 22.08519 
1 1 1    2   18   33 o  215.391   13.478  112.659   13.373   90.866   18.805  134.956   19.021  193.530   20.792  237.252   17.155 -43.72223 26.95506 
1 1 1    2   18   34 o  117.874   13.873   32.876   7.0505   30.465   8.5524   37.991   12.456  112.801   16.223  122.947   22.508 -10.14552 27.74543 
1 1 1    2   18   35 o  376.226   21.452  363.923   37.184  298.942   52.513  429.262   52.658  339.215   33.125  413.238   27.266 -74.02307 42.90319 
1 1 1    2   18   36 o   39.070   11.557   0.4184   3.6461   2.7090   5.0085  -2.1643   5.3182   43.071   16.952   35.069   15.713 8.001995 23.11472 
1 1 1    2   18   37 o  192.160   18.135  101.125   14.003   74.936   24.101  114.471   17.205  166.816   32.079  217.504   16.926 -50.68747 36.27091 
1 1 1    2   18   38 o   77.843   23.128   15.362   9.0286   15.362   9.0286   0.0000   0.0000   77.843   23.128  ?   ?       ?      ? 
1 1 1    2   18   39 o  153.740   18.895   62.761   12.771   41.094   18.285   83.401   17.846  123.216   31.601  184.263   20.723 -61.04728 37.78986 
1 1 1    2   18   40 o   91.262   14.351   19.515   5.6637   16.044   6.8197   27.233   10.168   79.516   18.670  103.009   21.801 -23.49352 28.70277 
1 1 1    2   18   41 o  165.508   16.836   66.734   13.023   66.734   13.023   0.0000   0.0000  165.508   16.836  ?   ?       ?      ? 
1 1 1    2   18   42 o   80.058   14.765   17.267   5.7431   11.032   9.1157   21.372   7.3954   68.033   23.541   92.082   17.829 -24.04870 29.53015 
1 1 1    2   18   43 o   76.986   17.413   14.970   7.1433   17.796   10.193   12.244   10.013   82.662   24.578   71.310   24.672 11.35235 34.82555 
1 1 1    2   18   44 o   50.643   13.535   4.5496   4.5209   7.1472   6.2321   1.6644   6.5682   56.019   19.460   45.267   18.818 10.75200 27.07017 
1 1 1    2   18   45 o  263.252   15.789  174.844   19.192  145.427   27.087  204.499   27.196  239.283   24.222  287.221   20.260 -47.93788 31.57804 
1 1 1    2   18   46 o   72.672   16.412   13.769   6.2595   15.355   7.7345   10.759   10.656   76.774   20.966   68.571   25.255 8.202576 32.82311 
1 1 1    2   18   47 o   73.912   16.530   14.418   6.4387   16.734   7.8669   9.7182   11.206   80.205   20.809   67.618   25.689 12.58674 33.05981 
1 1 1    2   18   48 o  152.882   18.592   61.103   12.580   39.811   16.750   88.657   19.054  118.927   30.108  186.837   21.822 -67.91037 37.18452 
1 1 1    2   18   49 o  187.967   16.841   92.382   14.018   91.038   23.646   93.111   17.406  183.584   27.560  192.350   19.363 -8.765930 33.68215 
1 1 1    2   18   50 o   58.079   16.816   5.2118   6.9211   5.8364   8.3310   3.8204   12.434   55.930   21.910   60.228   25.517 -4.297920 33.63234 
1 1 1    2   18   51 o   77.575   17.664   16.913   7.5737   20.707   9.1448   8.6278   13.514   87.616   22.282   67.533   27.414 20.08287 35.32761 
1 1 1    2   18   52 o   54.502   14.836   5.1088   5.6060   9.9265   7.9800   0.4145   7.8771   63.076   22.014   45.928   19.896 17.14764 29.67264 
1 1 1    2   18   53 f  146.771   13.420   55.208   9.1779   50.618   12.963   59.821   12.996  140.080   19.802  153.462   18.120 -13.38281 26.84078 
1 1 1    2   18   54 o  117.741   14.214   36.517   7.6082   32.210   10.664   40.982   10.858  108.988   21.699  126.494   18.367 -17.50631 28.42867 
1 1 1    2   18   55 o   54.839   16.048   4.4249   6.4322   7.9566   10.936   2.5571   7.9532   61.272   24.735   48.407   20.452 12.86433 32.09585 
1 1 1    2   18   56 o   61.254   14.823   5.6565   6.0064   19.579   9.4211  -3.8782   7.7963   82.775   23.344   39.733   18.275 43.04150 29.64629 
1 1 1    2   18   57 o  112.099   18.681   38.755   10.544   21.258   14.877   56.417   14.947   81.649   29.875  142.549   22.436 -60.90089 37.36169 
1 1 1    2   18   58 o   33.957   16.180  -6.9135   7.0952  -6.9135   7.0952   0.0000   0.0000   33.957   16.180  ?   ?       ?      ? 
1 1 1    2   18   59 o   64.400   16.617   11.608   6.2795   11.390   7.6659   12.053   10.948   63.378   21.600   65.422   25.257 -2.043915 33.23384 
1 1 1    2   18   60 o   62.999   14.994   11.628   5.5331   16.164   7.6605   6.6795   8.0006   73.137   21.188   52.862   21.221 20.27548 29.98772 
1 1 1    2   18   61 o   35.767   11.570  -1.8388   4.3536   0.2189   5.4710  -5.3915   7.1888   36.756   16.233   34.778   16.489 1.978199 23.13918 
1 1 1    2   18   62 o   47.779   12.471   2.2052   4.4109  -5.6133   5.7367   13.511   6.8985   30.069   14.388   65.490   20.373 -35.42122 24.94119 
1 1 1    2   18   63 o   58.015   15.616   9.6223   5.3092   7.8534   6.1810   14.600   10.368   52.005   19.220   64.026   24.618 -12.02022 31.23162 
1 1 1    2   18   64 o   41.342   19.365  -1.5850   9.3882   0.0000   0.0000  -1.5850   9.3882  ?   ?    41.342   19.365      ?      ? 
1 1 1    2   19    1 o  423.368   33.880  444.585   66.297  516.862   93.797  372.429   93.719  459.857   43.644  386.879   51.834 72.97818 67.76067 
1 1 1    2   19    2 o  643.612   40.057  991.710  115.604  1233.45  200.299  870.962  141.561  695.210   61.648  592.013   51.165 103.1964 80.11437 
1 1 1    2   19    3 o  225.271   16.598  120.715   16.452  118.552   28.399  121.807   20.184  223.230   27.221  227.312   19.000 -4.082077 33.19584 
1 1 1    2   19    4 o   82.922   12.093   14.884   4.5028   23.846   7.7546   10.325   5.5307  100.683   16.480   65.162   17.702 35.52047 24.18569 
1 1 1    2   19    5 o  544.751   39.911  778.670   92.691  661.534  160.497  837.292  113.540  503.435   68.215  586.067   41.453 -82.63153 79.82271 
1 1 1    2   19    6 o  582.972   33.273  767.262   86.669  1155.59  150.247  573.610  106.101  684.060   46.997  481.885   47.112 202.1753 66.54505 
1 1 1    2   19    7 o  272.025   21.692  196.246   24.140  131.552   41.681  228.898   29.611  232.778   38.313  311.272   20.355 -78.49318 43.38493 
1 1 1    2   19    8 o  693.237   39.384  1221.18  126.881  1358.86  179.442  1083.51  179.433  735.731   52.187  650.743   59.000 84.98779 78.76820 
1 1 1    2   19    9 o  376.368   25.768  341.350   42.780  349.010   74.053  337.513   52.411  377.320   41.994  375.416   29.872 1.904327 51.53516 
1 1 1    2   19   10 o   70.907   11.142   12.539   3.7127   16.501   5.0408   7.8416   5.4889   83.837   12.865   57.977   18.195 25.85978 22.28368 
1 1 1    2   19   11 o  198.188   12.238   92.554   11.335   92.285   15.979   92.826   16.081  197.901   17.276  198.475   17.337 -0.5738678 24.47546 
1 1 1    2   19   12 o  445.318   34.263  522.494   64.218  577.001   78.650  413.473  111.231  488.991   34.416  401.644   59.257 87.34656 68.52634 
1 1 1    2   19   13 o  335.108   26.336  267.523   41.246  267.523   41.246   0.0000   0.0000  335.108   26.336  ?   ?       ?      ? 
1 1 1    2   19   14 o  232.291   16.654  126.004   17.163  121.432   21.009  135.176   29.758  226.621   19.836  237.962   26.758 -11.34068 33.30848 
1 1 1    2   19   15 f  327.946   22.539  257.355   32.681  251.738   40.024  268.591   56.608  324.367   26.402  331.525   36.536 -7.157837 45.07745 
1 1 1    2   19   16 o  234.851   17.811  134.622   18.207  139.448   22.299  124.969   31.537  242.416   19.682  227.286   29.690 15.13022 35.62147 
1 1 1    2   19   17 o  182.689   16.925   87.058   12.534   97.964   15.366   65.376   21.667  203.567   16.152  161.811   29.747 41.75526 33.84953 
1 1 1    2   19   18 o  304.745   25.374  230.470   36.037  249.450   50.998  211.541   50.931  318.042   34.310  291.449   37.392 26.59329 50.74784 
1 1 1    2   19   19 f  110.829   20.843   30.208   10.399   30.208   10.399   0.0000   0.0000  110.829   20.843  ?   ?       ?      ? 
1 1 1    2   19   20 f  374.517   44.491  359.712   77.873  359.712   77.873   0.0000   0.0000  374.517   44.491  ?   ?       ?      ? 
1 1 1    2   19   21 o  160.302   22.266   61.541   16.681   61.541   16.681   0.0000   0.0000  160.302   22.266  ?   ?       ?      ? 
1 1 1    2   19   22 o  122.487   20.052   35.787   11.479   0.0000   0.0000   35.787   11.479  ?   ?   122.487   20.052      ?      ? 
1 1 1    2   19   23 o   31.273   14.372  -3.5377   4.8076   0.0000   0.0000  -3.5377   4.8076  ?   ?    31.273   14.372      ?      ? 
1 1 1    2   19   24 o  218.831   19.047  114.227   19.480   0.0000   0.0000  114.227   19.480  ?   ?   218.831   19.047      ?      ? 
1 1 1    2   19   25 o  330.005   18.565  267.587   28.181  214.624   39.759  321.054   39.948  295.533   28.787  364.476   23.452 -68.94315 37.13060 
1 1 1    2   19   26 o  160.392   16.253   68.317   10.529   49.752   18.106   77.803   12.943  139.768   28.680  181.016   15.299 -41.24725 32.50560 
1 1 1    2   19   27 o   72.290   12.770   13.051   4.3452   15.549   6.0777   10.440   6.2148   79.275   16.920   65.306   19.132 13.96964 25.54017 
1 1 1    2   19   28 o  125.940   11.036   37.920   6.4674   40.156   8.9284   35.450   9.3810  129.997   14.696  121.884   16.469 8.113091 22.07237 
1 1 1    2   19   29 o   82.052   14.780   16.850   5.6040   16.866   8.8858   16.840   7.2212   81.986   22.506   82.118   19.165 -0.1326218 29.56096 
1 1 1    2   19   30 o  110.048   10.997   28.905   5.6497   29.718   7.8867   28.048   8.0973  111.701   15.108  108.394   15.984 3.307175 21.99392 
1 1 1    2   19   31 o  186.985   15.001   82.843   12.537   92.467   21.535   77.909   15.419  194.072   23.743  179.898   18.340 14.17433 30.00109 
1 1 1    2   19   32 o   56.136   13.148   7.3017   4.0223   7.7507   5.5525   6.8058   5.8347   57.200   18.341   55.073   18.844 2.126785 26.29603 
1 1 1    2   19   33 o  374.575   25.389  349.630   42.691  456.592   74.035  296.347   52.254  411.657   38.482  337.492   33.129 74.16476 50.77803 
1 1 1    2   19   34 o  154.969   13.670   56.645   9.5029   65.262   16.283   52.195   11.702  162.905   21.388  147.032   17.030 15.87311 27.33971 
1 1 1    2   19   35 o  126.230   15.721   38.374   9.2743   0.0000   0.0000   38.374   9.2743  ?   ?   126.230   15.721      ?      ? 
1 1 1    2   19   36 o  320.331   43.023  292.702   64.409   0.0000   0.0000  292.702   64.409  ?   ?   320.331   43.023      ?      ? 
1 1 1    2   19   37 f  268.366   24.687  192.554   30.963  193.459   43.858  191.654   43.719  269.024   34.883  267.707   34.944 1.316620 49.37472 
1 1 1    2   19   38 o  243.555   20.209  158.771   21.060  169.704   25.867  137.277   36.269  261.832   21.139  225.278   34.449 36.55478 40.41758 
1 1 1    2   19   39 o  252.866   22.445  160.561   26.525  160.561   26.525   0.0000   0.0000  252.866   22.445  ?   ?       ?      ? 
1 1 1    2   19   40 o  356.059   20.214  333.623   33.450  369.882   47.319  297.405   47.292  377.824   26.798  334.294   30.270 43.52936 40.42793 
1 1 1    2   19   41 o   77.714   15.165   13.971   5.4372   10.659   6.5607   21.236   9.7159   65.230   19.792   90.198   22.983 -24.96761 30.33021 
1 1 1    2   19   42 o  215.884   14.097  115.755   14.131  129.786   19.951  101.631   20.017  229.858   18.573  201.911   21.213 27.94705 28.19462 
1 1 1    2   19   43 o  156.458   17.231   68.498   10.887   46.997   18.384   80.112   13.512  131.057   30.575  181.859   15.897 -50.80214 34.46128 
1 1 1    2   19   44 o  144.525   12.402   51.991   8.2213   61.656   11.478   41.806   11.782  159.313   15.416  129.738   19.431 29.57515 24.80358 
1 1 1    2   19   45 o  170.144   17.484   71.363   13.902   71.363   13.902   0.0000   0.0000  170.144   17.484  ?   ?       ?      ? 
1 1 1    2   19   46 o   91.971   18.097   21.930   8.1459   16.135   10.746   29.758   12.490   78.791   25.541  105.150   25.645 -26.35869 36.19437 
1 1 1    2   19   47 o  111.153   29.448   34.968   15.542   0.0000   0.0000   34.968   15.542  ?   ?   111.153   29.448      ?      ? 
1 1 1    2   19   48 o  101.862   17.550   28.819   8.1080   25.906   13.490   30.467   10.145   95.836   28.219  107.888   20.875 -12.05229 35.10088 
1 1 1    2   19   49 o   94.610   16.363   27.998   8.2271   5.4854   14.865   37.939   9.8778   65.789   27.888  123.431   17.123 -57.64165 32.72545 
1 1 1    2   19   50 o   68.540   16.383   12.023   6.2659   14.271   9.0955   9.9923   8.6444   73.128   23.477   63.953   22.858 9.175533 32.76611 
1 1 1    2   19   51 o   68.784   17.448   12.346   7.4414   16.157   8.6781   1.7615   14.464   77.048   22.618   60.520   26.574 16.52855 34.89621 
1 1 1    2   19   52 o  157.941   13.867   65.112   9.9315   81.883   14.076   48.486   14.015  180.530   16.683  135.352   22.156 45.17859 27.73445 
1 1 1    2   19   53 o   44.883   14.585  -6.7631   6.2712 -10.8905   7.4127   3.6291   11.762   32.424   15.723   57.341   24.571 -24.91696 29.17078 
1 1 1    2   19   54 o   85.558   19.280   22.064   9.6448   32.679   13.143   9.6774   14.197  104.310   26.814   66.807   27.711 37.50285 38.55954 
1 1 1    2   19   55 o   75.036   23.315   15.995   9.0383   0.0000   0.0000   15.995   9.0383  ?   ?    75.036   23.315      ?      ? 
1 1 1    2   19   56 o   97.619   20.542   31.402   10.318   37.322   14.293   24.959   14.909  108.728   27.968   86.509   30.096 22.21828 41.08484 
1 1 1    2   19   57 o   61.125   22.543   10.442   8.4949   10.442   8.4949   0.0000   0.0000   61.125   22.543  ?   ?       ?      ? 
1 1 1    2   19   58 o   77.464   15.371   11.491   6.8082  -0.7197   8.2858   36.868   11.945   43.657   19.584  111.271   23.696 -67.61446 30.74132 
1 1 1    2   19   59 o   48.780   15.175   0.5721   6.2082  -3.4397   7.4187   9.9460   11.340   37.607   17.482   59.954   24.808 -22.34698 30.34935 
1 1 1    2   19   60 o   66.895   15.611   15.301   6.4319   5.2356   11.480   19.906   7.7651   53.195   23.503   80.595   20.552 -27.40016 31.22171 
1 1 1    2   19   61 o   32.648   11.254  -8.9662   5.3810 -21.5449   10.640  -4.6434   6.2374   32.797   16.419   32.500   15.395 0.2966919 22.50739 
1 1 1    2   19   62 o   39.823   13.359  -4.5524   6.6287  -6.7153   10.506  -3.1219   8.5441   40.260   19.319   39.386   18.457 0.8738518 26.71872 
1 1 1    2   19   63 o   50.991   14.551   3.1867   6.6938 -12.5110   9.7041   17.436   9.2456   34.277   16.902   67.705   23.692 -33.42799 29.10296 
1 1 1    2   20    0 o  310.287   17.985  231.430   36.313  231.430   36.313  231.430   36.313  310.287   25.435  310.287   25.435 -0.000000 0.000000 
1 1 1    2   20    1 o  400.775   21.681  386.624   40.336  336.138   57.029  437.164   57.060  373.809   32.644  427.741   28.543 -53.93182 43.36281 
1 1 1    2   20    2 o  518.966   24.901  640.341   59.526  712.963   94.145  591.971   76.834  542.101   37.160  495.830   33.157 46.27057 49.80213 
1 1 1    2   20    3 o  228.747   13.782  125.247   14.413   95.494   20.355  155.159   20.410  200.844   21.686  256.650   17.016 -55.80580 27.56484 
1 1 1    2   20    4 o  169.741   11.221   67.857   8.8918   71.316   12.556   64.377   12.594  174.117   15.430  165.366   16.295 8.750443 22.44175 
1 1 1    2   20    5 o  924.820   56.227  2360.73  242.607  2495.91  343.101  2225.56  343.094  956.093   76.786  893.546   82.159 62.54608 112.4548 
1 1 1    2   20    6 o  581.002   38.281  852.232   97.783  868.624  169.364  844.036  119.759  577.244   62.780  584.760   43.821 -7.515808 76.56116 
1 1 1    2   20    7 o  477.818   37.473  556.539   83.680   0.0000   0.0000  556.539   83.680  ?   ?   477.818   37.473      ?      ? 
1 1 1    2   20    8 f  258.763   16.592  151.363   19.259  187.803   33.370  133.162   23.584  280.551   25.451  236.974   21.295 43.57672 33.18427 
1 1 1    2   20    9 o  393.982   28.167  388.435   48.336  367.606   83.716  398.851   59.201  381.847   46.911  406.117   31.192 -24.27026 56.33454 
1 1 1    2   20   10 o  232.596   20.003  130.600   21.684  141.570   30.688  119.661   30.644  242.669   27.059  222.524   29.467 20.14494 40.00607 
1 1 1    2   20   11 o  162.139   16.125   62.940   12.185   67.418   17.104   58.324   17.364  168.166   21.763  156.112   23.800 12.05437 32.24982 
1 1 1    2   20   12 o  221.200   19.309  118.217   19.959  115.795   28.130  120.671   28.323  218.867   27.501  223.533   27.111 -4.665604 38.61782 
1 1 1    2   20   13 o  237.848   29.062  137.433   32.305   0.0000   0.0000  137.433   32.305  ?   ?   237.848   29.062      ?      ? 
1 1 1    2   20   14 o  211.712   18.651  108.256   18.431  101.519   25.911  115.154   26.221  204.863   27.063  218.560   25.671 -13.69684 37.30135 
1 1 1    2   20   15 o  167.918   12.738   63.912   9.5770   77.493   16.627   57.170   11.715  180.403   19.721  155.432   16.128 24.97125 25.47618 
1 1 1    2   20   16 o  352.419   22.734  289.335   35.934  362.674   62.314  252.796   43.984  382.648   34.845  322.189   29.211 60.45929 45.46896 
1 1 1    2   20   17 o  167.230   16.360   67.571   12.657   57.085   17.973   77.886   17.826  153.905   24.988  180.556   21.125 -26.65085 32.72094 
1 1 1    2   20   18 o  257.681   21.719  162.867   26.089  176.158   36.970  149.683   36.820  268.647   29.446  246.714   31.934 21.93372 43.43755 
1 1 1    2   20   19 o  289.252   34.394  207.796   46.495   0.0000   0.0000  207.796   46.495  ?   ?   289.252   34.394      ?      ? 
1 1 1    2   20   20 o   52.945   13.778   4.4333   3.9782   8.2812   8.0826   3.2030   4.5701   62.558   22.130   43.332   16.419 19.22597 27.55543 
1 1 1    2   20   21 o  222.532   16.210  115.803   16.057  130.868   27.914  108.354   19.629  232.160   25.727  212.904   19.728 19.25621 32.42015 
1 1 1    2   20   22 o  254.597   31.212  160.888   37.138  160.888   37.138   0.0000   0.0000  254.597   31.212  ?   ?       ?      ? 
1 1 1    2   20   23 o  320.911   18.073  251.621   27.105  254.150   38.316  249.088   38.348  322.605   25.413  319.217   25.705 3.387573 36.14673 
1 1 1    2   20   24 o  124.656   10.717   37.277   6.1818   41.853   8.5734   32.322   8.9219  132.879   13.806  116.434   16.396 16.44521 21.43402 
1 1 1    2   20   25 o  243.026   19.699  156.646   20.062  118.309   34.453  176.312   24.677  215.363   34.231  270.689   19.506 -55.32574 39.39829 
1 1 1    2   20   26 o  192.934   15.707   91.465   13.314   86.939   22.770   93.817   16.413  187.949   25.922  197.919   17.744 -9.969360 31.41328 
1 1 1    2   20   27 o  159.176   11.511   60.577   8.5162   52.787   11.911   68.725   12.181  148.503   17.162  169.850   15.345 -21.34685 23.02202 
1 1 1    2   20   28 o  106.559   11.752   27.976   5.5408   20.175   7.7655   36.066   7.9083   89.899   19.074  123.218   13.733 -33.31857 23.50312 
1 1 1    2   20   29 o  198.198   14.921   92.182   13.221   84.620   16.203  107.251   22.873  187.367   18.503  209.028   23.414 -21.66151 29.84249 
1 1 1    2   20   30 o  182.762   12.729   81.189   10.750   93.641   15.083   68.334   15.325  197.622   16.330  167.903   19.530 29.71895 25.45769 
1 1 1    2   20   31 o  212.543   16.058  107.205   15.247  125.956   26.451   97.875   18.658  224.648   25.194  200.439   19.918 24.20929 32.11593 
1 1 1    2   20   32 o   43.031   12.093   0.4367   4.3567 -11.2580   7.5632   6.2443   5.3298   33.465   16.143   52.598   18.010 -19.13306 24.18617 
1 1 1    2   20   33 o   70.435   14.010   9.7489   4.9394   21.554   8.7460   4.2203   5.9853   91.921   20.839   48.950   18.732 42.97091 28.02063 
1 1 1    2   20   34 o   73.285   14.500   12.500   5.1112   18.657   8.4555   8.9555   6.4161   85.490   21.254   61.079   19.729 24.41105 28.99952 
1 1 1    2   20   35 o  181.056   18.036   82.647   15.174   93.227   21.653   72.436   21.271  193.217   23.979  168.894   26.948 24.32254 36.07228 
1 1 1    2   20   36 o  141.043   13.115   45.302   8.2020   38.825   9.8850   59.616   14.695  126.556   16.713  155.531   20.217 -28.97511 26.23048 
1 1 1    2   20   37 o  123.147   15.009   38.915   7.7615   39.978   9.4235   36.673   13.686  128.475   15.695  117.819   25.588 10.65623 30.01735 
1 1 1    2   20   38 o   71.953   14.117   14.093   5.2817   5.7536   8.8645   18.683   6.5765   57.680   22.599   86.225   16.924 -28.54462 28.23377 
1 1 1    2   20   39 o   77.253   13.271   15.252   4.7623   17.146   6.7003   13.318   6.7701   82.271   17.932   72.234   19.569 10.03773 26.54274 
1 1 1    2   20   40 o   88.169   12.684   19.649   5.0485   18.573   7.1320   20.729   7.1472   85.550   18.385   90.787   17.479 -5.236832 25.36828 
1 1 1    2   20   41 o   75.081   12.230   13.784   4.7174   4.6410   6.5346   23.736   6.8174   50.917   19.551   99.245   14.698 -48.32771 24.46014 
1 1 1    2   20   42 o   51.713   13.328   5.5003   4.1772   4.4173   5.6301   6.8265   6.2303   48.296   18.242   55.129   19.437 -6.832172 26.65657 
1 1 1    2   20   43 o   91.312   14.855   23.019   6.1210   26.428   7.4799   16.110   10.650  104.133   15.370   78.492   25.425 25.64049 29.70969 
1 1 1    2   20   44 o  109.434   15.279   30.729   7.1889   30.803   8.7550   30.576   12.596  112.172   16.700  106.695   25.590 5.477097 30.55707 
1 1 1    2   20   45 o   97.312   18.259   25.786   8.4414   25.957   11.872   25.611   12.005   97.699   25.669   96.925   25.975 0.7742310 36.51799 
1 1 1    2   20   46 o   83.116   16.078   17.078   6.2401   24.460   10.665   13.235   7.6948   95.059   24.002   71.173   21.398 23.88551 32.15536 
1 1 1    2   20   47 o  208.717   19.026  119.592   17.072  111.453   29.667  123.621   20.874  197.139   32.200  220.296   20.275 -23.15759 38.05149 
1 1 1    2   20   48 o  106.969   19.027   32.359   9.5184   30.137   13.753   34.402   13.187  102.695   27.921  111.243   25.856 -8.548111 38.05408 
1 1 1    2   20   49 o  112.198   17.096   34.840   8.2987   35.999   10.035   32.332   14.761  119.400   17.983  104.996   29.082 14.40364 34.19298 
1 1 1    2   20   50 o   52.605   14.793   0.9770   5.3611  -3.7178   6.3674   12.409   9.9362   35.992   16.540   69.217   24.531 -33.22504 29.58603 
1 1 1    2   20   51 o   54.590   15.000   6.0350   5.4702   5.7469   7.4070   6.3807   8.1133   53.425   20.733   55.756   21.682 -2.331692 29.99973 
1 1 1    2   20   52 o  110.620   14.533   32.882   7.2954   26.295   10.072   40.151   10.581   96.720   22.677  124.521   18.182 -27.80167 29.06581 
1 1 1    2   20   53 o   69.875   19.310   12.432   9.2133   15.675   13.109   9.2662   12.951   74.475   27.897   65.275   26.706 9.199356 38.61997 
1 1 1    2   20   54 o   70.456   18.683   12.489   8.6358   5.6835   11.675   20.710   12.832   58.775   24.804   82.137   27.946 -23.36184 37.36604 
1 1 1    2   20   55 o   57.905   16.925   7.0604   7.5015   4.9235   11.078   8.8700   10.194   55.674   23.850   60.137   24.021 -4.462574 33.85009 
1 1 1    2   20   56 o   33.675   16.227  -8.9985   7.5949  -8.9985   7.5949   0.0000   0.0000   33.675   16.227  ?   ?       ?      ? 
1 1 1    2   20   57 o   68.707   17.375   12.362   6.7685   7.9841   8.1898   21.795   12.022   56.265   21.811   81.149   27.052 -24.88323 34.74913 
1 1 1    2   20   58 o   50.335   15.274   0.1378   6.4013  -6.5931   7.8044   13.976   11.190   35.472   16.921   65.198   25.433 -29.72560 30.54787 
1 1 1    2   20   59 o   48.823   14.211   5.1611   5.2731   7.8270   7.7083   2.8160   7.2294   53.274   21.011   44.372   19.141 8.902405 28.42257 
1 1 1    2   20   60 o   65.511   16.704   13.143   6.1486   21.300   11.162   9.5896   7.3672   75.056   26.044   55.965   20.923 19.09045 33.40786 
1 1 1    2   20   61 o   62.610   15.567   11.385   6.2498   3.1513   8.2599   22.412   9.5588   45.557   20.041   79.664   23.827 -34.10627 31.13472 
1 1 1    2   20   62 o   56.986   15.616   11.556   6.1453   13.810   7.8351   7.9537   9.9063   62.255   21.808   51.718   22.358 10.53659 31.23296 
1 1 1    2   21    0 o  116.315   10.463   33.264   7.6883   33.264   7.6883   33.264   7.6883  116.315   14.796  116.315   14.796 -0.000000 0.000000 
1 1 1    2   21    1 o  406.361   22.956  404.862   43.588  413.644   61.654  396.088   61.630  410.979   32.100  401.743   32.825 9.236237 45.91157 
1 1 1    2   21    2 o  340.304   19.869  291.070   29.554  176.999   41.728  405.877   41.863  268.366   33.270  412.241   21.729 -143.8757 39.73726 
1 1 1    2   21    3 o  116.743   8.6511   31.142   4.6481   37.960   7.3907   26.681   5.9785  126.993   12.453  106.494   12.012 20.49871 17.30214 
1 1 1    2   21    4 o   85.716   12.852   19.165   4.7944   21.917   5.8718   13.661   8.3048   96.461   13.025   74.972   22.160 21.48926 25.70401 
1 1 1    2   21    5 o  442.019   27.500  471.790   49.706  527.388   99.441  453.271   57.391  451.834   47.092  432.204   28.412 19.62952 54.99917 
1 1 1    2   21    6 o  306.074   15.556  223.816   21.805  224.910   34.458  223.085   28.160  306.004   24.095  306.145   19.681 -0.1402588 31.11142 
1 1 1    2   21    7 o  173.801   11.533   62.986   8.4503   92.394   16.996   53.329   9.7395  197.230   18.439  150.373   13.859 46.85709 23.06634 
1 1 1    2   21    8 o   80.020   12.105   16.571   3.8753   13.063   7.8891   17.687   4.4491   73.294   21.579   86.746   10.974 -13.45200 24.20955 
1 1 1    2   21    9 o  166.931   10.153   65.016   7.8018   70.052   12.316   61.640   10.083  172.154   15.307  161.708   13.342 10.44527 20.30574 
1 1 1    2   21   10 o  176.519   11.267   78.251   8.7059   56.732   13.698   92.834   11.276  154.444   18.978  198.594   12.150 -44.15031 22.53353 
1 1 1    2   21   11 o  105.468   8.6665   25.725   4.2295   29.623   6.5693   22.966   5.5275  112.152   12.533   98.784   11.973 13.36864 17.33303 
1 1 1    2   21   12 o  107.354   9.8398   27.108   4.9230   24.414   6.7739   30.125   7.1673  101.692   14.253  113.015   13.570 -11.32341 19.67967 
1 1 1    2   21   13 o  195.006   16.587   95.440   13.796  102.739   16.839   80.542   24.059  208.078   17.316  181.934   28.296 26.14418 33.17397 
1 1 1    2   21   14 o  144.497   14.521   49.335   9.8064   49.335   9.8064   0.0000   0.0000  144.497   14.521  ?   ?       ?      ? 
1 1 1    2   21   15 o  204.254   16.062  102.660   14.258  107.490   17.500   93.124   24.590  212.689   17.606  195.820   26.869 16.86937 32.12351 
1 1 1    2   21   16 o  299.389   21.844  222.548   28.601  226.173   35.044  215.318   49.496  305.925   24.511  292.853   36.164 13.07208 43.68764 
1 1 1    2   21   17 o   92.547   22.180   21.397   9.4682   21.397   9.4682   0.0000   0.0000   92.547   22.180  ?   ?       ?      ? 
1 1 1    2   21   18 f  290.582   21.119  208.289   26.973  209.167   46.701  207.850   33.041  288.325   34.658  292.839   24.143 -4.513885 42.23776 
1 1 1    2   21   19 o  532.014   44.078  835.456  101.296  823.673  175.454  841.347  124.060  505.733   74.233  558.295   47.547 -52.56198 88.15504 
1 1 1    2   21   20 o  161.432   10.759   62.087   8.0782   69.289   11.465   54.986   11.384  170.901   14.354  151.963   16.029 18.93819 21.51713 
1 1 1    2   21   21 o   43.354   11.251   3.1424   3.1632   0.3062   4.5424   5.8129   4.4076   36.523   15.445   50.184   16.363 -13.66164 22.50106 
1 1 1    2   21   22 o  457.606   26.016  541.221   55.633  549.323   78.677  533.119   78.678  461.395   36.487  453.818   37.096 7.577240 52.03253 
1 1 1    2   21   23 o  382.482   20.909  366.434   37.209  328.773   52.569  404.247   52.675  361.397   31.124  403.566   27.928 -42.16956 41.81754 
1 1 1    2   21   24 o   82.575   11.766   16.844   4.3834   16.058   6.1361   17.663   6.2640   80.520   16.847   84.630   16.430 -4.109840 23.53227 
1 1 1    2   21   25 o  136.088   10.260   44.035   6.5209   41.750   9.0795   46.468   9.3712  132.419   14.671  139.757   14.348 -7.337830 20.52073 
1 1 1    2   21   26 o  126.585   10.766   38.408   6.2759   30.538   8.7439   46.770   9.0130  112.906   16.571  140.264   13.749 -27.35793 21.53225 
1 1 1    2   21   27 o   70.616   14.107   11.570   4.8867   17.250   7.8235   7.9354   6.2576   82.695   20.375   58.537   19.517 24.15761 28.21446 
1 1 1    2   21   28 o  270.581   16.283  180.608   20.587  183.821   29.067  177.374   29.163  273.155   22.769  268.007   23.283 5.148163 32.56600 
1 1 1    2   21   29 o   55.295   12.963   6.7281   3.9516   4.5086   5.2409   9.6523   6.0157   47.963   17.703   62.628   18.941 -14.66493 25.92603 
1 1 1    2   21   30 f  173.774   14.758   72.075   11.415   81.931   19.842   67.200   13.956  181.232   23.426  166.316   17.955 14.91595 29.51563 
1 1 1    2   21   31 o   60.242   14.988   8.0356   5.0679   8.1116   8.6309   7.9956   6.2609   62.065   22.748   58.420   19.522 3.645763 29.97669 
1 1 1    2   21   32 o  198.263   21.564  105.233   18.542  139.872   26.189   70.418   26.255  237.050   23.639  159.476   36.071 77.57393 43.12701 
1 1 1    2   21   33 o   49.703   13.482  -0.7299   5.2250  -9.6497   6.9674   10.733   7.8983   32.732   15.714   66.675   21.912 -33.94302 26.96390 
1 1 1    2   21   34 o  170.001   18.289   74.547   14.091   64.458   19.776   84.951   20.083  156.112   28.141  183.891   23.368 -27.77917 36.57799 
1 1 1    2   21   35 o   43.947   13.516  -0.8338   5.2746   1.8229   6.9232  -4.5096   8.1434   46.500   19.324   41.393   18.903 5.106434 27.03269 
1 1 1    2   21   36 o   90.955   14.414   23.306   6.1208   11.775   10.101   29.997   7.6942   70.429   24.757  111.481   14.768 -41.05132 28.82702 
1 1 1    2   21   37 o  115.959   15.626   35.551   7.5448   37.676   9.0737   30.791   13.582  124.764   15.561  107.155   27.102 17.60947 31.25204 
1 1 1    2   21   38 o  132.610   16.109   47.479   8.7035   51.711   10.514   38.264   15.515  146.210   15.386  119.010   28.307 27.20016 32.21855 
1 1 1    2   21   39 o  129.681   11.569   41.053   6.9636   45.436   9.7202   36.431   9.9812  137.176   15.162  122.186   17.479 14.99024 23.13878 
1 1 1    2   21   40 o  172.945   13.039   75.587   9.8888   46.505   13.811  106.178   14.165  136.133   21.709  209.757   14.450 -73.62323 26.07792 
1 1 1    2   21   41 o   39.559   12.834  -4.3575   5.3295  -3.4162   6.9337  -5.7165   8.3316   38.675   17.577   40.443   18.705 -1.767635 25.66741 
1 1 1    2   21   42 o   49.446   14.392   3.0275   5.1171   4.8105   5.9461  -2.0632   10.047   49.776   18.760   49.116   21.830 0.6608429 28.78366 
1 1 1    2   21   43 o  262.051   29.412  212.634   33.680  270.781   47.685  154.752   47.576  311.082   32.799  213.020   48.832 98.06168 58.82479 
1 1 1    2   21   44 o  152.638   19.863   66.042   13.470   92.134   19.002   39.684   19.098  189.877   21.413  115.399   33.461 74.47884 39.72619 
1 1 1    2   21   45 o   53.370   14.814   5.1592   5.3989   1.6073   9.1968   7.0269   6.6690   51.100   21.807   55.639   20.056 -4.538532 29.62754 
1 1 1    2   21   46 o   55.606   14.793   6.6163   5.2833   8.8339   6.3704   1.7303   9.4561   59.514   19.685   51.698   22.088 7.815445 29.58671 
1 1 1    2   21   47 o  211.955   21.836  137.735   18.191  155.588   22.270  101.947   31.531  247.060   19.288  176.850   39.181 70.21056 43.67101 
1 1 1    2   21   48 o   51.230   15.235   2.2964   6.1798   0.0000   8.1966   5.3209   9.4068   46.084   20.126   56.376   22.877 -10.29173 30.46967 
1 1 1    2   21   49 o  152.119   17.630   66.342   11.067   72.299   13.622   54.778   18.981  169.214   17.225  135.024   30.765 34.19086 35.25903 
1 1 1    2   21   50 o   49.798   12.495   1.3282   4.8341   12.641   6.7503 -10.5818   6.9260   68.488   19.903   31.107   15.111 37.38099 24.98948 
1 1 1    2   21   51 o   99.284   19.328   29.933   9.2518   28.646   12.854   31.317   13.327   97.102   27.226  101.465   27.442 -4.363075 38.65666 
1 1 1    2   21   52 o  104.573   16.750   31.571   7.8707   28.209   13.305   33.382   9.7621   95.898   27.964  113.248   18.445 -17.34967 33.49916 
1 1 1    2   21   53 o   50.467   14.585   4.0030   5.7337  -2.2040   9.4212   7.6544   7.2260   45.137   20.504   55.798   20.749 -10.66185 29.17074 
1 1 1    2   21   54 o  106.108   19.026   36.138   9.6167   27.786   13.145   45.756   14.106   90.755   28.104  121.461   25.655 -30.70632 38.05223 
1 1 1    2   21   55 o  128.496   17.019   48.173   9.4429   46.905   11.623   50.636   16.196  131.640   18.892  125.353   28.314 6.287209 34.03810 
1 1 1    2   21   56 o   46.937   19.938   3.3207   7.6235   3.3207   7.6235   0.0000   0.0000   46.937   19.938  ?   ?       ?      ? 
1 1 1    2   21   57 o   69.144   17.242   13.146   6.7606   7.1090   8.1374   26.598   12.147   52.788   21.327   85.500   27.097 -32.71168 34.48346 
1 1 1    2   21   58 o   40.293   12.763  -0.2700   4.8834   3.3899   7.7047  -2.7277   6.3136   45.747   19.747   34.840   16.173 10.90728 25.52503 
1 1 1    2   21   59 o   46.955   13.853   4.6529   5.0483   6.5286   7.5499   3.1361   6.7893   50.238   20.454   43.673   18.689 6.564987 27.70645 
1 1 1    2   21   60 o   45.218   14.472   2.1806   6.4642   1.4806   10.427   2.6176   8.2385   46.053   21.164   44.384   19.745 1.668644 28.94473 
1 1 1    2   22    0 o  217.892   20.750  119.051   28.359  119.051   28.359  119.051   28.359  217.892   29.345  217.892   29.345 -0.000000 0.000000 
1 1 1    2   22    1 o  118.660   9.8812   33.291   5.4419   38.371   7.7943   28.460   7.6013  127.581   13.072  109.739   14.821 17.84229 19.76237 
1 1 1    2   22    2 o  158.403   13.127   58.650   9.2118   56.542   11.261   62.914   16.016  154.584   15.587  162.221   21.125 -7.637222 26.25336 
1 1 1    2   22    3 o   45.511   10.271   4.8673   2.4654   3.5325   4.0787   5.6358   3.0948   42.861   15.649   48.162   13.307 -5.301449 20.54189 
1 1 1    2   22    4 o   91.503   10.072   20.123   4.1768   17.293   5.8802   23.005   5.9340   84.210   15.513   98.796   12.852 -14.58556 20.14487 
1 1 1    2   22    5 o  130.660   10.189   40.439   6.1959   36.271   8.7659   44.600   8.7587  123.839   15.146  137.480   13.632 -13.64112 20.37715 
1 1 1    2   22    6 o  417.274   23.151  430.129   45.143  436.140   63.837  424.117   63.846  420.358   32.495  414.189   32.983 6.168274 46.30130 
1 1 1    2   22    7 o  475.284   22.055  544.351   48.314  624.453   76.423  491.021   62.357  502.781   32.524  447.788   29.797 54.99295 44.10948 
1 1 1    2   22    8 o  339.091   24.668  304.094   32.290  252.009   64.543  321.482   37.293  312.020   44.262  366.162   21.793 -54.14252 49.33565 
1 1 1    2   22    9 o   94.667   9.1636   21.526   3.9270   19.417   6.2127   22.930   5.0677   90.609   14.671   98.725   10.984 -8.115860 18.32720 
1 1 1    2   22   10 o  191.212   11.193   88.028   9.7163   80.362   15.308   93.199   12.574  183.766   17.825  198.659   13.543 -14.89326 22.38573 
1 1 1    2   22   11 o  456.785   24.809  524.667   52.726  577.979   74.572  471.373   74.560  481.751   33.122  431.819   36.946 49.93222 49.61887 
1 1 1    2   22   12 o  387.190   21.960  372.039   39.595  337.689   55.976  406.438   56.015  368.202   32.529  406.178   29.508 -37.97665 43.91912 
1 1 1    2   22   13 o  213.180   13.237  108.676   13.169  115.914   18.712  101.572   18.538  220.355   18.170  206.005   19.255 14.34987 26.47437 
1 1 1    2   22   14 o  380.966   47.484  392.003   84.543  392.003   84.543   0.0000   0.0000  380.966   47.484  ?   ?       ?      ? 
1 1 1    2   22   15 o  218.348   19.514  117.658   19.895  123.378   28.180  111.973   28.092  223.917   26.928  212.778   28.250 11.13882 39.02790 
1 1 1    2   22   16 o  304.573   22.185  231.477   29.765  237.756   51.525  228.333   36.465  304.081   36.257  305.066   25.577 -0.9846497 44.37009 
1 1 1    2   22   17 o  153.715   15.919   57.398   11.430   59.751   16.239   55.087   16.091  156.933   22.141  150.496   22.878 6.436630 31.83789 
1 1 1    2   22   18 o  224.331   13.146  120.920   13.748  110.982   19.384  130.980   19.503  214.812   19.308  233.849   17.845 -19.03728 26.29164 
1 1 1    2   22   19 o  290.985   17.098  207.622   23.138  184.803   32.699  230.504   32.745  274.192   25.518  307.779   22.765 -33.58691 34.19629 
1 1 1    2   22   20 o  264.514   15.521  170.695   19.041  194.301   26.961  147.203   26.896  283.551   20.345  245.477   23.444 38.07365 31.04121 
1 1 1    2   22   21 o   91.335   10.123   19.839   4.3176   20.891   6.1481   18.816   6.0647   93.754   14.032   88.916   14.594 4.838539 20.24559 
1 1 1    2   22   22 o  408.626   23.886  433.187   44.863  516.080   63.515  350.657   63.377  451.893   30.075  365.360   37.116 86.53296 47.77142 
1 1 1    2   22   23 f  255.659   15.396  162.382   17.775  116.003   25.080  209.193   25.196  216.687   24.765  294.632   18.298 -77.94507 30.79203 
1 1 1    2   22   24 o  145.651   11.264   50.834   7.6589   51.382   10.622   50.242   11.053  146.561   15.508  144.742   16.340 1.819138 22.52763 
1 1 1    2   22   25 o  294.832   24.787  216.370   34.154  216.370   34.154   0.0000   0.0000  294.832   24.787  ?   ?       ?      ? 
1 1 1    2   22   26 o   45.300   13.683   0.3657   5.0902   0.6403   6.7354   0.0000   7.7728   44.280   18.771   46.320   19.914 -2.039593 27.36666 
1 1 1    2   22   27 f  279.684   21.519  204.830   26.175  198.525   45.433  207.962   32.023  270.860   35.891  288.508   23.750 -17.64801 43.03711 
1 1 1    2   22   28 o  338.460   26.082  311.366   38.537  313.687   66.795  310.207   47.181  330.240   43.279  346.681   29.120 -16.44028 52.16340 
1 1 1    2   22   29 o   73.996   22.692   13.704   8.5934   0.0000   0.0000   13.704   8.5934  ?   ?    73.996   22.692      ?      ? 
1 1 1    2   22   30 o  120.057   16.335   36.290   8.9678   41.869   13.020   31.255   12.370  130.330   21.376  109.785   24.706 20.54554 32.66937 
1 1 1    2   22   31 o  163.991   14.302   64.421   10.350   60.863   12.569   71.917   18.244  158.395   16.979  169.588   23.018 -11.19275 28.60313 
1 1 1    2   22   32 o  165.599   15.542   70.028   11.060   72.769   13.459   64.330   19.408  173.017   16.645  158.182   26.253 14.83511 31.08458 
1 1 1    2   22   33 o  204.999   20.781  120.675   16.843  137.174   20.596   87.365   29.264  236.093   18.666  173.905   37.136 62.18828 41.56299 
1 1 1    2   22   34 o   45.519   12.841   1.3501   4.6531  -6.7231   7.4202   6.5822   5.9735   36.816   17.236   54.222   19.039 -17.40527 25.68219 
1 1 1    2   22   35 o   85.002   14.952   19.482   5.9537   13.955   9.6040   22.932   7.5877   74.447   24.147   95.557   17.640 -21.11021 29.90439 
1 1 1    2   22   36 o  141.747   11.537   48.798   7.6417   48.533   10.709   49.072   10.908  141.392   16.207  142.103   16.424 -0.7106018 23.07394 
1 1 1    2   22   37 o   73.919   16.282   12.273   6.6712   4.9940   8.8522   21.841   10.149   56.464   22.437   91.373   23.601 -34.90877 32.56409 
1 1 1    2   22   38 o  131.980   11.572   42.513   7.1264   44.900   10.036   40.085   10.121  135.908   15.800  128.052   16.913 7.855545 23.14467 
1 1 1    2   22   39 o   54.386   14.865   5.5134   5.0268   5.7286   5.9520   4.9781   9.3877   51.822   18.906   56.950   22.943 -5.127934 29.72932 
1 1 1    2   22   40 o   31.561   14.741  -4.7815   5.3744  -4.7815   5.3744   0.0000   0.0000   31.561   14.741  ?   ?       ?      ? 
1 1 1    2   22   41 o   46.165   14.700  -3.1915   6.6072  -2.3597   10.067  -3.8211   8.7573   48.685   21.731   43.645   19.804 5.039421 29.40099 
1 1 1    2   22   42 o  103.843   18.082   29.038   9.1987   43.890   13.543   16.315   12.534  128.669   23.382   79.017   27.588 49.65221 36.16413 
1 1 1    2   22   43 o   57.960   23.325   5.5965   9.6910   5.5965   9.6910   0.0000   0.0000   57.960   23.325  ?   ?       ?      ? 
1 1 1    2   22   44 o  146.206   13.685   49.555   8.9389   73.414   15.602   37.898   10.906  169.991   19.639  122.421   19.062 47.57075 27.36917 
1 1 1    2   22   45 o  145.715   16.093   55.897   9.9033   55.300   12.028   57.155   17.450  148.551   17.325  142.880   27.125 5.671188 32.18552 
1 1 1    2   22   46 o  107.549   13.147   29.869   6.4256   33.057   9.0449   26.622   9.1302  114.837   16.853  100.262   20.184 14.57497 26.29447 
1 1 1    2   22   47 o   80.314   17.760   18.007   7.6039   22.556   10.585   13.156   10.930   89.581   24.553   71.046   25.666 18.53472 35.51918 
1 1 1    2   22   48 o   53.376   13.976   6.3593   4.6876   8.0071   6.4342   4.4952   6.8433   56.868   19.772   49.883   19.757 6.985142 27.95130 
1 1 1    2   22   49 o   59.076   14.027   8.4969   5.0268   13.935   6.9315   2.4633   7.3009   71.320   19.992   46.832   19.681 24.48812 28.05344 
1 1 1    2   22   50 o   68.195   15.109   12.741   5.3559   13.612   7.7284   11.936   7.4291   70.169   21.520   66.220   21.213 3.949303 30.21720 
1 1 1    2   22   51 o   57.468   15.606   4.8118   6.7955   15.061   9.5396  -5.7472   9.6826   72.401   24.095   42.536   19.840 29.86554 31.21189 
1 1 1    2   22   52 o   87.525   16.838   21.790   6.9126   30.108   11.543   17.138   8.6318   99.083   24.944   75.967   22.624 23.11591 33.67542 
1 1 1    2   22   53 o   61.683   23.355   10.473   9.2426   10.473   9.2426   0.0000   0.0000   61.683   23.355  ?   ?       ?      ? 
1 1 1    2   22   54 f   43.634   13.537   1.1660   5.0773   2.9256   5.9377  -3.6199   9.7926   43.535   17.978   43.732   20.245 -0.1974716 27.07488 
1 1 1    2   22   55 o   76.341   20.968   17.829   7.7102   0.0000   0.0000   17.829   7.7102  ?   ?    76.341   20.968      ?      ? 
1 1 1    2   22   56 o   34.457   16.106  -3.5411   6.4354  -3.5411   6.4354   0.0000   0.0000   34.457   16.106  ?   ?       ?      ? 
1 1 1    2   22   57 f   66.689   14.773   14.091   5.2985   9.9182   7.3280   18.663   7.6700   56.702   20.933   76.677   20.853 -19.97505 29.54671 
1 1 1    2   22   58 f   36.136   11.985  -3.3483   4.9876  -3.8406   6.4240  -2.6011   7.9138   33.707   15.862   38.566   17.971 -4.859146 23.96949 
1 1 1    2   22   59 o   66.157   26.221   18.871   12.060   18.871   12.060   0.0000   0.0000   66.157   26.221  ?   ?       ?      ? 
1 1 1    2   23    0 o  449.757   25.897  502.398   75.808  502.398   75.808  502.398   75.808  449.757   36.624  449.757   36.624 -0.000000 0.000000 
1 1 1    2   23    1 o  220.268   17.354  121.645   16.502  128.968   20.242  107.136   28.493  232.260   18.648  208.276   29.272 23.98419 34.70769 
1 1 1    2   23    2 o  138.186   10.237   45.322   6.5987   42.556   9.3920   48.018   9.2730  133.945   15.003  142.428   13.931 -8.483414 20.47384 
1 1 1    2   23    3 o  179.986   13.520   74.574   10.873   87.808   18.885   68.011   13.298  190.981   21.158  168.991   16.838 21.98967 27.04045 
1 1 1    2   23    4 o  194.640   12.067   94.928   10.356   72.300   16.342  110.114   13.388  173.501   20.154  215.779   13.276 -42.27708 24.13316 
1 1 1    2   23    5 o  181.235   10.457   76.602   8.7283   85.558   13.821   70.661   11.257  189.745   15.586  172.725   13.945 17.01994 20.91392 
1 1 1    2   23    6 o  215.021   13.452  112.205   13.228  138.464   18.739   86.122   18.676  241.055   16.634  188.986   21.145 52.06940 26.90376 
1 1 1    2   23    7 o  230.763   14.841  121.464   14.171  143.948   28.359  113.981   16.360  242.708   25.002  218.818   15.997 23.89091 29.68165 
1 1 1    2   23    8 o   46.075   10.158   5.0127   2.5647   2.2865   3.9963   6.9218   3.3441   39.096   15.213   53.054   13.465 -13.95826 20.31602 
1 1 1    2   23    9 o   69.465   12.668   12.554   4.1162   8.8648   7.0001   14.503   5.0891   62.009   20.640   76.921   14.692 -14.91212 25.33544 
1 1 1    2   23   10 o  138.178   9.7805   45.421   6.2690   52.234   8.9325   38.807   8.8003  148.559   12.866  127.797   14.735 20.76261 19.56096 
1 1 1    2   23   11 o  372.178   33.993  382.631   58.857  347.164   83.278  418.026   83.194  351.775   50.655  392.582   45.344 -40.80692 67.98544 
1 1 1    2   23   12 o  213.431   18.870  112.665   18.665  130.149   26.639   95.802   26.161  230.542   24.724  196.320   28.513 34.22215 37.73978 
1 1 1    2   23   13 o  189.715   17.848   88.338   15.818   84.844   22.249   91.909   22.492  185.783   25.625  193.648   24.852 -7.865204 35.69694 
1 1 1    2   23   14 f  159.848   14.635   63.913   10.095   55.609   17.394   68.129   12.396  150.610   24.712  169.085   15.686 -18.47464 29.26996 
1 1 1    2   23   15 o  306.599   20.629  225.868   28.258  205.143   34.575  267.567   49.043  288.552   25.639  324.646   32.324 -36.09387 41.25728 
1 1 1    2   23   16 o  357.164   19.297  317.916   32.048  282.884   45.282  353.073   45.363  336.159   28.823  378.168   25.667 -42.00882 38.59438 
1 1 1    2   23   17 o   66.553   11.494   10.767   3.7048   6.0151   5.0672   16.225   5.4304   51.769   17.562   81.338   14.832 -29.56828 22.98701 
1 1 1    2   23   18 o  385.474   32.173  379.980   57.959  379.980   57.959   0.0000   0.0000  385.474   32.173  ?   ?       ?      ? 
1 1 1    2   23   19 o  175.012   11.828   73.621   9.6406   80.369   13.617   66.840   13.651  183.288   15.897  166.735   17.518 16.55255 23.65559 
1 1 1    2   23   20 o  250.674   15.237  153.580   17.845  149.791   25.277  157.345   25.198  247.432   21.858  253.916   21.234 -6.483902 30.47413 
1 1 1    2   23   21 o  169.999   11.509   69.530   9.1030   77.547   12.951   61.702   12.798  179.943   15.400  160.056   17.109 19.88683 23.01872 
1 1 1    2   23   22 o  332.152   44.104  313.931   68.463  313.931   68.463   0.0000   0.0000  332.152   44.104  ?   ?       ?      ? 
1 1 1    2   23   23 o  222.081   17.444  123.333   16.964  124.198   29.551  122.908   20.717  219.978   28.744  224.184   19.773 -4.205475 34.88869 
1 1 1    2   23   24 o  117.429   13.994   35.142   6.8346   32.033   12.143   36.583   8.2685  111.300   24.048  123.558   14.319 -12.25757 27.98790 
1 1 1    2   23   25 o   46.738   13.482   1.5698   4.3328   5.2779   7.9453   0.0003   5.1690   55.436   21.485   38.040   16.294 17.39655 26.96437 
1 1 1    2   23   26 o  205.950   27.727  108.008   26.688   0.0000   0.0000  108.008   26.688  ?   ?   205.950   27.727      ?      ? 
1 1 1    2   23   27 o  156.110   18.287   64.333   12.373   90.972   17.620   38.421   17.378  192.903   19.545  119.316   30.914 73.58672 36.57422 
1 1 1    2   23   28 o  227.850   20.292  127.911   21.609  127.911   21.609   0.0000   0.0000  227.850   20.292  ?   ?       ?      ? 
1 1 1    2   23   29 o  176.939   15.968   79.958   12.169   82.746   14.819   74.185   21.324  184.300   17.205  169.578   26.906 14.72151 31.93667 
1 1 1    2   23   30 o  175.258   14.698   74.406   11.450   69.941   14.003   83.415   19.890  169.014   17.728  181.502   23.448 -12.48785 29.39533 
1 1 1    2   23   31 o  181.661   15.887   83.682   12.654   80.462   21.696   85.343   15.578  176.630   26.283  186.693   17.854 -10.06239 31.77361 
1 1 1    2   23   32 o  320.958   19.149  267.144   28.642  287.793   40.467  246.416   40.544  334.784   25.864  307.133   28.246 27.65021 38.29884 
1 1 1    2   23   33 f  240.201   15.193  144.220   17.028  152.414   24.023  135.947   24.141  247.576   20.763  232.827   22.186 14.74919 30.38579 
1 1 1    2   23   34 o   66.411   13.373   11.030   4.6132   15.731   6.4163   5.9995   6.6374   78.789   17.840   54.032   19.927 24.75676 26.74590 
1 1 1    2   23   35 o   68.216   13.743   11.554   4.6130   9.2655   6.1832   14.428   6.9276   61.340   19.321   75.092   19.549 -13.75142 27.48593 
1 1 1    2   23   36 o   61.120   14.590   4.2623   5.9748  -5.9007   7.8399   18.344   9.2283   38.820   18.021   83.421   22.951 -44.60110 29.18032 
1 1 1    2   23   37 o  124.021   16.439   37.685   9.5281   37.685   9.5281   0.0000   0.0000  124.021   16.439  ?   ?       ?      ? 
1 1 1    2   23   38 o  155.401   14.513   57.052   10.123   48.839   12.390   73.544   17.557  140.344   18.890  170.457   22.039 -30.11292 29.02640 
1 1 1    2   23   39 o  189.213   20.028   96.336   17.706   94.340   25.050   98.329   25.031  186.947   28.671  191.480   27.972 -4.532318 40.05568 
1 1 1    2   23   40 o  183.560   21.084   94.029   17.451   79.964   24.701  108.045   24.658  165.832   33.032  201.287   26.212 -35.45528 42.16850 
1 1 1    2   23   41 o  174.536   19.852   83.900   15.619   69.758   21.777   98.883   22.415  155.847   30.990  193.224   24.821 -37.37704 39.70491 
1 1 1    2   23   42 o  108.374   16.559   35.260   7.9432   20.507   13.921   42.381   9.6723   85.728   29.108  131.021   15.796 -45.29233 33.11784 
1 1 1    2   23   43 o   93.269   18.094   24.421   8.1153   23.511   12.102   25.165   10.939   91.147   26.697   95.391   24.430 -4.244751 36.18796 
1 1 1    2   23   44 o   92.821   13.275   22.651   5.7205   34.582   8.3117   11.914   7.8852  118.284   15.036   67.358   21.882 50.92575 26.54981 
1 1 1    2   23   45 o  110.010   16.606   37.689   8.0913   45.999   9.8382   20.319   14.224  136.013   15.477   84.007   29.386 52.00530 33.21296 
1 1 1    2   23   46 o   70.057   16.400   12.294   5.9140   10.232   7.1404   16.797   10.554   62.727   20.845   77.387   25.324 -14.65933 32.79962 
1 1 1    2   23   47 o  116.426   13.226   35.811   6.9170   28.994   9.6947   42.880   9.8720  102.949   20.864  129.903   16.261 -26.95342 26.45247 
1 1 1    2   23   48 o   99.581   15.639   31.542   7.4581   13.736   12.542   41.282   9.2763   71.285   27.155  127.877   15.522 -56.59137 31.27799 
1 1 1    2   23   49 o  104.911   19.194   29.594   9.0641   0.0000   0.0000   29.594   9.0641  ?   ?   104.911   19.194      ?      ? 
1 1 1    2   23   50 o   67.672   16.479   11.579   6.1602   19.612   10.603   7.4869   7.5686   79.882   25.316   55.462   21.102 24.42036 32.95789 
1 1 1    2   23   51 o  147.318   31.181   74.482   20.798   74.482   20.798   0.0000   0.0000  147.318   31.181  ?   ?       ?      ? 
1 1 1    2   23   52 o   53.544   20.560   6.8929   7.2261   6.8929   7.2261   0.0000   0.0000   53.544   20.560  ?   ?       ?      ? 
1 1 1    2   23   53 o   59.000   15.159   10.132   5.9510   14.208   7.2684   1.8430   10.365   68.679   20.831   49.321   22.030 19.35764 30.31861 
1 1 1    2   23   54 o   43.044   13.079   1.1323   5.2677  -9.6173   9.2949   6.2186   6.3937   36.607   17.717   49.480   19.246 -12.87250 26.15892 
1 1 1    2   23   55 o   66.775   14.942   14.987   6.0446   5.3403   9.7471   21.015   7.7052   50.882   22.087   82.669   20.131 -31.78657 29.88478 
1 1 1    2   23   56 o   56.989   15.158   10.160   5.4948   8.8581   8.8115   10.988   7.0288   54.895   22.188   59.083   20.658 -4.187649 30.31626 
1 1 1    2   23   57 o   62.453   14.881   13.021   5.1544   12.358   7.4184   13.640   7.1670   60.806   21.225   64.100   20.864 -3.294067 29.76215 
1 1 1    2   23   58 o   42.784   12.964   2.8029   5.0837   7.1274   6.2897  -5.3446   8.6334   48.924   19.073   36.644   17.565 12.28012 25.92882 
1 1 1    2   24    0 o   57.792   13.305   10.020   4.4982   10.020   4.4982   10.020   4.4982   57.792   18.817   57.792   18.817 -0.000000 0.000000 
1 1 1    2   24    1 o  197.173   12.419   93.082   11.444   93.512   16.188   92.653   16.180  197.639   17.526  196.709   17.600 0.9299011 24.83753 
1 1 1    2   24    2 o  385.454   21.909  374.646   39.280  414.059   55.575  335.301   55.527  407.301   29.196  363.607   32.676 43.69455 43.81896 
1 1 1    2   24    3 o  139.157   13.959   48.951   8.1071   52.194   9.9353   42.488   14.025  148.235   14.341  130.080   23.952 18.15511 27.91724 
1 1 1    2   24    4 o  322.286   20.432  257.493   29.011  254.361   35.544  263.743   50.211  322.776   23.563  321.795   33.387 0.9814758 40.86427 
1 1 1    2   24    5 o  141.642   10.868   48.740   6.9462   63.390   9.8602   34.306   9.7872  163.601   12.896  119.683   17.498 43.91759 21.73659 
1 1 1    2   24    6 o   63.399   12.368   10.516   3.8540   12.769   4.7103   5.9514   6.7037   72.067   14.488   54.730   20.050 17.33669 24.73638 
1 1 1    2   24    7 o  166.699   17.862   70.955   12.969   47.871   18.322   94.131   18.359  135.930   29.674  197.467   19.893 -61.53705 35.72478 
1 1 1    2   24    8 o   62.079   12.096   8.5957   3.5912   5.8626   4.4717   13.561   6.0269   50.387   16.484   73.770   17.706 -23.38281 24.19145 
1 1 1    2   24    9 f  258.432   22.754  170.210   27.434  180.910   38.806  159.520   38.789  267.283   31.066  249.581   33.255 17.70126 45.50798 
1 1 1    2   24   10 o  151.995   14.892   55.041   10.579   0.0000   0.0000   55.041   10.579  ?   ?   151.995   14.892      ?      ? 
1 1 1    2   24   11 o  247.651   18.530  152.184   20.124  151.899   34.920  152.325   24.624  244.920   30.507  250.383   21.043 -5.462540 37.06087 
1 1 1    2   24   12 o   93.334   12.801   19.725   4.9829   26.839   9.4472   16.983   5.8651  103.630   20.232   83.038   15.688 20.59168 25.60202 
1 1 1    2   24   13 o  179.989   11.593   77.842   9.6672   90.525   13.803   65.633   13.543  194.743   15.166  165.235   17.538 29.50798 23.18616 
1 1 1    2   24   14 o  181.037   19.890   95.301   13.891   56.195   24.256  114.387   16.945  143.700   36.150  218.374   16.604 -74.67404 39.78044 
1 1 1    2   24   15 o   71.171   9.9274   11.846   3.2095   15.666   5.0649   9.2836   4.1487   81.161   13.353   61.182   14.694 19.97984 19.85485 
1 1 1    2   24   16 o  113.062   12.161   27.563   5.8919   47.470   10.453   18.292   7.1331  140.679   15.898   85.444   18.406 55.23530 24.32191 
1 1 1    2   24   17 o  265.081   23.998  184.984   29.726  188.239   42.089  181.745   41.989  267.662   33.647  262.500   34.227 5.161377 47.99566 
1 1 1    2   24   18 o  130.902   14.410   44.567   7.8263   36.832   13.469   48.511   9.6164  119.432   24.935  142.373   14.452 -22.94115 28.82076 
1 1 1    2   24   19 o  109.076   13.423   29.929   6.2318   28.105   10.756   30.850   7.6458  104.675   22.645  113.476   14.417 -8.800797 26.84510 
1 1 1    2   24   20 o   94.171   14.226   25.803   5.8629   12.578   10.493   31.807   7.0696   72.898   25.254  115.444   13.103 -42.54584 28.45100 
1 1 1    2   24   21 o  202.754   20.959  109.631   18.311  148.019   26.005   71.887   25.786  244.107   22.795  161.401   35.178 82.70547 41.91827 
1 1 1    2   24   22 o   70.685   14.856   12.312   5.3123   15.181   7.7886   9.8167   7.2642   77.318   21.007   64.052   21.012 13.26617 29.71238 
1 1 1    2   24   23 o  257.026   33.229  174.552   39.915   0.0000   0.0000  174.552   39.915  ?   ?   257.026   33.229      ?      ? 
1 1 1    2   24   24 f  208.021   19.361  110.729   18.786  102.580   26.374  119.123   26.766  199.658   28.265  216.383   26.468 -16.72565 38.72268 
1 1 1    2   24   25 o  111.925   15.713   36.197   7.2385   42.414   8.6548   21.726   13.205  132.971   13.927   90.880   28.172 42.09116 31.42633 
1 1 1    2   24   26 f   41.118   12.351   0.7118   3.8717   0.7372   4.6528   0.6545   6.9812   37.477   15.728   44.759   19.048 -7.282043 24.70211 
1 1 1    2   24   27 o  179.985   12.700   80.826   10.365  101.752   14.606   59.600   14.711  205.071   15.240  154.899   20.321 50.17130 25.40072 
1 1 1    2   24   28 o  222.626   13.663  122.281   14.211  118.314   20.017  126.313   20.178  218.831   19.572  226.420   19.069 -7.588593 27.32581 
1 1 1    2   24   29 o   84.693   14.008   15.050   5.3623   8.4750   6.3952   30.618   9.8407   59.511   19.725  109.875   19.896 -50.36380 28.01666 
1 1 1    2   24   30 o  214.055   13.455  112.937   13.433  120.955   19.025  104.966   18.969  222.029   18.335  206.080   19.696 15.94901 26.90917 
1 1 1    2   24   31 o  227.911   14.640  129.987   15.359  105.501   21.701  154.565   21.742  204.892   22.663  250.930   18.539 -46.03745 29.28004 
1 1 1    2   24   32 o  132.374   11.224   42.425   6.9350   45.412   9.9377   39.589   9.6825  137.017   15.519  127.732   16.220 9.284904 22.44840 
1 1 1    2   24   33 o   50.234   14.519   2.8524   5.4596   4.7066   7.5700   0.8425   7.8815   53.079   20.857   47.388   20.204 5.691662 29.03836 
1 1 1    2   24   34 o  217.933   16.173  114.083   15.726   97.885   19.103  148.142   27.700  197.105   20.738  238.761   24.824 -41.65668 32.34675 
1 1 1    2   24   35 o  200.274   21.217  117.379   16.787  133.459   20.514   84.780   29.208  231.947   18.924  168.601   37.980 63.34601 42.43330 
1 1 1    2   24   36 o  153.598   14.501   56.312   9.9824   49.574   12.218   69.840   17.312  141.458   18.481  165.738   22.350 -24.27954 29.00163 
1 1 1    2   24   37 o  121.768   18.838   40.635   10.438   45.269   14.813   36.066   14.710  129.664   25.354  113.872   27.868 15.79140 37.67506 
1 1 1    2   24   38 o  164.821   20.673   77.758   14.966   44.925   20.997  111.668   21.338  121.261   35.063  208.382   21.911 -87.12074 41.34616 
1 1 1    2   24   39 o  203.284   20.258  117.733   16.873  102.196   29.307  125.437   20.636  184.296   35.312  222.273   19.865 -37.97737 40.51621 
1 1 1    2   24   40 o  119.980   17.241   45.766   9.0908   20.595   15.709   58.438   11.147   86.004   30.806  153.955   15.492 -67.95083 34.48189 
1 1 1    2   24   41 f  106.648   26.956   32.334   13.442   32.334   13.442   0.0000   0.0000  106.648   26.956  ?   ?       ?      ? 
1 1 1    2   24   42 o   95.183   13.527   23.801   5.8853   19.233   8.4436   28.118   8.2076   84.350   21.389  106.017   16.565 -21.66703 27.05320 
1 1 1    2   24   43 o  116.810   13.654   36.862   6.8775   21.703   9.7450   51.906   9.7078   88.519   23.254  145.100   14.316 -56.58106 27.30761 
1 1 1    2   24   44 o   69.497   17.433   12.763   7.0508   12.450   10.930   12.986   9.2275   69.411   25.575   69.583   23.698 -0.1715775 34.86680 
1 1 1    2   24   45 o   72.976   16.508   15.393   6.3040   11.263   11.817   17.037   7.4532   67.137   26.150   78.815   20.155 -11.67778 33.01618 
1 1 1    2   24   46 o  115.992   16.076   37.957   8.0084   35.074   13.785   39.425   9.8390  107.926   27.308  124.057   16.970 -16.13124 32.15163 
1 1 1    2   24   47 o   92.913   16.041   23.381   6.6775   29.276   11.304   20.222   8.2757  100.506   24.327   85.320   20.916 15.18639 32.08234 
1 1 1    2   24   48 o   76.294   16.177   17.959   6.4445   11.592   11.385   20.962   7.8175   65.758   25.653   86.831   19.714 -21.07364 32.35326 
1 1 1    2   24   49 o  103.208   27.263   34.766   13.346   0.0000   0.0000   34.766   13.346  ?   ?   103.208   27.263      ?      ? 
1 1 1    2   24   50 o   41.092   17.577   1.3703   6.0004   1.3703   6.0004   0.0000   0.0000   41.092   17.577  ?   ?       ?      ? 
1 1 1    2   24   51 o   28.978   13.905  -6.3194   5.4417  -6.3194   5.4417   0.0000   0.0000   28.978   13.905  ?   ?       ?      ? 
1 1 1    2   24   52 o   86.583   19.359   27.358   8.7726   27.283   12.624   27.427   12.200   86.000   27.663   87.167   27.088 -1.167038 38.71701 
1 1 1    2   24   53 o   73.595   16.854   19.124   6.6819   15.921   12.480   20.411   7.9114   66.198   26.529   80.993   20.794 -14.79515 33.70744 
1 1 1    2   24   54 o   51.540   14.839   6.5762   5.4223   4.6479   6.7624   10.048   9.0744   46.151   19.132   56.930   22.687 -10.77942 29.67742 
1 1 1    2   24   55 o   56.636   14.122   9.5936   5.0824   3.9249   7.3385   14.819   7.0457   45.431   19.436   67.841   20.494 -22.41007 28.24452 
1 1 1    2   24   56 f   41.142   13.095   1.4426   5.2493   2.6209   6.6281  -0.5401   8.5978   41.416   18.092   40.868   18.936 0.5483665 26.18998 
1 1 1    2   25    0 o  304.635   27.905  242.233   53.586  242.233   53.586  242.233   53.586  304.635   39.464  304.635   39.464 -0.000000 0.000000 
1 1 1    2   25    1 o  122.855   14.664   37.251   8.2295   38.859   11.530   35.580   11.750  126.675   19.476  119.035   21.928 7.640602 29.32872 
1 1 1    2   25    2 o  124.539   15.046   38.934   8.3639   49.164   11.867   28.835   11.790  142.899   17.769  106.180   24.287 36.71825 30.09293 
1 1 1    2   25    3 o  156.561   15.816   60.223   11.512   53.516   16.292   66.910   16.268  147.403   23.650  165.720   21.005 -18.31697 31.63136 
1 1 1    2   25    4 o  275.903   24.631  199.102   31.676  214.065   44.794  184.136   44.799  287.510   33.337  264.296   36.269 23.21460 49.26259 
1 1 1    2   25    5 o  394.639   38.415  469.943   70.367  519.444   99.559  420.531   99.469  421.403   50.552  367.875   57.856 53.52792 76.82977 
1 1 1    2   25    6 o  120.465   15.045   36.222   8.1814   43.663   11.651   28.985   11.491  134.399   18.549  106.530   23.693 27.86939 30.09015 
1 1 1    2   25    7 o  160.513   16.725   72.886   10.475   43.914   17.873   88.045   12.929  128.942   30.192  192.085   14.402 -63.14294 33.45090 
1 1 1    2   25    8 o  295.488   26.624  261.099   27.627  181.652   55.041  287.856   31.942  247.037   49.400  343.940   19.872 -96.90292 53.24748 
1 1 1    2   25    9 o  312.108   21.756  247.669   27.329  256.138   54.587  244.837   31.570  308.177   37.901  316.038   21.374 -7.860565 43.51233 
1 1 1    2   25   10 o  145.880   11.506   49.535   6.9274   54.779   13.713   47.738   8.0271  149.973   19.564  141.788   12.114 8.185440 23.01109 
1 1 1    2   25   11 o  259.904   18.870  174.348   19.376  162.440   38.724  178.325   22.378  248.342   33.365  271.467   17.639 -23.12541 37.74039 
1 1 1    2   25   12 o  166.435   16.734   68.984   12.983   75.224   18.547   62.988   18.180  174.192   22.783  158.678   24.515 15.51413 33.46721 
1 1 1    2   25   13 o  290.815   24.109  234.042   29.653  197.593   51.313  252.317   36.334  264.403   41.526  317.226   24.508 -52.82285 48.21852 
1 1 1    2   25   14 o   91.093   15.336   21.322   6.4317   20.329   9.3788   22.203   8.8370   88.849   22.549   93.338   20.791 -4.489273 30.67116 
1 1 1    2   25   15 o  225.600   22.236  145.854   19.738  103.059   34.231  167.170   24.159  189.990   39.826  261.210   19.790 -71.22072 44.47161 
1 1 1    2   25   16 o  224.553   16.513  121.695   16.491  138.428   28.702  113.448   20.150  233.895   26.257  215.210   20.034 18.68477 33.02687 
1 1 1    2   25   17 o  168.064   17.037   70.653   13.276   81.130   18.923   60.499   18.629  181.109   22.357  155.018   25.714 26.09070 34.07403 
1 1 1    2   25   18 o  146.352   13.574   52.618   8.6885   53.445   10.638   50.960   15.059  149.211   15.255  143.493   22.456 5.717743 27.14711 
1 1 1    2   25   19 o  260.439   19.168  173.200   21.861  174.411   26.804  170.792   37.781  265.736   21.583  255.142   31.684 10.59402 38.33683 
1 1 1    2   25   20 o  245.003   18.549  150.881   20.061  146.851   24.562  158.955   34.766  243.403   21.592  246.603   30.166 -3.200302 37.09723 
1 1 1    2   25   21 o  130.726   14.713   45.071   7.9785   49.414   9.8249   36.660   13.672  143.297   14.671  118.154   25.507 25.14318 29.42508 
1 1 1    2   25   22 o  194.971   12.865   93.406   11.665   83.174   16.487  103.664   16.507  183.734   19.200  206.209   17.129 -22.47475 25.73006 
1 1 1    2   25   23 o  125.095   10.449   37.785   6.1074   38.755   8.6569   36.824   8.6176  126.738   14.616  123.453   14.936 3.284279 20.89748 
1 1 1    2   25   24 o  201.839   13.164  100.185   12.416  101.763   17.538   98.598   17.580  203.529   18.438  200.149   18.794 3.380371 26.32822 
1 1 1    2   25   25 o  315.697   23.420  262.781   32.799  245.616   40.108  297.433   56.986  306.932   27.960  324.462   37.581 -17.52939 46.84097 
1 1 1    2   25   26 o   77.078   11.868   15.044   4.2807   19.901   5.9897   9.9747   6.1199   90.956   14.091   63.199   19.102 27.75769 23.73668 
1 1 1    2   25   27 o  127.338   17.320   48.928   9.0490   25.875   16.152   59.473   10.924   97.705   31.276  156.970   14.892 -59.26451 34.64013 
1 1 1    2   25   28 o  114.285   11.815   32.644   5.9873   24.660   8.4914   40.538   8.4434   98.677   19.103  129.892   13.909 -31.21507 23.63008 
1 1 1    2   25   29 o  139.781   14.787   49.333   8.8190   49.812   10.832   48.393   15.189  143.271   16.177  136.291   24.758 6.980286 29.57485 
1 1 1    2   25   30 f   82.894   15.357   17.610   5.7663   18.647   10.079   17.105   7.0306   84.075   24.288   81.713   18.801 2.362251 30.71472 
1 1 1    2   25   31 o  166.012   17.159   67.848   13.313   67.848   13.313   0.0000   0.0000  166.012   17.159  ?   ?       ?      ? 
1 1 1    2   25   32 o  229.664   20.514  132.236   22.018  132.236   22.018   0.0000   0.0000  229.664   20.514  ?   ?       ?      ? 
1 1 1    2   25   33 o   54.070   14.298   1.2059   5.2898  -5.1896   6.5151   13.578   9.0618   35.252   16.386   72.887   23.437 -37.63521 28.59666 
1 1 1    2   25   34 o  114.337   24.874   35.162   12.914   35.162   12.914   0.0000   0.0000  114.337   24.874  ?   ?       ?      ? 
1 1 1    2   25   35 f  101.731   18.901   28.715   9.1303   31.454   12.935   25.995   12.890  106.897   26.115   96.566   27.330 10.33067 37.80102 
1 1 1    2   25   36 f   93.867   16.355   24.181   6.8722   21.767   12.048   25.346   8.3669   88.587   26.807   99.147   18.744 -10.56024 32.71013 
1 1 1    2   25   37 o  137.095   16.655   50.910   9.5693   46.710   16.695   52.964   11.678  128.360   28.565  145.831   17.135 -17.47134 33.31043 
1 1 1    2   25   38 o  136.585   16.629   51.981   9.5366   57.021   11.836   42.652   16.102  151.295   16.739  121.874   28.738 29.42095 33.25733 
1 1 1    2   25   39 o  124.438   14.926   37.506   8.1385   51.809   14.430   30.834   9.8555  140.691   21.946  108.185   20.236 32.50622 29.85214 
1 1 1    2   25   40 f  128.408   12.356   41.612   7.3440   48.869   10.569   34.839   10.212  139.925   16.163  116.891   18.693 23.03377 24.71167 
1 1 1    2   25   41 o  127.473   13.037   42.184   7.4652   35.150   10.666   48.939   10.452  114.998   20.603  139.948   15.980 -24.94949 26.07391 
1 1 1    2   25   42 o   43.562   13.062   1.4098   4.6084   1.2659   6.3434   1.5706   6.7064   42.829   18.190   44.295   18.752 -1.466427 26.12453 
1 1 1    2   25   43 o   59.104   15.223   8.6779   5.9411   12.701   7.0205  -1.4728   11.151   68.119   20.430   50.090   22.573 18.02856 30.44530 
1 1 1    2   25   44 o  122.978   15.996   40.408   8.3816   45.742   15.005   37.989   10.105  124.701   26.560  121.254   17.832 3.446548 31.99113 
1 1 1    2   25   45 o  139.407   18.366   59.016   10.589   48.794   18.667   63.865   12.858  121.667   32.292  157.146   17.507 -35.47883 36.73236 
1 1 1    2   25   46 o   80.753   16.149   19.141   6.2298   18.839   10.505   19.306   7.7372   78.611   25.229   82.894   20.165 -4.282249 32.29761 
1 1 1    2   25   47 o  110.189   27.355   39.413   14.022   0.0000   0.0000   39.413   14.022  ?   ?   110.189   27.355      ?      ? 
1 1 1    2   25   48 o   76.626   17.403   17.974   7.1765   21.737   10.253   14.359   10.048   83.961   24.566   69.291   24.657 14.66989 34.80628 
1 1 1    2   25   49 o   74.630   14.928   14.337   5.7152   7.0232   7.1154   27.635   9.5943   52.925   20.382   96.335   21.817 -43.40939 29.85620 
1 1 1    2   25   50 o   96.987   16.736   27.299   7.2737   43.034   12.835   19.854   8.8283  115.301   24.570   78.673   22.732 36.62788 33.47300 
1 1 1    2   25   51 o   57.201   15.230   10.000   5.6883   6.0383   9.8707   11.970   6.9603   52.286   22.459   62.116   20.577 -9.830444 30.46035 
1 1 1    2   25   52 f   55.270   15.450   9.0500   5.7716   9.1598   9.7367   8.9905   7.1665   55.783   23.027   54.756   20.604 1.027378 30.89952 
1 1 1    2   25   53 o   52.083   20.211   7.8035   7.0386   7.8035   7.0386   0.0000   0.0000   52.083   20.211  ?   ?       ?      ? 
1 1 1    2   25   54 o   51.086   13.757   7.1541   4.9027   12.613   7.0357   2.0015   6.8355   61.138   20.694   41.034   18.133 20.10431 27.51437 
1 1 1    2   26    0 o  152.694   11.308   57.077   11.126   57.077   11.126   57.077   11.126  152.694   15.992  152.694   15.992 -0.000000 0.000000 
1 1 1    2   26    1 o   74.450   10.406   13.669   3.5379   11.486   5.0771   15.729   4.9327   67.704   16.252   81.197   12.999 -13.49294 20.81105 
1 1 1    2   26    2 f  134.640   14.171   46.500   7.9353   40.879   13.827   49.260   9.6899  125.941   24.373  143.339   14.465 -17.39791 28.34219 
1 1 1    2   26    3 f  147.265   10.708   52.199   7.3561   49.028   10.459   55.304   10.348  142.683   15.684  151.847   14.582 -9.164017 21.41595 
1 1 1    2   26    4 o  387.858   36.621  471.539   57.960  425.839  100.339  494.424   71.004  348.030   64.050  427.687   35.524 -79.65689 73.24111 
1 1 1    2   26    5 o  165.438   14.082   68.078   10.211   63.969   17.461   70.213   12.588  160.146   23.330  170.731   15.777 -10.58498 28.16397 
1 1 1    2   26    6 o  124.757   14.860   37.358   8.6641   0.0000   0.0000   37.358   8.6641  ?   ?   124.757   14.860      ?      ? 
1 1 1    2   26    7 o  211.678   18.708  109.154   18.507   0.0000   0.0000  109.154   18.507  ?   ?   211.678   18.708      ?      ? 
1 1 1    2   26    8 o  233.392   16.544  128.176   17.337  163.535   30.018  110.478   21.237  255.082   25.180  211.701   21.465 43.38087 33.08780 
1 1 1    2   26    9 o  247.346   31.882  160.046   36.854   0.0000   0.0000  160.046   36.854  ?   ?   247.346   31.882      ?      ? 
1 1 1    2   26   10 o  157.964   13.332   61.390   9.2699   58.583   15.809   62.861   11.444  154.060   21.957  161.868   15.127 -7.807755 26.66337 
1 1 1    2   26   11 o  322.995   22.429  257.669   32.511  329.061   56.330  222.010   39.810  351.862   34.255  294.127   28.961 57.73523 44.85720 
1 1 1    2   26   12 o  151.301   13.069   53.245   8.7833   63.595   15.483   48.334   10.665  160.955   20.583  141.646   16.111 19.30965 26.13893 
1 1 1    2   26   13 o  181.579   11.746   80.048   9.8502   65.759   13.813   94.834   14.051  164.499   17.967  198.659   15.134 -34.15923 23.49142 
1 1 1    2   26   14 o   79.188   13.161   15.990   4.7091   16.558   6.0236   15.098   7.5518   81.434   16.395   76.942   20.594 4.492119 26.32301 
1 1 1    2   26   15 o  252.799   15.515  159.130   18.314  166.553   25.914  151.722   25.887  259.067   21.403  246.530   22.468 12.53632 31.03077 
1 1 1    2   26   16 o   85.780   11.414   18.328   4.4061   19.486   6.3352   17.243   6.1321   88.537   15.895   83.022   16.386 5.514160 22.82866 
1 1 1    2   26   17 o   50.906   11.574   5.8606   3.2993   8.9271   4.6889   2.8533   4.6434   59.663   16.337   42.150   16.400 17.51215 23.14834 
1 1 1    2   26   18 o  165.844   12.393   68.711   9.2453   89.039   13.060   48.293   13.089  192.137   14.545  139.551   20.070 52.58604 24.78589 
1 1 1    2   26   19 o   63.191   13.726   8.9240   4.2599   6.6802   5.1658   13.693   7.5311   53.269   17.731   73.113   20.958 -19.84476 27.45256 
1 1 1    2   26   20 o   40.691   11.359   2.3909   3.1958   1.8579   4.5293   2.9194   4.5100   39.458   15.922   41.924   16.204 -2.466110 22.71729 
1 1 1    2   26   21 o   99.761   12.435   23.156   5.4891   19.449   6.7398   30.458   9.4596   88.037   16.996  111.485   18.156 -23.44756 24.86976 
1 1 1    2   26   22 o  217.329   17.317  119.217   16.593  123.098   28.677  117.264   20.344  217.009   28.276  217.649   20.000 -0.6400146 34.63411 
1 1 1    2   26   23 o  133.604   11.001   43.307   6.8426   47.500   9.6740   39.109   9.6798  140.324   14.751  126.883   16.324 13.44082 22.00147 
1 1 1    2   26   24 o   53.972   12.345   6.5703   4.0737   11.103   5.2319  -0.4086   6.4922   66.313   16.848   41.630   18.049 24.68309 24.69001 
1 1 1    2   26   25 o  163.397   12.062   66.284   8.8771   86.204   12.593   46.609   12.515  189.303   14.234  137.492   19.477 51.81110 24.12427 
1 1 1    2   26   26 o  144.473   11.089   50.643   7.4830   48.528   10.542   52.790   10.623  141.338   15.960  147.608   15.399 -6.269989 22.17795 
1 1 1    2   26   27 o   53.929   13.642   5.9523   4.5385   9.4706   6.4702   2.5446   6.3678   61.780   19.797   46.078   18.775 15.70153 27.28425 
1 1 1    2   26   28 o   73.530   12.969   14.827   4.7676   19.395   5.9788   6.8503   7.9008   89.464   14.300   57.596   21.641 31.86811 25.93866 
1 1 1    2   26   29 o  170.435   13.348   67.273   10.052   58.386   12.082   87.265   18.121  154.406   16.743  186.464   20.794 -32.05905 26.69656 
1 1 1    2   26   30 o  214.660   21.870  126.658   20.989  101.287   29.363  153.166   30.014  187.848   34.726  241.473   26.595 -53.62457 43.74023 
1 1 1    2   26   31 o  211.242   21.611  123.042   21.334  123.856   30.144  122.225   30.198  212.102   30.410  210.382   30.713 1.719910 43.22120 
1 1 1    2   26   32 o   83.383   17.411   18.438   7.8073   27.170   10.950   9.4095   11.135  100.455   23.705   66.312   25.508 34.14286 34.82238 
1 1 1    2   26   33 o   56.205   15.208   2.2138   6.6035   13.734   9.3681  -9.1629   9.3098   72.555   23.865   39.855   18.858 32.69968 30.41647 
1 1 1    2   26   34 o   79.690   15.558   18.449   6.3363   8.4161   11.251   23.109   7.6680   64.558   25.408   94.821   17.961 -30.26298 31.11563 
1 1 1    2   26   35 o  217.327   14.722  121.528   14.923  112.924   21.021  130.271   21.190  208.874   21.534  225.779   20.082 -16.90405 29.44448 
1 1 1    2   26   36 o   61.132   15.138   5.2340   5.5676   18.044   9.9007  -0.6903   6.7330   81.012   24.254   41.253   18.122 39.75869 30.27631 
1 1 1    2   26   37 o   70.838   16.059   13.018   5.9110   15.672   9.4745   11.326   7.5636   75.804   23.921   65.871   21.433 9.932785 32.11828 
1 1 1    2   26   38 o  166.647   13.092   71.223   10.085   60.413   14.314   81.879   14.212  152.812   20.043  180.481   16.849 -27.66838 26.18411 
1 1 1    2   26   39 o   45.789   14.149  -0.2916   5.4367  -1.8732   6.6710   2.8367   9.3819   39.197   17.579   52.380   22.177 -13.18308 28.29869 
1 1 1    2   26   40 o  115.894   13.248   35.218   6.8926   27.954   9.5539   43.102   9.9535  101.332   20.869  130.456   16.325 -29.12489 26.49602 
1 1 1    2   26   41 o   67.980   14.788   12.340   5.2999   8.4161   7.2226   16.917   7.8013   57.952   20.874   78.007   20.954 -20.05488 29.57686 
1 1 1    2   26   42 o  129.142   12.714   43.158   7.6736   43.221   10.852   43.095   10.852  129.247   17.966  129.038   17.995 0.2089081 25.42823 
1 1 1    2   26   43 o   83.566   16.641   18.456   6.5713   27.984   11.392   13.705   8.0445   97.302   24.937   69.830   22.043 27.47273 33.28284 
1 1 1    2   26   44 o  102.017   27.693   33.433   13.542   0.0000   0.0000   33.433   13.542  ?   ?   102.017   27.693      ?      ? 
1 1 1    2   26   45 o  102.582   26.099   33.482   12.543   0.0000   0.0000   33.482   12.543  ?   ?   102.582   26.099      ?      ? 
1 1 1    2   26   46 o  111.482   18.973   39.775   9.9805   30.014   14.100   49.577   14.129   94.088   29.103  128.875   24.351 -34.78671 37.94624 
1 1 1    2   26   47 o   64.648   16.526   12.076   7.0128   4.2164   10.324   18.810   9.5559   52.405   22.740   76.890   23.987 -24.48477 33.05259 
1 1 1    2   26   48 o  108.446   16.209   34.989   7.7704   28.482   9.7335   46.421   12.902   95.710   22.192  121.182   23.631 -25.47218 32.41770 
1 1 1    2   26   49 o   62.560   24.561   12.984   10.489   12.984   10.489   0.0000   0.0000   62.560   24.561  ?   ?       ?      ? 
1 1 1    2   26   50 o   65.866   17.815   15.306   7.6304   19.552   11.602   12.069   10.129   71.452   26.346   60.280   23.986 11.17205 35.62956 
1 1 1    2   26   51 f   85.378   13.460   22.306   5.7114   34.480   8.2881   11.296   7.8816  111.607   15.890   59.150   21.729 52.45738 26.91942 
1 1 1    2   26   52 o   36.827   12.256  -2.7504   5.1892  -3.5425   8.8866  -2.3406   6.3922   38.917   18.417   34.737   16.175 4.179321 24.51145 
1 1 1    2   27    0 o   36.370   15.016   3.8958   6.0013   3.8958   6.0013   3.8958   6.0013   36.370   21.235   36.370   21.235 -0.000000 0.000000 
1 1 1    2   27    1 o  177.562   24.553   79.534   20.375   0.0000   0.0000   79.534   20.375  ?   ?   177.562   24.553      ?      ? 
1 1 1    2   27    2 o  197.494   26.541   99.665   24.497   0.0000   0.0000   99.665   24.497  ?   ?   197.494   26.541      ?      ? 
1 1 1    2   27    3 o  135.030   14.224   43.759   8.9761   0.0000   0.0000   43.759   8.9761  ?   ?   135.030   14.224      ?      ? 
1 1 1    2   27    4 f  125.331   14.783   37.788   8.6592   0.0000   0.0000   37.788   8.6592  ?   ?   125.331   14.783      ?      ? 
1 1 1    2   27    5 o  222.651   21.004  130.121   21.720  115.215   30.723  145.016   30.711  208.326   31.556  236.976   27.730 -28.65024 42.00879 
1 1 1    2   27    6 o  254.106   18.431  159.329   20.877  185.207   36.253  146.488   25.537  266.263   29.133  241.949   22.584 24.31389 36.86159 
1 1 1    2   27    7 o  304.156   24.837  264.049   28.847  226.987   57.614  276.449   33.325  274.987   44.830  333.324   21.392 -58.33685 49.67301 
1 1 1    2   27    8 o  196.661   11.529   94.544   10.343   90.398   16.286   97.347   13.389  192.154   18.135  201.167   14.241 -9.012604 23.05878 
1 1 1    2   27    9 f   92.722   11.224   22.063   4.5347   12.749   6.4112   31.387   6.4148   70.759   18.991  114.686   11.968 -43.92723 22.44732 
1 1 1    2   27   10 o  275.592   18.469  188.276   20.776  211.663   41.553  180.481   23.990  280.501   31.697  270.684   18.964 9.817230 36.93719 
1 1 1    2   27   11 o  342.471   17.018  290.451   26.859  349.586   42.496  251.114   34.659  370.157   24.565  314.785   23.559 55.37204 34.03649 
1 1 1    2   27   12 o  234.953   18.919  150.792   17.098  126.254   34.081  159.046   19.766  214.298   34.029  255.609   16.546 -41.31154 37.83846 
1 1 1    2   27   13 o  259.625   17.453  172.961   18.050  169.079   36.076  174.258   20.847  251.723   30.666  267.526   16.674 -15.80275 34.90591 
1 1 1    2   27   14 o  266.473   16.233  179.411   20.092  201.339   28.478  157.679   28.350  283.956   21.459  248.991   24.363 34.96544 32.46621 
1 1 1    2   27   15 o   77.729   11.422   15.133   4.0123   16.067   5.7889   14.269   5.5663   80.119   16.020   75.339   16.284 4.779587 22.84309 
1 1 1    2   27   16 o  318.127   19.528  263.727   28.868  234.275   40.792  293.275   40.858  298.314   29.259  337.940   25.870 -39.62595 39.05576 
1 1 1    2   27   17 o  247.106   15.909  164.009   16.859  113.090   26.646  197.998   21.770  208.719   27.316  285.493   16.316 -76.77383 31.81836 
1 1 1    2   27   18 o  139.940   10.943   47.392   7.1526   47.264   10.278   47.512   9.9602  139.672   15.746  140.208   15.200 -0.5354767 21.88543 
1 1 1    2   27   19 o  214.533   22.064  124.259   21.319  104.949   30.226  143.377   30.075  193.969   34.612  235.097   27.373 -41.12787 44.12778 
1 1 1    2   27   20 o  291.027   24.394  236.236   30.422  246.695   37.273  215.367   52.652  310.421   25.692  271.634   41.475 38.78610 48.78830 
1 1 1    2   27   21 o  181.143   15.289   81.834   12.158   81.573   14.882   82.356   21.082  182.770   17.423  179.516   25.129 3.254730 30.57801 
1 1 1    2   27   22 o   85.647   14.021   19.893   5.4227   22.782   6.6189   13.995   9.4567   97.093   14.587   74.201   23.951 22.89250 28.04278 
1 1 1    2   27   23 o  169.200   13.158   65.290   9.9500   51.717   12.110   93.487   17.455  144.693   17.909  193.708   19.281 -49.01445 26.31500 
1 1 1    2   27   24 o  111.736   16.782   33.102   8.4959   30.641   11.975   35.597   12.055  107.062   24.467  116.410   22.975 -9.347885 33.56334 
1 1 1    2   27   25 o   56.281   14.214   6.6810   4.8134   4.0247   6.5511   9.7972   7.0957   49.437   19.410   63.126   20.770 -13.68941 28.42785 
1 1 1    2   27   26 o  261.838   25.823  197.183   31.534  209.141   44.595  185.224   44.596  271.612   35.131  252.065   37.857 19.54648 51.64619 
1 1 1    2   27   27 o  102.094   16.920   27.009   7.8787   22.030   10.236   34.246   12.341   90.753   23.830  113.434   24.026 -22.68081 33.83949 
1 1 1    2   27   28 o  107.603   16.293   33.508   7.7187   21.366   13.315   39.654   9.4727   88.122   28.417  127.084   15.949 -38.96204 32.58665 
1 1 1    2   27   29 o  238.100   25.248  178.690   23.534  129.170   40.649  203.657   28.863  194.795   45.477  281.405   21.947 -86.61003 50.49560 
1 1 1    2   27   30 o  241.470   28.248  204.564   26.266  118.705   45.378  247.824   32.210  173.487   51.920  309.453   22.272 -135.9660 56.49574 
1 1 1    2   27   31 o   65.685   16.039   10.701   5.8108   10.522   9.9183   10.795   7.1702   66.471   24.382   64.898   20.845 1.572624 32.07838 
1 1 1    2   27   32 o   99.587   13.539   26.124   6.0958   15.709   8.5147   37.074   8.7309   76.491   22.390  122.683   15.228 -46.19099 27.07718 
1 1 1    2   27   33 o  199.212   14.022  101.688   13.053  103.309   18.449  100.064   18.471  200.966   19.643  197.458   20.016 3.508301 28.04411 
1 1 1    2   27   34 o  139.340   12.605   49.127   8.1810   44.772   11.556   53.501   11.583  132.650   18.641  146.029   16.972 -13.37910 25.21005 
1 1 1    2   27   35 o  102.133   16.343   29.083   7.3445   30.607   8.8882   25.803   13.041  110.177   17.262   94.089   27.756 16.08758 32.68591 
1 1 1    2   27   36 o   89.480   16.105   22.853   6.6652   25.034   8.2536   18.762   11.301   97.626   18.772   81.333   26.175 16.29256 32.21004 
1 1 1    2   27   37 o  173.663   13.111   77.951   10.584   69.751   14.999   86.085   14.939  163.564   19.621  183.761   17.394 -20.19708 26.22153 
1 1 1    2   27   38 o   35.415   11.540  -3.9217   4.4939  -1.4550   6.0250  -7.0148   6.7468   37.442   16.755   33.388   15.872 4.053814 23.07901 
1 1 1    2   27   39 o   69.485   16.234   13.465   5.9949   14.283   7.2445   11.687   10.677   72.026   20.526   66.945   25.157 5.080055 32.46840 
1 1 1    2   27   40 o   90.603   16.571   24.376   6.9405   20.271   12.168   26.355   8.4499   82.042   27.208   99.163   18.923 -17.12122 33.14199 
1 1 1    2   27   41 o   58.567   15.017   8.8957   5.5176   3.8376   9.3159   11.629   6.8480   52.295   22.117   64.839   20.319 -12.54337 30.03387 
1 1 1    2   27   42 o  148.873   19.906   78.406   12.411   48.413   21.074   94.335   15.357  109.436   35.784  188.309   17.450 -78.87267 39.81192 
1 1 1    2   27   43 o   91.377   27.549   27.649   12.741   27.649   12.741   0.0000   0.0000   91.377   27.549  ?   ?       ?      ? 
1 1 1    2   27   44 o  114.269   17.679   34.825   9.4415   34.825   9.4415   0.0000   0.0000  114.269   17.679  ?   ?       ?      ? 
1 1 1    2   27   45 o   79.048   16.314   20.256   6.4658   22.080   8.0986   17.050   10.738   86.493   20.371   71.603   25.488 14.88965 32.62843 
1 1 1    2   27   46 o  101.600   13.934   30.324   6.3742   31.385   9.2019   29.345   8.8380  103.262   19.788   99.938   19.623 3.324097 27.86806 
1 1 1    2   27   47 o   88.315   14.631   24.055   5.9355   23.026   8.5246   25.023   8.2693   85.627   21.370   91.003   19.990 -5.376549 29.26203 
1 1 1    2   27   48 o   59.806   14.474   11.039   4.9805   14.373   7.2110   7.9969   6.8871   66.977   20.828   52.634   20.105 14.34285 28.94820 
1 1 1    2   27   49 o   48.955   14.309   5.6262   5.0491   7.4662   8.8991   4.7527   6.1316   52.543   21.878   45.368   18.448 7.174911 28.61771 
1 1 1    2   27   50 o   32.893   10.815  -3.4893   4.1915   0.8881   5.7927  -8.2999   6.0726   37.446   16.613   28.341   13.851 9.105167 21.62933 
1 1 1    2   28    0 o  123.203   18.525   41.310   13.260   41.310   13.260   41.310   13.260  123.203   26.198  123.203   26.198 -0.000000 0.000000 
1 1 1    2   28    1 o  264.641   35.612  194.387   44.045  194.387   44.045   0.0000   0.0000  264.641   35.612  ?   ?       ?      ? 
1 1 1    2   28    2 o  148.295   14.936   53.085   10.351   53.085   10.351   0.0000   0.0000  148.295   14.936  ?   ?       ?      ? 
1 1 1    2   28    3 o  240.634   20.435  143.666   22.982  143.666   22.982   0.0000   0.0000  240.634   20.435  ?   ?       ?      ? 
1 1 1    2   28    4 o  321.375   23.970  273.869   34.222  255.174   41.897  311.345   59.321  311.961   28.737  330.790   38.372 -18.82858 47.93964 
1 1 1    2   28    5 o   66.869   12.826   11.724   4.0648   13.158   4.9858   8.8814   7.0196   72.554   15.191   61.183   20.670 11.37076 25.65206 
1 1 1    2   28    6 o  138.622   12.756   46.263   7.9135   44.345   9.7866   49.885   13.450  135.385   15.468  141.858   20.287 -6.473633 25.51128 
1 1 1    2   28    7 f   36.344   14.934   1.1843   4.0715   1.1843   4.0715   0.0000   0.0000   36.344   14.934  ?   ?       ?      ? 
1 1 1    2   28    8 o  216.459   16.894  116.876   16.189  112.878   19.841  124.841   28.006  213.613   19.874  219.305   27.325 -5.692719 33.78763 
1 1 1    2   28    9 o  276.727   16.736  194.421   21.504  170.656   30.392  218.244   30.430  258.342   25.172  295.111   22.063 -36.76871 33.47274 
1 1 1    2   28   10 o  206.280   13.243  104.834   12.717  115.142   17.992   94.545   17.976  216.957   17.745  195.603   19.664 21.35466 26.48664 
1 1 1    2   28   11 o  231.383   14.010  132.626   15.086  146.480   21.390  118.914   21.279  244.094   18.750  218.672   20.822 25.42200 28.01994 
1 1 1    2   28   12 o  229.856   14.470  131.585   15.429  148.688   21.796  114.407   21.844  245.827   18.972  213.884   21.853 31.94327 28.93932 
1 1 1    2   28   13 o   68.629   11.363   11.851   3.5802   11.678   5.0872   12.021   5.0395   68.102   16.217   69.156   15.922 -1.054062 22.72630 
1 1 1    2   28   14 o   90.390   14.668   19.687   6.1963   0.0000   0.0000   19.687   6.1963  ?   ?    90.390   14.668      ?      ? 
1 1 1    2   28   15 o  185.248   15.753   89.028   12.509   77.354   21.647   94.880   15.327  172.987   26.776  197.509   16.604 -24.52150 31.50656 
1 1 1    2   28   16 o  103.408   12.675   25.709   5.6968   29.661   9.8962   23.751   6.9669  107.734   20.402   99.081   15.046 8.653587 25.34958 
1 1 1    2   28   17 o   81.192   13.135   15.974   4.6708   20.201   8.1323   13.894   5.7057   88.409   20.133   73.976   16.877 14.43296 26.27083 
1 1 1    2   28   18 o   78.289   12.041   18.999   4.9720  -0.0002   8.7206   28.149   6.0520   48.209   20.909  108.370   11.949 -60.16172 24.08278 
1 1 1    2   28   19 f  199.619   16.203  100.833   14.225  105.355   24.761   98.605   17.379  200.007   26.490  199.232   18.665 0.7752228 32.40560 
1 1 1    2   28   20 o   73.261   12.978   14.597   4.6027   8.2353   7.8693   17.905   5.6746   60.459   21.788   86.062   14.108 -25.60306 25.95659 
1 1 1    2   28   21 o  103.112   15.911   27.738   7.4403   25.940   10.151   29.826   10.937   99.492   22.374  106.733   22.628 -7.241440 31.82211 
1 1 1    2   28   22 o   98.371   14.036   26.789   6.0477   17.308   9.9087   32.418   7.6346   80.976   24.268  115.765   14.111 -34.78855 28.07255 
1 1 1    2   28   23 o  156.004   15.798   65.997   10.140   53.230   17.312   72.664   12.511  139.578   27.518  172.430   15.525 -32.85210 31.59528 
1 1 1    2   28   24 o   76.273   21.611   15.331   8.0550   15.331   8.0550   0.0000   0.0000   76.273   21.611  ?   ?       ?      ? 
1 1 1    2   28   25 o   98.060   16.344   26.581   7.7533   34.551   10.369   16.474   11.677  117.296   18.915   78.823   26.660 38.47293 32.68820 
1 1 1    2   28   26 o   83.344   16.278   18.796   6.3614   17.601   11.043   19.390   7.7824   80.654   25.865   86.033   19.770 -5.378677 32.55573 
1 1 1    2   28   27 o   42.919   12.760   1.1588   4.4038   2.9469   5.9845  -0.9531   6.5038   45.503   18.323   40.335   17.763 5.168182 25.51952 
1 1 1    2   28   28 o   69.481   13.918   12.489   4.7741   9.8768   6.5297   15.488   6.9977   62.242   19.882   76.721   19.481 -14.47920 27.83503 
1 1 1    2   28   29 o  171.185   14.732   70.538   11.283   94.496   19.773   58.970   13.740  190.155   22.250  152.215   19.314 37.94031 29.46368 
1 1 1    2   28   30 o   85.106   16.050   17.629   6.3928   28.841   11.060   12.003   7.8340  102.571   23.568   67.641   21.795 34.93018 32.10084 
1 1 1    2   28   31 o  141.016   12.155   50.055   7.9950   53.526   11.329   46.612   11.284  146.240   16.577  135.792   17.781 10.44756 24.30928 
1 1 1    2   28   32 o  147.048   12.277   54.599   8.4353   54.822   11.833   54.370   12.028  147.474   17.169  146.623   17.553 0.8510132 24.55344 
1 1 1    2   28   33 o  159.296   12.767   64.905   9.4478   71.406   13.240   58.160   13.486  168.324   16.830  150.269   19.203 18.05467 25.53464 
1 1 1    2   28   34 o   69.393   14.566   12.990   5.1252   10.590   7.2034   15.451   7.2938   63.391   20.930   75.395   20.264 -12.00488 29.13276 
1 1 1    2   28   35 o   77.700   13.462   16.506   5.4163   7.3945   7.8379   24.834   7.4932   56.576   21.487   98.824   16.224 -42.24819 26.92403 
1 1 1    2   28   36 o  134.902   12.548   47.046   7.9005   49.476   11.162   44.606   11.185  138.779   17.209  131.025   18.265 7.754013 25.09517 
1 1 1    2   28   37 o   86.108   14.195   20.212   5.6653   25.389   8.2358   15.562   7.8054   97.456   18.763   74.760   21.306 22.69632 28.38996 
1 1 1    2   28   38 o   80.399   18.057   19.506   7.8026   15.190   11.445   23.253   10.665   72.403   26.247   88.395   24.805 -15.99258 36.11378 
1 1 1    2   28   39 o   51.341   14.762   5.1532   5.4651   4.8215   8.8034   5.3613   6.9711   52.299   21.767   50.383   19.946 1.916466 29.52361 
1 1 1    2   28   40 o   56.860   15.843   7.2248   6.6792   12.716   8.8609  -0.0007   10.164   65.695   23.178   48.024   21.605 17.67068 31.68569 
1 1 1    2   28   41 o   49.542   15.137   2.3925   6.3757   0.4968   8.4739   4.8658   9.6791   45.589   20.165   53.495   22.580 -7.905876 30.27385 
1 1 1    2   28   42 o   77.394   19.040   19.894   8.4464   22.188   12.281   17.834   11.635   80.958   27.341   73.829   26.505 7.128983 38.07902 
1 1 1    2   28   43 o   74.467   17.943   18.570   7.9159   11.190   11.000   26.497   11.400   61.171   24.768   87.763   25.969 -26.59283 35.88652 
1 1 1    2   28   44 o   52.769   14.541   7.2016   5.6947   11.355   6.9738  -1.1103   9.8656   60.952   20.603   44.586   20.526 16.36535 29.08240 
1 1 1    2   28   45 f   46.448   14.212   3.2509   5.2222   2.0269   6.2197   6.1756   9.6141   41.046   17.730   51.850   22.216 -10.80382 28.42372 
1 1 1    2   28   46 o   51.569   13.574   6.6448   4.7656   12.387   6.8587   1.2846   6.6264   62.555   20.412   40.583   17.897 21.97249 27.14741 
1 1 1    2   28   47 o   46.106   13.193   4.0888   5.1704  -8.6718   9.6473   9.2312   6.1243   37.196   18.013   55.016   19.280 -17.82006 26.38576 
1 1 1    2   28   48 o   47.786   13.253   5.5673   4.5914   10.727   6.7076   1.0185   6.2982   56.986   20.159   38.587   17.208 18.39880 26.50534 
1 1 1    2   29    0 o  215.395   14.015  114.169   19.564  114.169   19.564  114.169   19.564  215.395   19.821  215.395   19.821 -0.000000 0.000000 
1 1 1    2   29    1 o   75.954   17.067   14.572   5.9108   14.572   5.9108   0.0000   0.0000   75.954   17.067  ?   ?       ?      ? 
1 1 1    2   29    2 o  156.671   17.009   69.435   10.523   80.672   12.869   46.772   18.277  182.749   15.068  130.593   30.499 52.15608 34.01782 
1 1 1    2   29    3 o   44.592   12.653   1.9383   3.8823   0.2946   4.7817   5.1176   6.6504   37.058   15.767   52.125   19.793 -15.06684 25.30550 
1 1 1    2   29    4 o  195.935   15.205   92.096   13.291   83.606   16.233  109.365   23.152  184.274   18.849  207.597   23.863 -23.32300 30.40932 
1 1 1    2   29    5 o   43.642   10.860   2.7166   3.0912  -1.2880   4.1601   7.6532   4.6190   31.688   14.067   55.596   16.548 -23.90785 21.71948 
1 1 1    2   29    6 o  113.791   12.006   30.416   6.1467   36.160   10.509   27.430   7.5782  121.162   18.559  106.420   15.237 14.74162 24.01273 
1 1 1    2   29    7 f   77.328   11.605   15.040   4.0716   12.326   5.6264   18.025   5.8996   69.627   17.353   85.030   15.414 -15.40248 23.20983 
1 1 1    2   29    8 o  111.094   10.265   29.743   5.2975   25.536   7.2642   34.521   7.7422  102.566   15.155  119.622   13.849 -17.05594 20.52921 
1 1 1    2   29    9 o  232.007   13.239  132.596   14.105  138.570   22.277  128.600   18.222  235.182   20.268  228.832   17.039 6.349579 26.47882 
1 1 1    2   29   10 o  127.513   10.384   41.359   5.8583   31.210   9.0986   48.546   7.6567  112.578   17.293  142.448   11.501 -29.87021 20.76854 
1 1 1    2   29   11 o  179.786   12.095   79.780   10.106   89.063   14.300   70.518   14.284  190.816   16.035  168.756   18.111 22.06070 24.18941 
1 1 1    2   29   12 o   82.690   12.506   22.116   4.7213   4.7187   9.0783   28.565   5.5277   55.962   22.556  109.418   10.810 -53.45623 25.01234 
1 1 1    2   29   13 o  154.687   9.7589   57.573   6.9495   58.968   10.849   56.602   9.0500  155.860   14.894  153.514   12.614 2.345642 19.51780 
1 1 1    2   29   14 o  242.655   16.883  149.581   16.521  153.440   32.856  148.276   19.113  239.162   29.396  246.149   16.615 -6.986954 33.76612 
1 1 1    2   29   15 o   53.103   15.821   6.9865   4.2203   0.0000   0.0000   6.9865   4.2203  ?   ?    53.103   15.821      ?      ? 
1 1 1    2   29   16 o   58.642   11.854   5.8236   3.3225   15.865   6.6450   2.4767   3.8365   78.636   18.407   38.647   14.943 39.98923 23.70858 
1 1 1    2   29   17 o  102.511   13.080   25.815   5.8174   28.757   10.080   24.345   7.1236  105.084   21.255   99.938   15.252 5.145653 26.16069 
1 1 1    2   29   18 o  257.818   13.836  168.889   16.164  157.012   25.584  176.780   20.854  247.718   22.099  267.917   16.655 -20.19923 27.67175 
1 1 1    2   29   19 o   99.714   11.883   25.630   5.2303   18.507   7.5745   32.122   7.2310   84.268   19.603  115.160   13.435 -30.89208 23.76506 
1 1 1    2   29   20 o  108.756   10.639   28.966   5.4025   28.009   7.7074   29.890   7.5751  106.860   15.433  110.651   14.648 -3.791092 21.27780 
1 1 1    2   29   21 o   53.985   12.513   7.1181   3.6479   6.6698   5.2346   7.5414   5.0864   52.835   17.850   55.135   17.541 -2.299900 25.02603 
1 1 1    2   29   22 o   60.022   11.484   8.8258   3.9160   15.784   5.3680   0.9098   5.7254   79.093   15.073   40.951   17.330 38.14194 22.96791 
1 1 1    2   29   23 o  200.232   13.624  101.817   12.651   88.054   17.844  115.725   17.938  185.490   20.584  214.973   17.854 -29.48384 27.24840 
1 1 1    2   29   24 o  162.417   14.184   63.770   10.327   80.841   17.937   55.305   12.631  176.590   21.734  148.243   18.231 28.34673 28.36771 
1 1 1    2   29   25 o   51.504   14.137   4.0787   4.4977   8.4385   8.4330   2.3455   5.3171   60.634   22.441   42.374   17.198 18.26051 28.27315 
1 1 1    2   29   26 o   40.510   12.520  -0.5750   4.5548   1.8565   5.7192  -4.7917   7.5316   42.479   17.601   38.540   17.811 3.938637 25.04026 
1 1 1    2   29   27 o  107.463   12.173   29.412   5.9621   31.432   8.3627   27.323   8.5025  112.368   15.924  102.558   18.416 9.810364 24.34607 
1 1 1    2   29   28 o  117.723   12.966   36.192   6.7265   26.200   9.4937   46.265   9.5319   98.706   21.212  136.739   14.916 -38.03342 25.93110 
1 1 1    2   29   29 o  191.182   22.055  108.302   19.272  102.476   27.087  114.274   27.425  183.543   32.780  198.822   29.515 -15.27869 44.10964 
1 1 1    2   29   30 o   48.994   13.460   4.1421   4.5110   1.5408   6.1567   7.1571   6.6284   42.858   18.045   55.129   19.976 -12.27152 26.91980 
1 1 1    2   29   31 o  108.643   18.906   34.961   9.6532   27.991   13.515   42.220   13.793   95.845   28.251  121.441   25.130 -25.59607 37.81104 
1 1 1    2   29   32 o  110.804   12.732   32.235   6.4183   34.147   8.9042   30.167   9.2598  115.676   16.471  105.932   19.420 9.744064 25.46367 
1 1 1    2   29   33 o  153.016   12.454   60.541   8.6895   45.666   12.049   76.662   12.543  131.646   19.584  174.385   15.391 -42.73965 24.90818 
1 1 1    2   29   34 o   96.777   15.815   25.916   6.7612   27.774   11.476   24.929   8.3675   97.380   25.068   96.174   19.287 1.205429 31.62923 
1 1 1    2   29   35 o   73.721   14.721   12.532   6.0348   27.764   9.6667   2.8047   7.7251   99.512   21.420   47.931   20.199 51.58154 29.44138 
1 1 1    2   29   36 o   85.638   16.319   21.589   6.4758   22.463   11.053   21.133   7.9908   84.753   25.684   86.522   20.139 -1.769844 32.63792 
1 1 1    2   29   37 o   89.671   18.984   26.700   8.7125   22.788   12.933   29.951   11.789   82.025   28.055   97.316   25.583 -15.29059 37.96842 
1 1 1    2   29   38 o  183.883   26.310  127.427   21.832  135.037   30.987  119.925   30.765  192.314   35.794  175.453   38.570 16.86099 52.61996 
1 1 1    2   29   39 o   37.612   12.351  -3.6606   4.9204  -4.4036   6.0780  -2.2476   8.3816   33.280   15.586   41.945   19.164 -8.665493 24.70211 
1 1 1    2   29   40 o   97.746   16.376   27.250   7.1318   20.367   8.7072   41.281   12.431   80.871   22.311  114.621   23.977 -33.74995 32.75203 
1 1 1    2   29   41 o   94.598   14.435   26.843   6.1944   27.413   8.7010   26.257   8.8208   96.059   20.030   93.138   20.791 2.920471 28.87011 
1 1 1    2   29   42 o  101.689   14.238   31.077   6.5255   29.278   9.1051   32.977   9.3571   98.149   20.510  105.229   19.752 -7.079384 28.47503 
1 1 1    2   29   43 o   50.724   13.907   6.9580   4.7771   4.8906   6.7630   9.0167   6.7487   46.626   19.213   54.823   20.112 -8.196899 27.81445 
1 1 1    2   29   44 o  119.822   16.386   44.516   8.4927   54.077   14.942   39.954   10.322  123.139   26.731  116.504   18.957 6.635033 32.77116 
1 1 1    2   29   45 o   54.755   15.335   8.9608   5.4839   7.7899   6.5706   11.649   9.9552   51.279   19.625   58.231   23.568 -6.952625 30.66905 
1 1 1    2   29   46 o   35.086   11.900  -9.6236   5.8961 -20.9583   8.3279   1.7679   8.3487   27.316   13.786   42.855   19.402 -15.53944 23.80094 
1 1 1    2   30    0 o  268.958   16.876  180.975   29.456  180.975   29.456  180.975   29.456  268.958   23.866  268.958   23.866 -0.000000 0.000000 
1 1 1    2   30    1 o   65.576   12.524   10.897   3.9890   13.518   5.6982   8.3775   5.5860   72.900   17.032   58.252   18.366 14.64798 25.04807 
1 1 1    2   30    2 o  163.540   11.573   65.489   8.8262   61.172   12.548   69.717   12.417  157.911   17.003  169.169   15.706 -11.25848 23.14671 
1 1 1    2   30    3 o   88.015   11.100   19.082   4.4584   21.389   6.4927   17.024   6.1329   93.912   14.793   82.119   16.552 11.79348 22.19918 
1 1 1    2   30    4 o  243.910   23.936  175.503   23.333  193.819   28.550  138.664   40.490  276.488   22.094  211.332   42.469 65.15610 47.87242 
1 1 1    2   30    5 o   55.184   13.381   7.2449   4.3283   9.6216   5.2285   2.0691   7.7157   61.638   17.393   48.730   20.338 12.90839 26.76107 
1 1 1    2   30    6 o  190.816   19.352   96.585   17.184  105.632   24.300   87.535   24.305  200.965   25.873  180.667   28.785 20.29814 38.70407 
1 1 1    2   30    7 o  287.815   24.809  237.483   30.772  241.025   37.621  230.323   53.487  302.252   26.633  273.379   41.864 28.87329 49.61755 
1 1 1    2   30    8 o  191.976   12.564   91.177   11.270   89.011   15.776   93.435   16.106  189.628   17.802  194.324   17.734 -4.695694 25.12771 
1 1 1    2   30    9 o   56.977   10.748   7.6968   3.7163   15.053   4.9347  -1.9414   5.6485   77.714   14.106   36.241   16.220 41.47292 21.49572 
1 1 1    2   30   10 o   67.578   10.993   11.801   3.3925   9.8982   5.1671   13.243   4.4977   62.283   17.189   72.872   13.710 -10.58929 21.98684 
1 1 1    2   30   11 o   97.836   9.7854   23.343   4.4036   22.510   6.7805   23.951   5.7912   95.968   15.118   99.704   12.428 -3.736435 19.57080 
1 1 1    2   30   12 o  143.722   9.9576   51.020   6.4956   46.342   10.194   54.218   8.4281  137.323   15.884  150.122   12.013 -12.79828 19.91516 
1 1 1    2   30   13 f   66.692   9.8659   12.671   3.3712   1.6329   5.2523   20.404   4.3963   40.932   16.906   92.453   10.175 -51.52051 19.73176 
1 1 1    2   30   14 o  103.786   9.5215   25.556   4.5641   31.498   7.0515   21.273   5.9875  114.001   13.235   93.570   13.692 20.43060 19.04309 
1 1 1    2   30   15 o   72.227   11.692   13.337   3.8612   14.394   5.5962   12.376   5.3344   75.027   16.416   69.426   16.654 5.601006 23.38494 
1 1 1    2   30   16 o  136.679   10.623   48.042   6.3715   54.893   8.1664   37.385   10.186  151.065   11.567  122.293   17.822 28.77210 21.24660 
1 1 1    2   30   17 o   52.924   14.491   5.3660   5.0344   4.6673   8.1192   5.8024   6.4168   53.421   21.402   52.427   19.541 0.9936447 28.98105 
1 1 1    2   30   18 o  135.290   12.518   42.684   7.5896   57.914   13.244   35.237   9.2610  151.490   18.707  119.089   16.640 32.40074 25.03621 
1 1 1    2   30   19 o  221.801   22.928  149.924   20.266  165.165   24.781  119.151   35.214  253.150   20.946  190.452   40.792 62.69803 45.85550 
1 1 1    2   30   20 o  109.661   11.158   29.820   5.7089   30.424   7.9087   29.162   8.2493  111.031   15.241  108.291   16.300 2.739792 22.31540 
1 1 1    2   30   21 o   55.554   12.103   6.8440   3.3522   11.373   5.8801   4.6635   4.0802   65.955   18.387   45.154   15.742 20.80170 24.20502 
1 1 1    2   30   22 o   71.667   11.943   12.926   3.8256   15.101   6.3514   11.688   4.7926   75.882   18.153   67.453   15.525 8.429375 23.88645 
1 1 1    2   30   23 o  144.497   11.963   52.836   7.8861   66.294   11.287   40.001   11.023  163.842   14.740  125.152   18.846 38.68990 23.92570 
1 1 1    2   30   24 o  127.898   11.306   40.901   6.7122   46.675   9.5886   35.351   9.3993  137.284   14.945  118.511   16.970 18.77274 22.61292 
1 1 1    2   30   25 o   55.122   13.088   7.3111   4.1358   4.2516   5.8839   10.299   5.8144   47.558   18.473   62.687   18.545 -15.12923 26.17589 
1 1 1    2   30   26 o   52.170   13.024   6.3162   4.0573   4.0014   5.8145   8.5129   5.6643   46.754   18.307   57.585   18.531 -10.83109 26.04870 
1 1 1    2   30   27 o   85.648   13.481   19.824   5.4346   25.513   7.5869   13.829   7.7884  100.408   16.168   70.888   21.577 29.51965 26.96211 
1 1 1    2   30   28 f  119.132   12.743   37.362   6.8424   42.435   9.5644   32.045   9.7930  129.396   15.816  108.869   19.984 20.52690 25.48511 
1 1 1    2   30   29 o   63.109   14.900   7.3297   5.0865   2.5847   6.0013   19.433   9.5847   43.995   18.111   82.222   23.666 -38.22670 29.80024 
1 1 1    2   30   30 o  154.945   14.847   61.016   10.355   77.653   17.790   52.492   12.735  168.516   22.589  141.375   19.274 27.14095 29.69484 
1 1 1    2   30   31 f  201.416   21.954  130.403   17.877  108.320   30.625  141.819   22.018  173.010   38.829  229.823   20.500 -56.81355 43.90800 
1 1 1    2   30   32 o  107.306   15.607   35.138   7.3807   23.666   12.173   41.806   9.2811   86.790   27.073  127.823   15.536 -41.03246 31.21434 
1 1 1    2   30   33 o   52.376   22.228   4.3600   9.4611   0.0000   0.0000   4.3600   9.4611  ?   ?    52.376   22.228      ?      ? 
1 1 1    2   30   34 o   79.734   26.358   20.658   11.423   0.0000   0.0000   20.658   11.423  ?   ?    79.734   26.358      ?      ? 
1 1 1    2   30   35 o  172.244   20.467   97.209   14.447  104.575   17.784   82.915   24.774  195.766   19.438  148.721   36.025 47.04503 40.93436 
1 1 1    2   30   36 o   96.854   15.893   28.388   6.9601   30.033   8.5860   25.234   11.886  106.024   17.328   87.684   26.648 18.34010 31.78607 
1 1 1    2   30   37 o   45.649   13.728   3.0099   5.2071   5.4772   6.3070  -2.2728   9.2287   48.384   19.030   42.914   19.791 5.470409 27.45540 
1 1 1    2   30   38 o   85.935   14.452   22.318   5.7255   23.567   8.0616   21.047   8.1332   89.027   19.878   82.842   20.984 6.184586 28.90437 
1 1 1    2   30   39 o   37.673   12.106  -1.1431   4.6702  -2.4616   6.7467   0.0700   6.4712   36.441   16.846   38.904   17.390 -2.463573 24.21148 
1 1 1    2   30   40 o   92.725   14.594   26.620   6.1620   26.480   8.7198   26.759   8.7091   92.393   20.707   93.058   20.572 -0.6645355 29.18869 
1 1 1    2   30   41 o   72.083   15.043   16.718   5.3990   15.546   7.2864   18.146   8.0399   69.701   20.793   74.466   21.745 -4.764961 30.08623 
1 1 1    2   30   42 o   31.990   10.941 -11.6556   4.7161   1.0753   7.6326 -19.5177   5.9981   41.928   18.803   22.053   11.193 19.87468 21.88230 
1 1 1    2   30   43 o   63.861   15.806   12.023   5.7582   6.2449   6.9626   24.528   10.242   47.832   19.577   79.889   24.819 -32.05679 31.61114 
1 1 1    2   31    0 o  193.299   20.755  100.248   24.704  100.248   24.704  100.248   24.704  193.299   29.352  193.299   29.352 -0.000000 0.000000 
1 1 1    2   31    1 o  206.155   16.198  106.120   14.913  126.806   25.902   95.863   18.239  218.125   25.409  194.186   20.097 23.93948 32.39610 
1 1 1    2   31    2 o  101.286   11.450   25.798   5.2496   22.630   7.5114   28.824   7.3398   93.958   17.756  108.614   14.460 -14.65583 22.89908 
1 1 1    2   31    3 f  286.307   18.606  221.053   24.710  193.893   34.937  248.239   34.953  266.009   28.103  306.605   24.393 -40.59570 37.21285 
1 1 1    2   31    4 o  142.610   14.191   51.598   8.9053   51.392   10.934   52.004   15.348  144.194   16.225  141.027   23.287 3.167023 28.38203 
1 1 1    2   31    5 o  109.843   10.684   29.612   5.4841   30.081   7.7796   29.149   7.7320  110.734   15.033  108.953   15.185 1.780960 21.36719 
1 1 1    2   31    6 o   39.937   11.538   1.8178   3.4128   1.8363   4.8274   1.7994   4.8256   39.979   16.325   39.895   16.310 0.8420563E-01 23.07645 
1 1 1    2   31    7 o  152.563   15.836   57.435   11.291   57.435   11.291   0.0000   0.0000  152.563   15.836  ?   ?       ?      ? 
1 1 1    2   31    8 o  168.100   17.032   70.346   13.381   70.346   13.381   0.0000   0.0000  168.100   17.032  ?   ?       ?      ? 
1 1 1    2   31    9 o   90.253   16.823   20.791   6.8347   20.791   6.8347   0.0000   0.0000   90.253   16.823  ?   ?       ?      ? 
1 1 1    2   31   10 o   36.220   11.710  -2.3724   4.0766  -0.3301   4.6445  -9.2249   8.5073   35.033   15.227   37.407   17.794 -2.374229 23.42016 
1 1 1    2   31   11 o  152.112   12.223   59.084   8.3855   74.560   11.739   42.960   11.982  174.439   14.400  129.785   19.755 44.65431 24.44603 
1 1 1    2   31   12 o  119.197   11.109   35.129   6.1460   30.084   8.5297   40.576   8.8635  109.914   16.605  128.481   14.761 -18.56753 22.21755 
1 1 1    2   31   13 o  195.488   12.548   96.861   11.211   74.395   15.708  120.192   16.007  170.559   19.706  220.416   15.539 -49.85670 25.09556 
1 1 1    2   31   14 o   97.114   13.771   26.026   5.7558   29.277   7.1101   19.844   9.8040  109.344   13.914   84.885   23.769 24.45878 27.54216 
1 1 1    2   31   15 o  129.959   14.340   43.940   7.8568   43.949   9.5482   43.921   13.826  133.245   15.333  126.673   24.238 6.572388 28.68060 
1 1 1    2   31   16 o  108.371   9.7330   28.108   4.8254   37.503   7.4011   21.162   6.3639  124.115   12.759   92.626   14.701 31.48946 19.46595 
1 1 1    2   31   17 o  144.212   10.040   51.142   6.6744   51.249   10.309   51.065   8.7579  143.735   15.346  144.689   12.951 -0.9537811 20.08095 
1 1 1    2   31   18 o  149.208   10.539   53.985   7.2604   62.530   11.402   48.159   9.4160  158.669   15.377  139.747   14.417 18.92117 21.07840 
1 1 1    2   31   19 o  107.981   10.414   29.382   5.1068   25.955   7.9081   31.833   6.6883  101.646   16.647  114.316   12.519 -12.67009 20.82897 
1 1 1    2   31   20 o  117.424   12.505   35.910   6.4708   45.552   9.1570   26.292   9.1454  135.742   14.434   99.107   20.424 36.63534 25.00988 
1 1 1    2   31   21 o  124.025   10.224   37.365   5.8376   42.611   9.2717   33.920   7.5138  130.730   15.175  117.320   13.704 13.41080 20.44726 
1 1 1    2   31   22 o  143.815   10.558   51.244   6.9500   54.077   11.104   49.419   8.9113  146.184   16.253  141.447   13.480 4.736679 21.11609 
1 1 1    2   31   23 o  117.506   10.212   34.332   5.4866   35.405   8.7450   33.635   7.0459  118.244   15.825  116.767   12.911 1.477287 20.42373 
1 1 1    2   31   24 o   40.181   11.440   0.5036   3.6824  -4.4984   5.0949   5.9746   5.3285   30.241   14.197   50.120   17.942 -19.87880 22.88002 
1 1 1    2   31   25 o  110.659   16.310   38.288   7.7421   23.708   13.819   44.958   9.3465   87.486   28.995  133.831   14.943 -46.34483 32.61951 
1 1 1    2   31   26 o   69.070   16.529   13.198   6.3465   12.966   8.8631   13.442   9.0919   68.562   23.226   69.579   23.524 -1.016769 33.05843 
1 1 1    2   31   27 o   96.951   14.158   22.406   6.1910   40.217   10.849   13.804   7.5392  123.599   18.781   70.303   21.191 53.29568 28.31555 
1 1 1    2   31   28 f   61.518   14.918   10.494   5.4032   5.3197   9.2291   13.192   6.6648   54.191   22.399   68.845   19.711 -14.65395 29.83643 
1 1 1    2   31   29 o   75.033   16.986   17.010   6.7074   15.910   9.0057   18.381   10.052   72.849   23.358   77.218   24.668 -4.368965 33.97199 
1 1 1    2   31   30 o   48.575   19.863   4.4280   7.1592   4.4280   7.1592   0.0000   0.0000   48.575   19.863  ?   ?       ?      ? 
1 1 1    2   31   31 f   61.081   13.736   10.521   5.3486   16.595   6.5762  -1.3479   9.1930   77.258   18.465   44.904   20.341 32.35363 27.47216 
1 1 1    2   31   32 o  167.931   15.885   76.860   11.958   67.068   14.654   96.375   20.687  155.804   20.125  180.058   24.584 -24.25446 31.77064 
1 1 1    2   31   33 o   72.864   15.689   14.843   5.6470   11.149   6.9450   22.049   9.7008   61.939   20.556   83.789   23.708 -21.84967 31.37885 
1 1 1    2   31   34 o  152.804   13.407   66.185   9.4658   55.894   13.231   76.975   13.548  138.420   20.453  167.187   17.339 -28.76697 26.81344 
1 1 1    2   31   35 o   57.565   15.395   9.5605   5.4054   9.1997   6.4765   10.389   9.8132   56.125   19.814   59.004   23.567 -2.879078 30.78997 
1 1 1    2   31   36 o   57.332   14.147   9.8979   4.6675   10.474   6.5532   9.3048   6.6496   58.726   19.971   55.938   20.042 2.788792 28.29350 
1 1 1    2   31   37 f   87.436   16.532   25.069   6.6605   23.447   8.2244   28.160   11.353   86.814   20.584   88.059   25.876 -1.244576 33.06459 
1 1 1    2   31   38 o   53.451   13.651   8.0917   4.5856   11.865   6.5103   4.3771   6.4600   61.650   19.869   45.253   18.725 16.39697 27.30206 
1 1 1    2   31   39 o   61.321   14.397   12.045   4.8292   13.005   6.8585   11.101   6.8008   63.595   20.383   59.048   20.339 4.546791 28.79446 
1 1 1    2   31   40 o   48.741   13.387   6.4386   4.5152   10.022   6.5559   3.2049   6.2278   55.610   19.903   41.872   17.909 13.73824 26.77369 
1 1 1    2   32    0 o   34.779   15.571   1.7742   7.7066   1.7742   7.7066   1.7742   7.7066   34.779   22.021   34.779   22.021 -0.000000 0.000000 
1 1 1    2   32    1 o  162.211   18.818   73.128   13.809   84.079   19.730   62.612   19.334  177.271   23.814  147.150   29.145 30.12033 37.63678 
1 1 1    2   32    2 o  186.378   20.595  106.206   15.251  121.491   18.762   76.430   26.186  218.778   18.350  153.978   36.876 64.79953 41.18939 
1 1 1    2   32    3 o  126.144   17.105   43.598   9.8187   49.226   13.663   37.588   14.120  137.368   21.282  114.919   26.785 22.44980 34.21067 
1 1 1    2   32    4 o   72.975   14.806   14.267   5.1086   14.570   6.1570   13.595   9.1524   74.586   17.893   71.363   23.594 3.222755 29.61128 
1 1 1    2   32    5 o   60.118   13.954   7.1378   4.5101   3.2975   5.4537   15.447   8.0218   44.633   17.650   75.604   21.617 -30.97095 27.90779 
1 1 1    2   32    6 o  195.341   16.035   96.451   13.872   86.997   16.812  116.618   24.555  184.007   19.550  206.675   25.422 -22.66805 32.06964 
1 1 1    2   32    7 o  179.200   16.463   85.317   12.731   84.884   15.411   86.246   22.592  182.959   18.023  175.441   27.554 7.518661 32.92519 
1 1 1    2   32    8 o   80.804   17.209   16.965   6.2996   16.965   6.2996   0.0000   0.0000   80.804   17.209  ?   ?       ?      ? 
1 1 1    2   32    9 o  105.940   14.388   27.765   6.4056   25.192   7.5646   34.287   12.042  100.411   16.120  111.469   23.837 -11.05843 28.77568 
1 1 1    2   32   10 o  111.375   13.795   28.725   6.5476   23.439   7.6864   42.704   12.500   94.883   17.992  127.868   20.918 -32.98465 27.59094 
1 1 1    2   32   11 o  112.414   15.092   32.688   6.9663   31.500   8.1776   35.832   13.301  112.467   15.558  112.362   25.865 0.1045837 30.18397 
1 1 1    2   32   12 o  138.438   11.464   48.731   7.2126   60.704   10.173   36.627   10.228  157.070   13.858  119.806   18.267 37.26465 22.92864 
1 1 1    2   32   13 o   87.906   12.157   19.647   4.8799   15.505   6.5891   24.679   7.2625   76.415   18.621   99.396   15.634 -22.98064 24.31379 
1 1 1    2   32   14 o  153.346   12.101   59.893   8.6236   63.777   11.898   55.594   12.517  159.385   15.972  147.307   18.182 12.07800 24.20146 
1 1 1    2   32   15 o   54.768   17.559   7.6689   5.0897   0.0000   0.0000   7.6689   5.0897  ?   ?    54.768   17.559      ?      ? 
1 1 1    2   32   16 o  190.067   15.370   90.873   13.653   0.0000   0.0000   90.873   13.653  ?   ?   190.067   15.370      ?      ? 
1 1 1    2   32   17 o  121.222   13.283   36.373   7.5250   0.0000   0.0000   36.373   7.5250  ?   ?   121.222   13.283      ?      ? 
1 1 1    2   32   18 o  129.824   12.618   39.834   6.8038   52.712   13.739   35.650   7.8315  140.062   20.989  119.586   14.013 20.47544 25.23698 
1 1 1    2   32   19 o   51.067   13.894   5.1545   4.5748   7.5493   7.4234   3.6880   5.8090   56.395   21.019   45.740   18.176 10.65542 27.78761 
1 1 1    2   32   20 o  120.117   16.627   44.988   8.3253   28.615   14.667   52.772   10.112   95.223   29.719  145.012   14.921 -49.78899 33.25439 
1 1 1    2   32   21 f  117.151   13.652   33.177   6.9953   50.056   12.259   25.027   8.5181  138.156   18.987   96.147   19.621 42.00945 27.30354 
1 1 1    2   32   22 o  156.412   15.335   65.672   10.554   70.326   18.351   63.372   12.901  156.686   25.060  156.137   17.680 0.5485229 30.66922 
1 1 1    2   32   23 o  117.959   16.940   46.707   8.6282   24.468   15.281   57.114   10.454   85.878   30.423  150.039   14.909 -64.16077 33.87968 
1 1 1    2   32   24 o  126.449   16.470   50.291   8.5233   35.129   14.832   57.766   10.415  102.540   29.418  150.358   14.821 -47.81772 32.94064 
1 1 1    2   32   25 o  118.031   17.879   43.038   9.8040   53.104   13.956   33.229   13.776  136.346   21.901   99.715   28.265 36.63185 35.75739 
1 1 1    2   32   26 o   47.295   17.759   5.2340   5.3186   5.2340   5.3186   0.0000   0.0000   47.295   17.759  ?   ?       ?      ? 
1 1 1    2   32   27 o  151.859   18.038   61.704   12.802   61.704   12.802   0.0000   0.0000  151.859   18.038  ?   ?       ?      ? 
1 1 1    2   32   28 o   60.364   14.675   9.7180   4.6148   9.3297   5.3600   10.830   9.0723   58.340   17.926   62.388   23.239 -4.047920 29.35003 
1 1 1    2   32   29 o   45.552   13.214   3.9403   4.2837   5.2591   4.8845  -0.4530   8.9152   46.432   17.099   44.672   20.152 1.760006 26.42875 
1 1 1    2   32   30 o   73.115   14.125   12.939   4.7737   7.9020   5.6079   26.191   9.0965   53.272   18.462   92.957   21.384 -39.68538 28.25091 
1 1 1    2   32   31 o   63.585   13.051   12.105   4.2003   14.074   5.5441   9.4519   6.4352   70.355   17.042   56.815   19.772 13.53984 26.10268 
1 1 1    2   32   32 o   74.016   13.103   15.802   4.4778   13.700   5.8274   18.832   6.9970   68.405   17.989   79.626   19.057 -11.22132 26.20585 
1 1 1    2   32   33 o   45.569   13.332   4.1397   4.5786   6.1323   7.1197   2.7345   5.9790   49.406   19.953   41.732   17.688 7.673439 26.66478 
1 1 1    2   32   34 o   53.615   13.018   7.1713   4.3617   1.6175   5.8187   14.294   6.5896   39.383   17.080   67.848   19.650 -28.46494 26.03581 
1 1 1    2   32   35 o  114.915   12.968   38.301   6.7494   32.725   9.2760   44.574   9.8392  103.870   19.832  125.959   16.714 -22.08839 25.93581 
1 1 1    2   32   36 o   50.985   15.007   6.9039   5.6536   7.6311   10.062   6.5685   6.8343   52.851   22.688   49.118   19.650 3.733837 30.01495 
1 1 1    2   32   37 o   85.538   12.853   23.400   5.5709   9.5504   7.7811   37.966   7.9797   53.998   21.168  117.079   14.584 -63.08077 25.70565 
1 1 1    2   33    0 f   43.139   15.240   6.8769   5.2983   6.8769   5.2983   6.8769   5.2983   43.139   21.553   43.139   21.553 -0.000000 0.000000 
1 1 1    2   33    1 o   54.830   14.156   6.6383   4.3998   9.2115   8.0785   5.5532   5.2462   60.605   22.039   49.054   17.772 11.55120 28.31214 
1 1 1    2   33    2 o   86.687   14.806   21.103   5.7445   18.156   10.470   22.372   6.8711   79.186   25.163   94.189   15.609 -15.00227 29.61127 
1 1 1    2   33    3 o   47.824   12.601   4.4395   4.2879  -4.4671   7.7536   8.3635   5.1465   39.018   18.045   56.630   17.593 -17.61166 25.20210 
1 1 1    2   33    4 o  120.077   13.618   34.590   7.1275   51.547   12.710   26.811   8.6085  140.068   19.416  100.087   19.101 39.98138 27.23641 
1 1 1    2   33    5 o  105.853   17.232   32.383   8.4582   40.422   12.079   24.649   11.848  120.871   22.200   90.834   26.361 30.03738 34.46356 
1 1 1    2   33    6 o   60.150   14.753   8.4909   5.1349   13.789   8.0929   4.9206   6.6434   70.411   22.092   49.889   19.559 20.52222 29.50652 
1 1 1    2   33    7 o  187.586   22.537  127.257   16.622   64.335   28.299  160.399   20.538  125.978   41.480  249.194   17.635 -123.2157 45.07307 
1 1 1    2   33    8 o  134.744   18.662   53.227   11.477   58.848   15.960   47.208   16.516  145.660   23.445  123.828   29.042 21.83143 37.32420 
1 1 1    2   33    9 o  110.678   15.609   35.711   7.5126   27.164   12.430   40.630   9.4298   94.844   26.837  126.511   15.949 -31.66773 31.21851 
1 1 1    2   33   10 o   65.167   19.892   11.506   6.6130   0.0000   0.0000   11.506   6.6130  ?   ?    65.167   19.892      ?      ? 
1 1 1    2   33   11 f   29.349   14.102  -7.3036   5.6393   0.0000   0.0000  -7.3036   5.6393  ?   ?    29.349   14.102      ?      ? 
1 1 1    2   33   12 o  107.976   26.300   34.480   13.149   0.0000   0.0000   34.480   13.149  ?   ?   107.976   26.300      ?      ? 
1 1 1    2   33   13 o   47.135   20.109   1.9073   7.8159   0.0000   0.0000   1.9073   7.8159  ?   ?    47.135   20.109      ?      ? 
1 1 1    2   33   14 o   97.866   25.214   28.170   11.603   0.0000   0.0000   28.170   11.603  ?   ?    97.866   25.214      ?      ? 
1 1 1    2   33   15 o  142.898   26.898   60.720   17.304   60.720   17.304   0.0000   0.0000  142.898   26.898  ?   ?       ?      ? 
1 1 1    2   33   16 o   78.975   14.930   17.882   5.4841   18.760   6.7094   16.113   9.5190   83.611   17.721   74.339   24.033 9.271515 29.85969 
1 1 1    2   33   17 o   55.443   11.345   6.6554   4.0159   15.415   5.5976  -2.6351   5.7648   76.189   16.218   34.698   15.868 41.49166 22.69001 
1 1 1    2   33   18 o   89.818   12.511   22.239   5.1145   30.822   7.2505   13.739   7.2156  110.276   14.068   69.360   20.692 40.91601 25.02125 
1 1 1    2   33   19 f   49.984   11.292   6.4989   3.3429   9.8351   4.3200   1.5194   5.2777   60.607   15.261   39.360   16.647 21.24744 22.58361 
1 1 1    2   33   20 o  131.688   16.443   54.940   7.8948   58.850   9.0508   42.499   16.144  153.015   12.656  110.360   30.353 42.65510 32.88627 
1 1 1    2   33   21 o  168.836   13.268   77.655   10.391   68.657   14.760   86.495   14.631  157.414   20.064  180.259   17.367 -22.84511 26.53610 
1 1 1    2   33   22 o  102.079   12.331   28.179   5.6481   33.394   7.9216   22.786   8.0553  114.083   14.858   90.075   19.685 24.00764 24.66271 
1 1 1    2   33   23 o  168.486   12.928   76.463   10.088   65.486   14.144   87.828   14.392  154.516   19.587  182.456   16.878 -27.93970 25.85590 
1 1 1    2   33   24 o   62.047   12.299   11.079   3.7807   8.2002   6.1205   12.856   4.8076   54.949   19.274   69.145   15.284 -14.19661 24.59801 
1 1 1    2   33   25 o  165.468   11.676   73.950   8.7737   72.821   13.977   74.684   11.271  161.594   18.507  169.341   14.242 -7.746414 23.35238 
1 1 1    2   33   26 o   59.701   9.5705   9.8701   3.6061  -3.0932   5.6107   18.994   4.7071   32.726   15.210   86.675   11.620 -53.94917 19.14092 
1 1 1    2   33   27 o   68.697   12.855   13.258   4.3229   8.6408   5.6946   19.536   6.6410   54.792   18.617   82.602   17.733 -27.81070 25.71087 
1 1 1    2   33   28 o   38.557   11.339   1.8859   3.5963   4.5206   4.4898  -2.8304   6.0071   43.122   16.290   33.993   15.778 9.129444 22.67852 
1 1 1    2   33   29 o   94.571   12.352   25.208   5.3124   20.990   7.1228   30.495   7.9749   84.163   18.603  104.978   16.255 -20.81498 24.70442 
1 1 1    2   33   30 o   76.650   13.189   18.092   4.7406   20.977   6.3359   14.422   7.1452   86.105   16.343   67.194   20.706 18.91136 26.37821 
1 1 1    2   33   31 o   42.068   12.272   3.4187   3.6928   3.1993   4.4483   3.9051   6.6238   39.493   15.834   44.643   18.753 -5.150333 24.54365 
1 1 1    2   33   32 o   87.920   15.555   25.250   6.3130   26.405   9.8078   24.433   8.2490   87.675   23.471   88.165   20.421 -0.4902725 31.11090 
1 1 1    2   33   33 o   50.771   13.037   7.6476   4.2699   10.789   5.7102   3.6633   6.4309   58.530   18.582   43.011   18.292 15.51912 26.07444 
1 1 1    2   33   34 o   78.661   17.109   22.208   6.5214   19.578   7.8099   28.264   11.852   75.687   21.222   81.635   26.843 -5.947784 34.21844 
1 1 1    2   34    0 o  198.960   14.425  102.309   18.512  102.309   18.512  102.309   18.512  198.960   20.401  198.960   20.401 -0.000000 0.000000 
1 1 1    2   34    1 o   84.680   12.719   19.534   5.2423   31.503   7.5585   8.4405   7.2769  111.768   14.470   57.592   20.921 54.17516 25.43782 
1 1 1    2   34    2 o   65.325   13.792   11.773   4.5484   12.711   6.2483   10.716   6.6337   68.030   18.950   62.620   20.044 5.409317 27.58322 
1 1 1    2   34    3 o   99.145   15.392   30.750   7.0353   17.310   11.747   38.266   8.7850   75.729   26.691  122.561   15.337 -46.83204 30.78356 
1 1 1    2   34    4 o  171.808   14.615   75.047   11.294  102.760   19.489   61.037   13.857  192.930   21.615  150.686   19.677 42.24379 29.23014 
1 1 1    2   34    5 o   63.283   19.752   11.038   6.4784   0.0000   0.0000   11.038   6.4784  ?   ?    63.283   19.752      ?      ? 
1 1 1    2   34    6 o  180.085   16.371   88.142   13.302  109.083   22.619   77.072   16.446  192.906   25.089  167.264   21.038 25.64235 32.74266 
1 1 1    2   34    7 o  120.061   16.473   43.795   8.4995   34.302   14.152   49.151   10.630  102.720   28.484  137.401   16.554 -34.68119 32.94559 
1 1 1    2   34    8 o  154.070   19.783   86.547   12.608   42.813   21.445  109.650   15.586  102.847   36.077  205.293   16.245 -102.4461 39.56578 
1 1 1    2   34    9 o   95.926   15.613   27.690   6.8435   22.678   11.392   30.521   8.5603   84.310   26.172  107.543   17.032 -23.23313 31.22569 
1 1 1    2   34   10 o   60.747   13.653   10.397   4.4627   12.426   5.9625   7.8124   6.7294   66.637   18.493   54.858   20.090 11.77930 27.30546 
1 1 1    2   34   11 o   75.190   13.541   15.960   4.7614   15.302   6.4872   16.727   7.0103   73.724   18.777   76.656   19.517 -2.932274 27.08269 
1 1 1    2   34   12 o   70.025   14.695   11.822   5.0272   7.1359   6.0026   22.832   9.2002   52.593   19.017   87.457   22.408 -34.86413 29.38990 
1 1 1    2   34   13 o  118.676   15.297   39.022   7.7416   36.529   9.3503   44.456   13.805  117.327   17.052  120.026   25.402 -2.698654 30.59490 
1 1 1    2   34   14 o   82.639   15.430   19.841   5.9015   20.909   9.7678   19.227   7.4060   82.703   23.916   82.576   19.502 0.1274414 30.85907 
1 1 1    2   34   15 o   41.846   12.145   2.1176   3.9185   4.9018   5.6136  -0.5284   5.4724   47.164   18.119   36.528   16.179 10.63634 24.29088 
1 1 1    2   34   16 o  151.658   12.379   61.064   8.7652   64.789   12.586   57.556   12.214  156.448   17.214  146.868   17.794 9.579514 24.75802 
1 1 1    2   34   17 o   76.966   13.158   17.096   4.8073   11.868   7.0945   21.535   6.5369   64.235   20.746   89.697   16.190 -25.46122 26.31507 
1 1 1    2   34   18 o  104.074   12.377   29.443   5.8318   34.725   8.4839   24.711   8.0296  114.711   15.825   93.437   19.034 21.27385 24.75360 
1 1 1    2   34   19 o   47.704   11.937   5.7687   3.6496   0.9936   5.9383   8.6670   4.6264   39.569   17.208   55.840   16.548 -16.27107 23.87369 
1 1 1    2   34   20 o  172.318   13.244   86.271   10.046   96.849   13.000   70.592   15.827  191.863   14.498  152.773   22.167 39.09000 26.48758 
1 1 1    2   34   21 o   43.994   11.622   4.5222   3.4416   6.9472   4.4284   0.8240   5.4688   50.210   16.403   37.778   16.470 12.43158 23.24490 
1 1 1    2   34   22 o   61.978   12.135   10.592   3.5982   13.913   5.7589   8.4647   4.6085   69.276   17.717   54.679   16.587 14.59758 24.26992 
1 1 1    2   34   23 o  103.668   11.932   31.814   5.1892   22.325   8.1838   38.194   6.7107   84.979   20.780  122.357   11.735 -37.37841 23.86429 
1 1 1    2   34   24 o   67.930   12.251   13.521   4.2153   20.216   6.0521   7.2130   5.8745   85.155   15.789   50.704   18.737 34.45066 24.50242 
1 1 1    2   34   25 o   47.841   10.841   4.1518   3.6316   12.706   5.1439  -4.3491   5.1279   66.336   16.625   29.347   13.918 36.98886 21.68176 
1 1 1    2   34   26 o   28.855   9.3986  -1.8583   2.8696  -2.0397   4.5706  -1.7403   3.6868   30.273   13.949   27.436   12.600 2.837477 18.79729 
1 1 1    2   34   27 o   97.745   12.228   30.265   5.0614   15.953   7.8186   40.589   6.6406   69.449   21.703  126.042   11.273 -56.59297 24.45580 
1 1 1    2   34   28 o   46.711   12.059   5.8462   3.4323   4.3480   4.5711   7.7828   5.1968   42.106   16.302   51.317   17.773 -9.210159 24.11737 
1 1 1    2   34   29 o   45.579   13.353   5.0560   4.2529   5.1664   4.8633   4.6974   8.7683   43.994   16.873   47.164   20.701 -3.170109 26.70625 
1 1 1    2   34   30 o   37.838   11.999   1.1588   3.8344   1.3387   4.3444   0.5246   8.1567   34.527   14.867   41.148   18.839 -6.620903 23.99866 
1 1 1    2   35    0 o  149.162   22.794   68.169   19.710   68.169   19.710   68.169   19.710  149.162   32.235  149.162   32.235 -0.000000 0.000000 
1 1 1    2   35    1 o   74.389   18.565   17.369   8.1626   13.613   11.477   21.214   11.611   67.797   25.940   80.981   26.565 -13.18396 37.12978 
1 1 1    2   35    2 o  188.448   28.324  143.517   24.184  137.344   34.123  149.748   34.280  181.752   41.132  195.144   38.952 -13.39217 56.64871 
1 1 1    2   35    3 o   61.586   16.716   10.270   6.6963   9.8341   8.8045   10.867   10.313   60.287   22.803   62.885   24.448 -2.597900 33.43171 
1 1 1    2   35    4 o   70.456   16.228   13.045   5.5848   10.337   6.5114   20.580   10.862   60.662   19.893   80.250   25.644 -19.58799 32.45570 
1 1 1    2   35    5 o   67.929   15.945   12.768   5.4295   11.351   6.3531   16.607   10.456   63.201   19.533   72.657   25.208 -9.456585 31.89008 
1 1 1    2   35    6 o   76.663   19.188   16.749   6.8584   16.749   6.8584   0.0000   0.0000   76.663   19.188  ?   ?       ?      ? 
1 1 1    2   35    7 o  109.057   16.791   40.035   8.1178   46.238   9.8289   26.724   14.398  132.423   15.882   85.691   29.589 46.73200 33.58196 
1 1 1    2   35    8 o   76.467   15.116   18.473   5.6867   20.682   6.9401   13.957   9.9205   86.062   17.841   66.872   24.407 19.18974 30.23216 
1 1 1    2   35    9 o   46.150   13.522   3.4443   4.3792   2.3621   5.1847   6.1386   8.1803   40.221   16.720   52.078   21.257 -11.85650 27.04433 
1 1 1    2   35   10 o  147.645   15.137   60.223   9.9879   50.716   12.157   79.967   17.520  133.519   19.482  161.771   23.174 -28.25247 30.27482 
1 1 1    2   35   11 o   92.226   15.287   28.362   6.5998   33.036   8.0528   18.799   11.518  111.265   15.486   73.187   26.361 38.07758 30.57318 
1 1 1    2   35   12 o  100.376   18.480   34.883   8.8848   39.566   12.204   29.602   12.960  110.947   24.216   89.805   27.921 21.14190 36.96008 
1 1 1    2   35   13 o   41.998   12.575  -1.5912   4.5650  -7.7548   5.7653   8.7678   7.4742   28.505   13.833   55.490   21.004 -26.98432 25.15010 
1 1 1    2   35   14 o   65.041   15.091   13.418   5.2480   14.247   6.2883   11.515   9.5263   69.298   18.896   60.783   23.534 8.514431 30.18125 
1 1 1    2   35   15 o   95.204   17.529   25.752   7.5117   0.0000   0.0000   25.752   7.5117  ?   ?    95.204   17.529      ?      ? 
1 1 1    2   35   16 f  103.860   12.180   30.280   5.7879   32.268   8.3968   28.479   7.9891  107.999   16.636   99.721   17.795 8.278305 24.36011 
1 1 1    2   35   17 o   60.084   13.223   10.028   4.3686   16.557   6.6984   5.1948   5.7628   73.981   19.205   46.187   18.182 27.79400 26.44674 
1 1 1    2   35   18 o   84.996   15.923   23.495   6.2816   22.804   7.8694   24.709   10.429   86.385   19.902   83.606   24.860 2.778969 31.84534 
1 1 1    2   35   19 o   59.460   13.670   8.7933   4.8440   2.0428   6.2077   19.303   7.7458   40.898   17.690   78.023   20.846 -37.12439 27.33999 
1 1 1    2   35   20 o   69.103   14.354   16.131   5.4401   20.523   6.8738   8.7677   8.8998   83.418   18.148   54.789   22.245 28.62924 28.70879 
1 1 1    2   35   21 o   95.255   13.883   35.738   6.1686   44.164   7.1618   11.522   12.141  131.138   11.686   59.373   25.188 71.76517 27.76632 
1 1 1    2   35   22 o  118.067   12.513   42.423   6.0987   50.435   7.8531   30.248   9.6806  139.492   12.046   96.643   21.935 42.84937 25.02544 
1 1 1    2   35   23 f   69.906   12.806   15.058   4.3266   11.330   6.1323   18.753   6.1053   59.775   19.286   80.038   16.855 -20.26313 25.61282 
1 1 1    2   35   24 o   75.781   11.856   17.387   4.5059   27.464   6.4978   8.0530   6.2539  100.397   13.848   51.165   19.248 49.23187 23.71236 
1 1 1    2   35   25 f   31.244   15.046  -6.0041   6.5028   0.0000   0.0000  -6.0041   6.5028  ?   ?    31.244   15.046      ?      ? 
1 1 1    2   36    0 o   94.109   14.365   25.589   7.8377   25.589   7.8377   25.589   7.8377   94.109   20.314   94.109   20.314 -0.000000 0.000000 
1 1 1    2   36    1 f   83.160   14.001   20.968   5.3638   19.984   7.4790   22.010   7.6967   80.957   19.906   85.363   19.694 -4.405159 28.00182 
1 1 1    2   36    2 o   59.465   14.972   10.552   5.0800   8.8899   6.3544   13.497   8.4563   54.870   19.599   64.060   22.638 -9.189457 29.94329 
1 1 1    2   36    3 o   52.253   12.796   7.0641   4.3997   12.840   6.0092   0.3903   6.4592   65.332   18.719   39.174   17.452 26.15821 25.59254 
1 1 1    2   36    4 o   75.756   20.417   17.885   7.3922   0.0000   0.0000   17.885   7.3922  ?   ?    75.756   20.417      ?      ? 
1 1 1    2   36    5 o   52.208   13.599   7.5265   4.2899   6.1925   5.4935   9.6115   6.8677   48.098   18.051   56.319   20.345 -8.220592 27.19826 
1 1 1    2   36    6 o   47.882   12.871   3.6430   4.7568   11.997   6.6927  -4.8848   6.7620   61.994   20.161   33.770   16.006 28.22434 25.74172 
1 1 1    2   36    7 o   40.764   12.413   2.0325   4.3461   4.4216   5.0358  -4.9419   8.6042   43.396   17.024   38.132   18.068 5.264477 24.82506 
1 1 1    2   36    8 o   87.001   16.146   24.775   6.3248   24.187   7.5392   26.172   11.621   90.576   18.437   83.425   26.510 7.150818 32.29124 
1 1 1    2   36    9 o   70.538   13.234   15.306   4.9257   23.023   6.9339   7.4435   6.9985   89.493   17.203   51.583   20.116 37.91011 26.46894 
1 1 1    2   36   10 o  163.460   14.679   81.996   10.958   96.053   15.356   67.407   15.643  182.657   17.988  144.264   23.202 38.39340 29.35855 
1 1 1    2   36   11 o  103.705   13.383   32.334   6.1971   38.686   8.5280   25.227   9.0207  119.021   15.331   88.389   21.940 30.63236 26.76585 
1 1 1    2   36   12 o   36.752   10.535  -1.0392   3.4604   6.7594   4.9324  -8.5978   4.8560   49.056   17.294   24.449   12.037 24.60702 21.07074 
1 1 1    2   36   13 o   48.271   12.597   6.1644   3.8732   3.6230   5.4371   8.7827   5.5188   42.181   17.286   54.361   18.328 -12.17995 25.19404 
1 1 1    2   36   14 o   96.041   15.040   26.365   6.2203   20.534   7.4403   39.902   11.337   81.441   19.751  110.641   22.686 -29.19965 30.07955 
1 1 1    2   36   15 f   46.997   12.983   5.7458   4.1402   7.1938   6.0523   4.4721   5.6761   50.053   18.912   43.942   17.792 6.110813 25.96548 
1 1 1    2   36   16 o   60.675   12.422   11.710   3.8776   8.1766   6.3706   13.789   4.8872   51.926   19.448   69.423   15.460 -17.49717 24.84428 
1 1 1    2   36   17 o   57.670   13.368   10.684   4.3251   7.6127   6.3893   13.281   5.8761   50.318   19.330   65.022   18.470 -14.70415 26.73595 
1 1 1    2   36   18 o   85.448   13.433   23.071   5.2101   21.554   7.8002   24.293   7.0008   80.687   20.611   90.210   17.234 -9.522461 26.86649 
1 1 1    2   36   19 f   56.766   12.779   9.8499   3.7300   11.796   6.0759   8.6729   4.7251   60.154   19.175   53.378   16.898 6.775593 25.55836 
1 1 1    2   37    0 o  125.960   13.099   44.158   10.214   44.158   10.214   44.158   10.214  125.960   18.525  125.960   18.525 -0.000000 0.000000 
1 1 1    2   37    1 o   75.881   13.491   18.119   4.7620   17.811   6.4073   18.500   7.1175   76.063   18.256   75.700   19.868 0.3623810 26.98181 
1 1 1    2   37    2 o   49.975   13.157   7.6251   4.3175   9.5679   5.2109   3.3710   7.7107   55.697   17.758   44.253   19.418 11.44381 26.31341 
1 1 1    2   37    3 o   39.626   11.132   0.1110   3.6621  -6.6557   4.8747   8.8768   5.5483   25.824   12.574   53.428   18.372 -27.60438 22.26334 
1 1 1    2   37    4 o   78.959   13.263   19.545   4.8797   23.714   7.0072   15.619   6.7994   88.985   17.473   68.933   19.959 20.05183 26.52696 
1 1 1    2   37    5 o   71.841   13.962   18.110   5.2961   10.690   8.3977   23.009   6.8244   55.870   21.963   87.811   17.244 -31.94170 27.92415 
1 1 1    2   37    6 o   51.440   14.526   7.4395   4.7154   6.2807   5.4256   11.017   9.5329   46.852   17.857   56.027   22.917 -9.174934 29.05244 
1 1 1    2   37    7 o   60.074   14.450   13.079   5.3102   15.642   6.2364   6.3220   10.126   70.260   18.673   49.888   22.057 20.37277 28.89938 
1 1 1    2   37    8 o   49.759   13.845   6.5516   4.4412   11.271   7.9622   4.4200   5.3510   56.897   21.645   42.622   17.269 14.27468 27.68944 
1 1 1    3    0    1 o  346.008   13.589  283.756   30.856  283.756   30.856  283.756   30.856  346.008   19.217  346.008   19.217 -0.000000 0.000000 
1 1 1    3    0    2 o  378.326   14.626  339.276   36.323  339.276   36.323  339.276   36.323  378.326   20.685  378.326   20.685 -0.000000 0.000000 
1 1 1    3    0    3 o  254.165   10.243  152.775   17.080  152.775   17.080  152.775   17.080  254.165   14.486  254.165   14.486 -0.000000 0.000000 
1 1 1    3    0    4 o   39.107   6.9018   4.1784   1.5434   4.1784   1.5434   4.1784   1.5434   39.107   9.7606   39.107   9.7606 -0.000000 0.000000 
1 1 1    3    0    5 o   22.321   7.7659   1.7138   1.3672   1.7138   1.3672   1.7138   1.3672   22.321   10.983   22.321   10.983 -0.000000 0.000000 
1 1 1    3    0    6 o  260.646   15.221  162.497   25.810  162.497   25.810  162.497   25.810  260.646   21.526  260.646   21.526 -0.000000 0.000000 
1 1 1    3    0    7 o  117.707   9.1301   33.562   6.8852   33.562   6.8852   33.562   6.8852  117.707   12.912  117.707   12.912 -0.000000 0.000000 
1 1 1    3    0    8 o  188.181   11.803   84.818   14.415   84.818   14.415   84.818   14.415  188.181   16.692  188.181   16.692 -0.000000 0.000000 
1 1 1    3    0    9 o  498.204   40.876  613.704  129.871  613.704  129.871  613.704  129.871  498.204   57.807  498.204   57.807 -0.000000 0.000000 
1 1 1    3    0   10 o   31.931   9.1834   3.3237   1.9021   3.3237   1.9021   3.3237   1.9021   31.931   12.987   31.931   12.987 -0.000000 0.000000 
1 1 1    3    0   11 o  257.486   15.087  158.590   25.269  158.590   25.269  158.590   25.269  257.486   21.336  257.486   21.336 -0.000000 0.000000 
1 1 1    3    0   12 o  484.469   26.839  564.763   84.726  564.763   84.726  564.763   84.726  484.469   37.956  484.469   37.956 -0.000000 0.000000 
1 1 1    3    0   13 o  1016.75   94.234  2908.20  603.115  2908.20  603.115  2908.20  603.115  1016.75  133.268  1016.75  133.268 -0.000000 0.000000 
1 1 1    3    0   15 o  127.238   14.951   41.016   11.529   41.016   11.529   41.016   11.529  127.238   21.143  127.238   21.143 -0.000000 0.000000 
1 1 1    3    0   16 o   76.349   14.303   16.241   6.2357   16.241   6.2357   16.241   6.2357   76.349   20.227   76.349   20.227 -0.000000 0.000000 
1 1 1    3    0   17 o  458.835   25.669  510.170   76.723  510.170   76.723  510.170   76.723  458.835   36.302  458.835   36.302 -0.000000 0.000000 
1 1 1    3    0   18 o   38.786   10.695   4.8250   2.6170   4.8250   2.6170   4.8250   2.6170   38.786   15.125   38.786   15.125 -0.000000 0.000000 
1 1 1    3    0   19 o  426.172   23.906  438.746   66.363  438.746   66.363  438.746   66.363  426.172   33.809  426.172   33.809 -0.000000 0.000000 
1 1 1    3    0   20 o  206.197   12.888  102.189   17.248  102.189   17.248  102.189   17.248  206.197   18.226  206.197   18.226 -0.000000 0.000000 
1 1 1    3    0   21 o  222.212   13.585  118.640   19.608  118.640   19.608  118.640   19.608  222.212   19.211  222.212   19.211 -0.000000 0.000000 
1 1 1    3    0   22 o  105.048   14.999   28.847   9.2257   28.847   9.2257   28.847   9.2257  105.048   21.211  105.048   21.211 -0.000000 0.000000 
1 1 1    3    0   23 o  178.690   9.3056   75.986   10.853   75.986   10.853   75.986   10.853  178.690   13.160  178.690   13.160 -0.000000 0.000000 
1 1 1    3    0   24 o   62.416   8.5719   10.080   3.1530   10.080   3.1530   10.080   3.1530   62.416   12.122   62.416   12.122 -0.000000 0.000000 
1 1 1    3    0   25 o  412.453   18.442  404.463   49.812  404.463   49.812  404.463   49.812  412.453   26.080  412.453   26.080 -0.000000 0.000000 
1 1 1    3    0   26 o  490.422   21.983  572.590   70.597  572.590   70.597  572.590   70.597  490.422   31.088  490.422   31.088 -0.000000 0.000000 
1 1 1    3    0   27 o  1064.93   47.458  2761.43  330.986  2761.43  330.986  2761.43  330.986  1064.93   67.115  1064.93   67.115 -0.000000 0.000000 
1 1 1    3    0   28 o  268.450   12.902  171.099   22.649  171.099   22.649  171.099   22.649  268.450   18.246  268.450   18.246 -0.000000 0.000000 
1 1 1    3    0   29 o  404.415   18.099  388.472   47.932  388.472   47.932  388.472   47.932  404.415   25.595  404.415   25.595 -0.000000 0.000000 
1 1 1    3    0   30 f  504.252   41.693  631.938  133.988  631.938  133.988  631.938  133.988  504.252   58.963  504.252   58.963 -0.000000 0.000000 
1 1 1    3    0   31 o  479.214   39.696  569.701  121.215  569.701  121.215  569.701  121.215  479.214   56.138  479.214   56.138 -0.000000 0.000000 
1 1 1    3    0   33 o  385.144   21.432  355.981   53.778  355.981   53.778  355.981   53.778  385.144   30.309  385.144   30.309 -0.000000 0.000000 
1 1 1    3    0   34 o   61.612   14.217   11.329   5.1270   11.329   5.1270   11.329   5.1270   61.612   20.106   61.612   20.106 -0.000000 0.000000 
1 1 1    3    0   35 o   33.025   13.325   3.2843   4.5637   3.2843   4.5637   3.2843   4.5637   33.025   18.844   33.025   18.844 -0.000000 0.000000 
1 1 1    3    0   36 o   53.509   16.155   9.5509   5.8245   9.5509   5.8245   9.5509   5.8245   53.509   22.847   53.509   22.847 -0.000000 0.000000 
1 1 1    3    0   37 o  232.710   14.785  130.227   22.318  130.227   22.318  130.227   22.318  232.710   20.909  232.710   20.909 -0.000000 0.000000 
1 1 1    3    0   38 o  389.049   21.692  364.727   54.979  364.727   54.979  364.727   54.979  389.049   30.677  389.049   30.677 -0.000000 0.000000 
1 1 1    3    0   39 o   74.700   17.594   16.831   7.7376   16.831   7.7376   16.831   7.7376   74.700   24.881   74.700   24.881 -0.000000 0.000000 
1 1 1    3    0   40 o  463.897   20.853  516.621   63.344  516.621   63.344  516.621   63.344  463.897   29.491  463.897   29.491 -0.000000 0.000000 
1 1 1    3    0   41 o  816.420   37.004  1674.21  197.791  1674.21  197.791  1674.21  197.791  816.420   52.331  816.420   52.331 -0.000000 0.000000 
1 1 1    3    0   42 o  397.954   17.965  380.340   46.811  380.340   46.811  380.340   46.811  397.954   25.407  397.954   25.407 -0.000000 0.000000 
1 1 1    3    0   43 o  420.907   18.809  426.344   51.847  426.344   51.847  426.344   51.847  420.907   26.601  420.907   26.601 -0.000000 0.000000 
1 1 1    3    0   44 o   37.385   14.311   4.6792   4.9493   4.6792   4.9493   4.6792   4.9493   37.385   20.239   37.385   20.239 -0.000000 0.000000 
1 1 1    3    0   45 o   53.454   15.554   9.4570   5.4378   9.4570   5.4378   9.4570   5.4378   53.454   21.996   53.454   21.996 -0.000000 0.000000 
1 1 1    3    0   46 o  111.216   14.080   31.899   9.3622   31.899   9.3622   31.899   9.3622  111.216   19.912  111.216   19.912 -0.000000 0.000000 
1 1 1    3    0   47 f   45.177   16.743   7.0891   6.5889   7.0891   6.5889   7.0891   6.5889   45.177   23.678   45.177   23.678 -0.000000 0.000000 
1 1 1    3    0   48 f   49.503   19.624   8.0912   9.6688   8.0912   9.6688   8.0912   9.6688   49.503   27.752   49.503   27.752 -0.000000 0.000000 
1 1 1    3    0   49 o  126.015   12.222   39.624   9.6353   39.624   9.6353   39.624   9.6353  126.015   17.284  126.015   17.284 -0.000000 0.000000 
1 1 1    3    0   50 o  180.980   10.280   78.876   12.114   78.876   12.114   78.876   12.114  180.980   14.538  180.980   14.538 -0.000000 0.000000 
1 1 1    3    0   51 o   94.408   11.879   23.002   6.7124   23.002   6.7124   23.002   6.7124   94.408   16.799   94.408   16.799 -0.000000 0.000000 
1 1 1    3    0   52 o  202.049   10.923   98.351   14.391   98.351   14.391   98.351   14.391  202.049   15.448  202.049   15.448 -0.000000 0.000000 
1 1 1    3    0   53 o  141.175   21.479   54.730   17.588   54.730   17.588   54.730   17.588  141.175   30.375  141.175   30.375 -0.000000 0.000000 
1 1 1    3    0   54 o  187.376   13.071   86.444   15.827   86.444   15.827   86.444   15.827  187.376   18.486  187.376   18.486 -0.000000 0.000000 
1 1 1    3    0   55 o  138.492   11.948   47.659   10.502   47.659   10.502   47.659   10.502  138.492   16.898  138.492   16.898 -0.000000 0.000000 
1 1 1    3    0   56 o  129.762   11.089   41.703   9.1412   41.703   9.1412   41.703   9.1412  129.762   15.682  129.762   15.682 -0.000000 0.000000 
1 1 1    3    0   57 o  147.498   10.486   53.155   9.9856   53.155   9.9856   53.155   9.9856  147.498   14.830  147.498   14.830 -0.000000 0.000000 
1 1 1    3    0   58 o   41.605   17.763   4.6153   8.9378   4.6153   8.9378   4.6153   8.9378   41.605   25.121   41.605   25.121 -0.000000 0.000000 
1 1 1    3    0   59 o   41.236   17.627   4.4477   8.8230   4.4477   8.8230   4.4477   8.8230   41.236   24.929   41.236   24.929 -0.000000 0.000000 
1 1 1    3    0   60 f  242.999   26.407  164.177   39.433  164.177   39.433  164.177   39.433  242.999   37.345  242.999   37.345 -0.000000 0.000000 
1 1 1    3    0   61 o   35.827   16.292   0.9648   8.8400   0.9648   8.8400   0.9648   8.8400   35.827   23.041   35.827   23.041 -0.000000 0.000000 
1 1 1    3    0   62 o   63.532   25.190   15.800   15.936   15.800   15.936   15.800   15.936   63.532   35.624   63.532   35.624 -0.000000 0.000000 
1 1 1    3    0   63 o   65.908   25.197   17.557   15.325   17.557   15.325   17.557   15.325   65.908   35.635   65.908   35.635 -0.000000 0.000000 
1 1 1    3    0   64 o   63.156   21.245   15.171   10.120   15.171   10.120   15.171   10.120   63.156   30.045   63.156   30.045 -0.000000 0.000000 
1 1 1    3    0   65 o   87.142   19.403   23.997   9.8175   23.997   9.8175   23.997   9.8175   87.142   27.439   87.142   27.439 -0.000000 0.000000 
1 1 1    3    0   66 o  101.850   29.291   40.438   19.350   40.438   19.350   40.438   19.350  101.850   41.423  101.850   41.423 -0.000000 0.000000 
1 1 1    3    0   67 o   80.914   27.042   27.935   16.369   27.935   16.369   27.935   16.369   80.914   38.243   80.914   38.243 -0.000000 0.000000 
1 1 1    3    0   70 o   65.091   19.270   16.225   8.3142   16.225   8.3142   16.225   8.3142   65.091   27.252   65.091   27.252 -0.000000 0.000000 
1 1 1    3    0   71 o   52.729   20.806   13.064   10.809   13.064   10.809   13.064   10.809   52.729   29.425   52.729   29.425 -0.000000 0.000000 
1 1 1    3    0   72 o   39.189   17.500   5.0010   9.6632   5.0010   9.6632   5.0010   9.6632   39.189   24.748   39.189   24.748 -0.000000 0.000000 
1 1 1    3    0   73 o   52.875   18.722   12.585   8.0035   12.585   8.0035   12.585   8.0035   52.875   26.477   52.875   26.477 -0.000000 0.000000 
1 1 1    3    1    0 o  186.577   7.9468   82.358   9.7181   82.358   9.7181   82.358   9.7181  186.577   11.238  186.577   11.238 -0.000000 0.000000 
1 1 1    3    1    1 o  337.361   14.314  268.317   22.350  271.382   34.140  266.018   29.567  338.813   21.560  335.908   18.834 2.904816 28.62789 
1 1 1    3    1    2 o  212.463   8.8580  105.866   8.7951  106.971   12.438  104.761   12.438  213.576   12.461  211.351   12.592 2.225250 17.71594 
1 1 1    3    1    3 o  548.277   20.374  715.428   52.171  745.264   73.783  685.594   73.780  559.920   28.196  536.633   29.418 23.28625 40.74858 
1 1 1    3    1    4 o  622.898   27.317  931.866   79.515  917.529  112.449  946.205  112.454  617.973   38.935  627.823   38.326 -9.849976 54.63393 
1 1 1    3    1    5 o  570.904   31.060  785.717   82.773  742.504  117.057  828.932  117.061  554.708   45.153  587.100   42.663 -32.39197 62.12075 
1 1 1    3    1    6 o  161.229   10.375   61.097   7.7836   54.565   11.004   67.637   11.011  152.555   15.435  169.903   13.867 -17.34795 20.74901 
1 1 1    3    1    7 o  857.152   43.670  1804.36  174.176  1989.45  246.328  1619.29  246.316  903.353   58.346  810.951   64.991 92.40167 87.33932 
1 1 1    3    1    8 o  228.964   16.519  129.754   16.152  141.530   19.789  106.246   27.960  245.678   17.235  212.249   28.187 33.42891 33.03829 
1 1 1    3    1    9 o  486.198   25.336  562.328   57.335  504.640   81.079  620.032   81.089  460.807   37.648  511.589   33.916 -50.78201 50.67218 
1 1 1    3    1   10 o  717.474   38.876  1254.02  129.870  1134.01  183.658  1374.05  183.670  681.680   57.648  753.268   52.173 -71.58691 77.75182 
1 1 1    3    1   11 o  547.479   28.697  718.676   73.241  776.150  103.583  661.211  103.574  569.939   38.888  525.018   42.212 44.92065 57.39438 
1 1 1    3    1   12 o  668.946   43.014  1076.08  128.307  1228.31  222.244  999.980  157.140  698.378   68.092  639.514   52.577 58.86334 86.02830 
1 1 1    3    1   13 o  678.327   51.576  1259.67  145.771  1401.45  178.532  976.114  252.484  755.876   50.539  600.778   89.924 155.0973 103.1528 
1 1 1    3    1   14 o  417.912   46.964  428.899   91.725  428.899   91.725   0.0000   0.0000  417.912   46.964  ?   ?       ?      ? 
1 1 1    3    1   15 o  224.538   15.705  117.459   15.643  113.469   19.154  125.449   27.109  219.334   18.686  229.743   25.248 -10.40839 31.41034 
1 1 1    3    1   16 o  337.688   17.776  274.021   27.600  218.241   39.001  329.978   39.063  302.293   27.606  373.084   22.403 -70.79083 35.55279 
1 1 1    3    1   17 f  129.455   8.2587   38.787   4.9159   36.565   6.3302   42.163   7.8030  124.881   10.846  134.029   12.457 -9.147629 16.51731 
1 1 1    3    1   18 o  142.906   8.8011   47.825   5.7590   47.449   7.4211   48.394   9.1312  142.260   11.162  143.552   13.611 -1.292404 17.60228 
1 1 1    3    1   19 o  218.687   14.751  112.539   13.064  111.995   15.082  114.172   26.142  218.274   14.784  219.101   25.530 -0.8267517 29.50169 
1 1 1    3    1   20 f  587.458   38.834  890.062   90.934  893.054  105.002  881.085  181.870  604.205   37.185  570.712   68.187 33.49249 77.66716 
1 1 1    3    1   21 o  194.198   11.772   88.935   10.682   90.462   15.101   87.406   15.114  195.882   16.496  192.513   16.798 3.369034 23.54330 
1 1 1    3    1   22 o  508.046   31.132  598.710   71.017  768.644  123.041  513.817   86.965  557.146   47.254  458.945   40.545 98.20105 62.26450 
1 1 1    3    1   23 f  524.120   34.286  684.664   71.947  688.182   83.077  674.111  143.889  534.945   33.230  513.295   59.982 21.65051 68.57149 
1 1 1    3    1   24 o  318.942   15.835  237.788   23.225  227.017   29.975  253.969   36.737  310.253   20.673  327.630   23.993 -17.37775 31.67035 
1 1 1    3    1   25 o  289.578   13.042  197.043   17.648  194.298   24.965  199.785   24.952  287.550   18.577  291.606   18.309 -4.055878 26.08314 
1 1 1    3    1   26 o  152.090   9.0503   53.324   6.3397   59.068   10.029   49.502   8.1816  158.783   13.515  145.398   12.040 13.38550 18.10063 
1 1 1    3    1   27 o  314.901   15.645  230.360   22.668  249.334   35.873  217.748   29.247  325.419   23.587  304.384   20.559 21.03461 31.28985 
1 1 1    3    1   28 o  539.013   25.923  687.735   64.123  710.972  101.404  672.252   82.774  545.697   39.761  532.329   33.271 13.36743 51.84556 
1 1 1    3    1   29 o  266.300   14.850  166.836   18.451  178.879   26.216  155.016   25.972  275.879   20.333  256.720   21.647 19.15881 29.69914 
1 1 1    3    1   30 o  518.312   37.558  691.081   82.340  551.862  142.654  760.636  100.832  471.986   64.672  564.639   38.211 -92.65311 75.11640 
1 1 1    3    1   31 o  388.455   24.196  340.998   42.177  422.148   72.993  300.323   51.678  420.878   37.109  356.032   31.058 64.84647 48.39109 
1 1 1    3    1   32 o  566.105   63.265  794.773  167.380  794.773  167.380   0.0000   0.0000  566.105   63.265  ?   ?       ?      ? 
1 1 1    3    1   33 o  453.375   30.317  494.375   60.630  488.176   74.247  506.783  105.043  451.686   35.172  455.064   49.391 -3.377991 60.63491 
1 1 1    3    1   34 o  243.563   12.302  136.938   13.781  126.141   17.707  153.521   21.945  231.699   16.353  255.426   18.383 -23.72696 24.60390 
1 1 1    3    1   35 o  689.518   32.600  1139.76  103.605  1031.23  133.734  1302.65  163.849  650.665   43.979  728.371   48.134 -77.70581 65.19946 
1 1 1    3    1   36 f  470.945   23.100  525.657   50.031  501.579   64.597  561.756   79.095  458.458   30.149  483.432   35.008 -24.97458 46.20078 
1 1 1    3    1   37 o  204.351   13.092   98.593   12.470   90.744   17.688  106.349   17.583  196.176   19.292  212.526   17.703 -16.34953 26.18366 
1 1 1    3    1   38 o  709.464   40.415  1284.60  133.648  1185.74  189.001  1383.47  189.011  679.648   59.503  739.280   54.706 -59.63135 80.82911 
1 1 1    3    1   39 o   95.155   12.606   24.154   5.2013   13.032   8.1154   31.907   6.7759   73.708   21.934  116.603   12.434 -42.89431 25.21295 
1 1 1    3    1   40 o  437.926   19.439  460.649   39.759  442.014   56.220  479.294   56.236  428.820   28.053  447.032   26.917 -18.21194 38.87799 
1 1 1    3    1   41 o  292.079   13.683  202.843   18.677  204.438   26.417  201.249   26.409  293.247   19.276  290.912   19.424 2.334167 27.36510 
1 1 1    3    1   42 o  172.301   9.8387   70.164   7.8911   77.802   11.212   62.669   11.108  181.690   13.204  162.913   14.589 18.77707 19.67743 
1 1 1    3    1   43 o  218.781   12.567  115.073   12.514  120.570   16.210  106.962   19.689  225.774   15.363  211.788   19.892 13.98630 25.13350 
1 1 1    3    1   44 o  397.860   18.273  384.002   33.976  385.893   48.056  382.112   48.042  398.875   25.779  396.845   25.903 2.029175 36.54510 
1 1 1    3    1   45 o   40.779   11.663   1.5989   3.4739   0.3834   4.8418   2.8883   4.9869   37.847   15.973   43.711   16.999 -5.864399 23.32551 
1 1 1    3    1   46 o  261.582   15.603  166.316   18.980  147.351   26.765  185.503   26.920  246.007   23.280  277.157   20.783 -31.15079 31.20699 
1 1 1    3    1   47 o   36.290   17.362 -11.1289   8.3438   0.0000   0.0000 -11.1289   8.3438  ?   ?    36.290   17.362      ?      ? 
1 1 1    3    1   48 o  169.772   17.444   69.159   13.841   0.0000   0.0000   69.159   13.841  ?   ?   169.772   17.444      ?      ? 
1 1 1    3    1   49 o   70.432   14.346   10.511   4.9410   19.003   8.6079   6.3380   6.0341   86.641   21.387   54.223   19.127 32.41767 28.69270 
1 1 1    3    1   50 f   56.528   12.290   7.0163   3.7489   3.3899   4.9831   11.745   5.6904   44.610   17.087   68.446   17.668 -23.83599 24.57904 
1 1 1    3    1   51 o   89.472   11.608   18.943   4.6631   27.452   7.2953   13.065   6.0634  106.982   14.591   71.962   18.058 35.01996 23.21641 
1 1 1    3    1   52 o  178.967   16.170   80.075   12.699   77.214   21.798   81.544   15.624  174.654   26.706  183.281   18.240 -8.627045 32.34018 
1 1 1    3    1   53 o   75.440   15.838   12.802   5.0306   11.689   5.5909   17.535   11.529   68.083   17.481   82.797   26.416 -14.71481 31.67625 
1 1 1    3    1   54 o   99.648   16.298   23.299   6.9545   18.955   8.2372   34.082   12.977   85.698   20.781  113.597   25.111 -27.89942 32.59508 
1 1 1    3    1   55 o  127.299   16.338   40.550   8.7252   39.163   10.415   43.815   15.979  126.589   17.604  128.010   27.528 -1.420998 32.67533 
1 1 1    3    1   56 f   64.198   14.012   10.648   4.7602   13.124   5.8269   5.6788   8.2537   71.956   17.496   56.440   21.891 15.51521 28.02394 
1 1 1    3    1   57 o   54.853   13.939   4.1416   4.8746  -0.9766   6.2211   12.282   7.8456   39.871   17.470   69.835   21.726 -29.96488 27.87862 
1 1 1    3    1   58 o   59.525   16.647   6.1146   5.7551   5.9495   6.4007   6.8115   13.149   53.131   19.572   65.919   26.933 -12.78792 33.29348 
1 1 1    3    1   59 o  141.903   11.506   48.051   7.3963   44.728   9.2501   53.940   12.316  135.880   14.566  147.925   17.815 -12.04456 23.01194 
1 1 1    3    1   60 o  126.165   12.224   40.161   6.8873   42.320   8.7258   36.594   11.217  131.932   14.152  120.398   19.935 11.53343 24.44742 
1 1 1    3    1   61 o  201.935   23.550  119.015   21.589  130.743   30.471  107.194   30.593  215.990   30.186  187.880   36.154 28.10997 47.09918 
1 1 1    3    1   62 o   35.916   17.150  -9.3812   8.0600   0.0000   0.0000  -9.3812   8.0600  ?   ?    35.916   17.150      ?      ? 
1 1 1    3    1   63 o   55.873   16.414   0.1023   6.0751  -3.6437   6.8453   13.996   13.183   37.658   17.248   74.088   27.932 -36.42943 32.82767 
1 1 1    3    1   64 o   96.719   18.490   29.165   8.8340   34.313   10.613   17.553   15.939  113.401   20.792   80.038   30.582 33.36319 36.98077 
1 1 1    3    1   65 f   74.040   18.890   15.287   8.0917   15.009   9.8924   15.848   14.066   72.920   24.539   75.159   28.727 -2.239586 37.78072 
1 1 1    3    1   66 f   71.927   18.015   14.768   8.0203   19.022   9.7670   5.9620   14.054   81.255   24.036   62.598   26.841 18.65642 36.02998 
1 1 1    3    1   67 o   61.740   22.978   9.9803   8.8651   9.9803   8.8651   0.0000   0.0000   61.740   22.978  ?   ?       ?      ? 
1 1 1    3    1   68 o   95.823   28.244   30.967   13.508   30.967   13.508   0.0000   0.0000   95.823   28.244  ?   ?       ?      ? 
1 1 1    3    1   69 o  107.436   21.744   33.535   10.543   0.0000   0.0000   33.535   10.543  ?   ?   107.436   21.744      ?      ? 
1 1 1    3    1   70 o   49.875   15.983   1.7906   7.1614   5.2530   13.906   0.5409   8.3544   55.913   25.201   43.837   19.665 12.07592 31.96573 
1 1 1    3    1   71 o   57.528   16.500   7.5455   6.5222   18.486   11.903   2.8512   7.7969   69.933   26.498   45.123   19.669 24.81013 33.00074 
1 1 1    3    1   72 o   56.822   14.769   9.3049   5.6196   15.455   7.9085   3.0325   7.9866   68.289   21.888   45.354   19.835 22.93538 29.53800 
1 1 1    3    1   73 o   37.689   12.286  -1.0211   5.0223  -0.4073   7.2093  -1.5998   7.0005   38.571   17.679   36.807   17.066 1.764828 24.57217 
1 1 1    3    2    0 o  176.266   7.6301   73.500   8.8128   73.500   8.8128   73.500   8.8128  176.266   10.791  176.266   10.791 -0.000000 0.000000 
1 1 1    3    2    1 f  233.714   9.8086  128.189   10.706  122.491   15.138  133.891   15.142  228.496   14.176  238.932   13.560 -10.43681 19.61729 
1 1 1    3    2    2 o  291.313   9.1386  199.755   12.285  204.521   16.251  193.400   18.767  295.462   11.769  287.164   13.984 8.297974 18.27712 
1 1 1    3    2    3 o  211.586   10.061  104.983   9.9483  105.712   14.070  104.254   14.068  212.323   14.180  210.849   14.276 1.474075 20.12125 
1 1 1    3    2    4 o  213.267   11.132  105.248   10.930  114.769   17.285   98.905   14.108  221.143   16.724  205.391   14.698 15.75220 22.26473 
1 1 1    3    2    5 o  430.833   23.174  440.230   46.660  444.916   65.988  435.544   65.986  433.160   32.597  428.506   32.950 4.654266 46.34901 
1 1 1    3    2    6 o  430.039   23.214  444.379   45.312  467.618   58.495  409.515   71.648  445.081   28.121  414.997   36.941 30.08347 46.42715 
1 1 1    3    2    7 o  328.891   14.295  250.478   21.644  235.007   27.936  273.710   34.234  316.462   18.888  341.320   21.461 -24.85782 28.58937 
1 1 1    3    2    8 o   86.345   7.1258   17.533   2.8053   17.872   3.6109   17.018   4.4556   87.414   8.8389   85.277   11.180 2.136238 14.25167 
1 1 1    3    2    9 o  548.436   28.533  724.677   71.914  873.526  101.715  575.904  101.688  606.493   35.885  490.379   44.371 116.1143 57.06589 
1 1 1    3    2   10 o  370.303   18.466  327.220   31.100  341.108   40.149  306.385   49.176  380.690   22.566  359.916   29.235 20.77350 36.93136 
1 1 1    3    2   11 o  438.823   21.474  455.855   43.168  453.100   55.725  459.991   68.264  437.784   27.236  439.863   33.207 -2.078674 42.94806 
1 1 1    3    2   12 o  462.271   24.747  510.769   53.385  542.185   75.493  479.345   75.503  476.815   33.878  447.727   36.083 29.08804 49.49455 
1 1 1    3    2   13 o  470.882   33.524  530.411   73.776  530.411   73.776   0.0000   0.0000  470.882   33.524  ?   ?       ?      ? 
1 1 1    3    2   14 o  180.135   22.472   76.771   18.918   76.771   18.918   0.0000   0.0000  180.135   22.472  ?   ?       ?      ? 
1 1 1    3    2   15 o  391.000   28.890  387.514   48.483  413.897   59.382  334.763   83.967  415.512   30.579  366.487   49.024 49.02463 57.77911 
1 1 1    3    2   16 o  182.206   11.361   78.254   9.6567   83.542   13.647   72.950   13.667  188.426   15.497  175.986   16.617 12.43979 22.72137 
1 1 1    3    2   17 o  392.716   19.733  371.887   35.267  385.585   45.529  351.340   55.762  402.899   24.180  382.533   31.191 20.36609 39.46554 
1 1 1    3    2   18 o   91.640   7.4340   19.948   3.0913   20.906   3.9809   18.493   4.9065   94.485   9.0151   88.796   11.823 5.689354 14.86809 
1 1 1    3    2   19 o  476.760   29.099  539.807   56.705  522.167   65.475  592.743  113.422  466.776   30.014  486.745   49.860 -19.96896 58.19702 
1 1 1    3    2   20 o  242.690   16.501  140.292   16.174  140.336   18.679  140.160   32.327  243.919   16.386  241.462   28.647 2.456818 33.00230 
1 1 1    3    2   21 f  238.928   13.734  134.957   15.336  134.601   21.686  135.313   21.691  238.609   19.447  239.246   19.400 -0.6372070 27.46888 
1 1 1    3    2   22 o  567.829   31.389  794.514   82.858  884.022  117.188  705.032  117.171  601.551   41.684  534.107   46.941 67.44336 62.77708 
1 1 1    3    2   23 o  152.936   10.317   55.092   7.3439   60.946   10.401   49.274   10.370  161.100   13.815  144.772   15.327 16.32774 20.63460 
1 1 1    3    2   24 o  312.926   17.458  231.661   25.524  225.440   36.075  237.897   36.119  308.670   25.008  317.183   24.366 -8.513489 34.91516 
1 1 1    3    2   25 o  228.864   16.497  123.109   16.658  122.452   20.412  124.418   28.825  228.267   19.133  229.460   26.879 -1.192841 32.99362 
1 1 1    3    2   26 f  570.032   29.209  777.894   77.730  818.676  109.937  737.129  109.916  585.336   40.188  554.728   42.397 30.60773 58.41751 
1 1 1    3    2   27 o  577.467   38.427  804.751   97.928  828.813  169.620  792.721  119.936  580.261   62.548  574.673   44.657 5.587891 76.85331 
1 1 1    3    2   28 o  143.924   12.869   49.158   8.1295   47.044   14.019   50.229   9.9787  141.450   21.206  146.398   14.585 -4.948044 25.73731 
1 1 1    3    2   29 o  480.750   23.558  544.804   52.013  529.164   67.156  568.251   82.227  472.806   30.392  488.694   36.003 -15.88797 47.11542 
1 1 1    3    2   30 o  433.592   24.518  448.379   49.421  500.775   69.916  396.058   69.867  459.428   32.563  407.757   36.663 51.67133 49.03556 
1 1 1    3    2   31 o  432.743   33.804  452.736   68.168  414.192   96.388  491.305   96.420  413.681   49.856  451.805   45.664 -38.12427 67.60747 
1 1 1    3    2   32 o  256.882   18.872  159.713   21.088  145.135   36.424  167.063   25.864  247.287   31.517  266.477   20.768 -19.19023 37.74454 
1 1 1    3    2   33 o  335.911   18.794  267.717   29.439  288.373   41.681  247.155   41.586  349.034   25.552  322.789   27.567 26.24506 37.58774 
1 1 1    3    2   34 o  257.903   15.126  157.098   18.194  169.003   25.760  145.249   25.699  267.754   20.586  248.052   22.168 19.70197 30.25264 
1 1 1    3    2   35 o  565.358   38.784  808.472   95.347  761.062  165.144  832.177  116.776  545.742   64.749  584.975   42.714 -39.23376 77.56890 
1 1 1    3    2   36 o  502.586   27.482  611.118   64.545  619.549   91.291  602.691   91.271  506.173   38.591  498.999   39.137 7.173218 54.96346 
1 1 1    3    2   37 o  211.159   13.193  105.658   12.918   90.876   18.308  120.314   18.230  196.240   19.962  226.078   17.254 -29.83856 26.38508 
1 1 1    3    2   38 o  679.105   50.886  1255.60  148.690  1155.58  257.481  1305.64  182.128  639.795   86.111  718.414   54.245 -78.61902 101.7728 
1 1 1    3    2   39 o  215.412   19.049  109.537   19.177   0.0000   0.0000  109.537   19.177  ?   ?   215.412   19.049      ?      ? 
1 1 1    3    2   40 o  304.862   15.515  220.986   21.650  222.270   34.284  220.133   27.922  305.040   24.049  304.683   19.609 0.3569641 31.02974 
1 1 1    3    2   41 o  385.601   17.435  357.493   31.411  347.802   44.434  367.173   44.408  380.223   25.006  390.978   24.303 -10.75513 34.87023 
1 1 1    3    2   42 o  407.785   18.815  404.146   35.555  345.870   50.280  462.433   50.286  377.204   28.522  438.366   24.545 -61.16147 37.62926 
1 1 1    3    2   43 o  107.351   10.566   28.504   4.9582   20.417   7.1847   35.858   6.8511   91.281   17.478  123.421   11.878 -32.14048 21.13211 
1 1 1    3    2   44 o  299.649   15.255  211.920   21.034  196.338   27.082  235.609   33.392  286.476   20.228  312.823   22.840 -26.34650 30.50983 
1 1 1    3    2   45 o  131.925   11.928   41.988   7.2559   47.344   9.9683   35.951   10.582  141.240   15.101  122.611   18.467 18.62864 23.85557 
1 1 1    3    2   46 f  149.211   14.044   53.745   8.4261   53.878   9.7234   53.346   16.885  150.730   13.803  147.691   24.462 3.038589 28.08757 
1 1 1    3    2   47 o  263.043   20.620  176.497   23.480  161.380   40.624  184.081   28.773  250.921   34.642  275.165   22.374 -24.24448 41.23944 
1 1 1    3    2   48 o  157.642   17.114   61.258   12.570   57.160   18.009   65.151   17.552  152.113   25.332  163.170   23.017 -11.05698 34.22727 
1 1 1    3    2   49 o  175.681   14.330   73.565   11.765   73.565   11.765   0.0000   0.0000  175.681   14.330  ?   ?       ?      ? 
1 1 1    3    2   50 o  183.303   11.412   79.951   9.5687   76.694   12.228   85.095   15.368  179.013   14.616  187.594   17.529 -8.580978 22.82318 
1 1 1    3    2   51 o  207.606   12.883  108.488   11.927  121.011   15.388   89.644   18.876  224.588   14.661  190.623   21.188 33.96503 25.76591 
1 1 1    3    2   52 o  154.453   19.080   74.046   10.673   85.613   12.333   39.531   21.303  189.268   13.942  119.639   35.522 69.62886 38.16032 
1 1 1    3    2   53 o  151.905   17.397   65.778   9.5929   71.920   11.040   46.854   19.380  173.269   13.634  130.541   32.011 42.72841 34.79311 
1 1 1    3    2   54 o   71.176   15.047   14.125   6.0286   19.086   6.9584  -0.8038   12.072   86.905   17.733   55.446   24.314 31.45844 30.09342 
1 1 1    3    2   55 o  150.821   12.381   55.579   8.7240   56.720   12.277   54.415   12.399  152.490   17.227  149.152   17.788 3.338211 24.76218 
1 1 1    3    2   56 o   75.009   14.480   14.455   5.1094   14.807   6.4068   13.839   8.4688   76.311   18.217   73.707   22.514 2.603210 28.96074 
1 1 1    3    2   57 o  102.645   14.309   27.223   6.6550   32.527   9.0900   21.095   9.7700  115.520   16.837   89.769   23.141 25.75111 28.61775 
1 1 1    3    2   58 o   45.549   13.632  -0.1196   5.1366  -3.8231   6.8448   4.6548   7.7717   37.895   17.315   53.204   21.061 -15.30975 27.26487 
1 1 1    3    2   59 o   63.170   14.958   8.6585   5.2642   4.9398   6.7431   14.461   8.4234   51.687   19.858   74.654   22.376 -22.96713 29.91669 
1 1 1    3    2   60 o  131.197   14.012   47.378   7.5980   57.127   9.7191   32.055   12.184  153.507   13.547  108.887   24.532 44.62038 28.02397 
1 1 1    3    2   61 o  161.802   20.624   77.924   13.600   60.221   24.044   86.252   16.491  138.751   36.565  184.852   19.089 -46.10081 41.24792 
1 1 1    3    2   62 o  113.412   19.055   39.415   9.7619   26.266   18.268   44.670   11.549   93.931   33.265  132.893   18.595 -38.96229 38.10949 
1 1 1    3    2   63 o  172.096   18.428   80.416   13.420   78.078   16.279   85.375   23.707  173.989   20.021  170.202   30.943 3.787231 36.85517 
1 1 1    3    2   64 o   58.049   15.531   2.2625   7.5057   16.176   9.7488 -17.9884   11.761   76.406   24.281   39.693   19.372 36.71374 31.06236 
1 1 1    3    2   65 o   57.726   16.844   5.4324   7.7509   10.328   9.3223  -5.5303   13.950   63.616   23.585   51.836   24.055 11.77982 33.68799 
1 1 1    3    2   66 o   54.240   16.671   2.6422   7.4888   3.0791   9.0714   1.7075   13.270   51.437   21.794   57.043   25.233 -5.605640 33.34195 
1 1 1    3    2   67 o   66.843   17.386   12.541   7.1454   13.439   9.4772   11.359   10.877   68.460   23.985   65.226   25.177 3.233559 34.77289 
1 1 1    3    2   68 o   56.025   15.845   6.3257   6.1803   2.9044   7.7948   12.118   10.142   47.277   20.123   64.772   24.480 -17.49484 31.68902 
1 1 1    3    2   69 o   77.648   23.148   18.455   9.0325   0.0000   0.0000   18.455   9.0325  ?   ?    77.648   23.148      ?      ? 
1 1 1    3    2   70 o  102.458   17.970   33.212   8.6716   51.023   14.097   22.369   10.999  125.119   24.982   79.796   25.837 45.32275 35.93975 
1 1 1    3    2   71 o   52.087   15.251   6.7956   6.5097  -7.0517   14.004   10.613   7.3524   45.821   22.069   58.353   21.055 -12.53223 30.50170 
1 1 1    3    2   72 o   48.807   15.742   2.7158   7.2841   2.5820   14.193   2.7637   8.4869   51.927   24.153   45.686   20.196 6.240608 31.48416 
1 1 1    3    2   73 o   56.246   16.186   11.093   7.6820  -3.7040   14.933   16.419   8.9584   46.430   22.467   66.061   23.305 -19.63152 32.37123 
1 1 1    3    3    0 o  1358.50   74.086  4728.88  656.099  4728.88  656.099  4728.88  656.099  1358.50  104.773  1358.50  104.773 -0.000000 0.000000 
1 1 1    3    3    1 o  331.272   17.641  263.157   26.594  194.858   37.597  331.541   37.621  287.131   28.018  375.413   21.443 -88.28287 35.28159 
1 1 1    3    3    2 o  246.558   14.517  143.001   16.708  134.997   23.617  151.021   23.641  239.605   21.091  253.510   19.954 -13.90503 29.03410 
1 1 1    3    3    3 o  1008.06   61.893  2560.67  252.414  2501.28  291.459  2738.84  504.845  1008.90   61.814  1007.22  107.249 1.683899 123.7869 
1 1 1    3    3    4 o  656.018   34.579  1038.79  105.650  1135.38  149.411  942.205  149.412  687.521   46.500  624.514   51.192 63.00781 69.15816 
1 1 1    3    3    5 o  766.633   58.090  1551.42  189.049  1680.88  231.536  1292.50  327.442  830.490   59.654  702.776   99.695 127.7142 116.1800 
1 1 1    3    3    6 o  350.019   17.011  289.787   27.589  333.208   39.032  246.437   39.001  376.540   22.181  323.498   25.796 53.04236 34.02104 
1 1 1    3    3    7 o  1131.58   70.502  3358.32  369.964  2928.05  523.210  3788.59  523.206  1050.22  106.599  1212.94   92.298 -162.7228 141.0041 
1 1 1    3    3    8 o  391.122   27.924  386.555   42.610  407.500   49.198  323.688   85.236  415.879   25.313  366.364   49.781 49.51471 55.84744 
1 1 1    3    3    9 o  796.024   41.034  1552.96  152.475  1636.27  215.642  1469.67  215.623  818.414   56.379  773.635   59.637 44.77856 82.06809 
1 1 1    3    3   10 o  174.935   9.6805   71.816   7.7487   72.197   10.003   71.244   12.252  175.569   12.191  174.301   15.041 1.268616 19.36098 
1 1 1    3    3   11 o  506.438   31.650  628.510   64.109  603.593  128.220  636.815   74.027  495.074   55.417  517.803   30.590 -22.72876 63.29921 
1 1 1    3    3   12 o  302.223   19.618  216.258   26.138  215.261   32.019  218.250   45.252  301.947   22.690  302.499   32.009 -0.5521851 39.23551 
1 1 1    3    3   13 o  548.857   45.351  772.203  116.238  740.150  164.405  804.240  164.365  536.358   65.587  561.356   62.651 -24.99835 90.70188 
1 1 1    3    3   14 o   74.366   9.7173   15.031   3.0068   18.458   3.7285   8.6557   5.0851   88.780   8.9861   59.952   17.232 28.82780 19.43466 
1 1 1    3    3   15 o  379.201   21.080  345.590   37.185  308.129   52.572  383.096   52.604  358.052   31.417  400.349   28.115 -42.29614 42.16016 
1 1 1    3    3   16 o  256.807   13.609  157.402   15.902  163.680   20.527  147.981   25.147  263.616   16.661  249.997   21.523 13.61948 27.21829 
1 1 1    3    3   17 o   74.339   6.3766   12.948   2.2091   14.232   3.1546   11.713   3.0947   77.962   8.6580   70.716   9.3638 7.245117 12.75313 
1 1 1    3    3   18 o  142.903   9.0288   47.657   5.9282   46.493   7.6659   49.390   9.3503  140.796   11.650  145.010   13.797 -4.213898 18.05768 
1 1 1    3    3   19 o  127.918   7.4944   38.422   4.4719   41.146   6.3253   35.701   6.3231  132.472   10.217  123.365   10.967 9.107834 14.98878 
1 1 1    3    3   20 o  206.777   10.885  100.327   10.321   98.712   13.315  102.759   16.336  204.853   13.908  208.701   16.749 -3.847488 21.77027 
1 1 1    3    3   21 o  318.299   17.873  240.942   26.585  244.363   37.604  237.523   37.589  320.597   25.097  316.001   25.453 4.596436 35.74510 
1 1 1    3    3   22 o  412.628   22.562  411.672   42.932  486.973   60.735  336.471   60.694  451.646   28.774  373.609   34.761 78.03677 45.12454 
1 1 1    3    3   23 o  129.065   8.4515   38.833   4.9901   40.148   7.9731   37.986   6.3981  130.809   13.042  127.322   10.752 3.487694 16.90296 
1 1 1    3    3   24 o  724.956   35.084  1266.79  116.983  1362.56  184.982  1202.96  151.016  745.338   53.105  704.573   45.862 40.76404 70.16724 
1 1 1    3    3   25 o  511.174   27.825  625.190   66.352  582.602   93.833  667.784   93.840  493.347   40.697  529.002   37.957 -35.65546 55.65008 
1 1 1    3    3   26 o  157.215   12.340   56.228   8.6784   52.280   10.653   64.019   14.965  149.337   15.263  165.094   19.395 -15.75708 24.68085 
1 1 1    3    3   27 o  326.501   17.763  251.357   27.086  240.572   38.282  262.168   38.330  319.426   25.644  333.576   24.587 -14.14932 35.52590 
1 1 1    3    3   28 o  445.338   31.986  495.489   61.142  424.417  105.949  530.977   74.866  417.737   54.269  472.940   33.872 -55.20337 63.97203 
1 1 1    3    3   29 o  137.597   8.9903   43.827   5.7163   41.132   7.4536   47.675   8.9075  132.537   12.033  142.656   13.360 -10.11906 17.98058 
1 1 1    3    3   30 o  622.144   34.151  939.766   98.425  1078.74  139.217  800.880  139.172  669.923   44.466  574.366   51.847 95.55743 68.30261 
1 1 1    3    3   31 o  241.229   20.073  137.731   22.588  147.281   31.949  128.186   31.941  249.698   27.378  232.761   29.363 16.93671 40.14605 
1 1 1    3    3   32 o  302.409   24.370  218.209   34.403  206.568   48.669  229.835   48.638  294.176   35.400  310.643   33.502 -16.46683 48.73932 
1 1 1    3    3   33 o  127.204   11.582   37.899   6.3049   37.722   7.5243   38.316   11.552  126.845   12.693  127.562   19.377 -0.7170181 23.16426 
1 1 1    3    3   34 o  513.184   21.882  628.190   52.424  661.436   74.159  594.979   74.119  527.035   30.108  499.332   31.761 27.70349 43.76388 
1 1 1    3    3   35 o  240.482   14.462  139.884   15.668  152.082   20.227  121.582   24.776  254.273   17.021  226.691   23.386 27.58289 28.92427 
1 1 1    3    3   36 o  228.656   12.640  124.024   13.145  127.397   16.889  118.843   20.934  232.837   15.521  224.474   19.954 8.362579 25.27987 
1 1 1    3    3   37 o  644.461   45.064  1090.39  114.495  1111.51  132.192  1026.96  229.068  674.543   41.933  614.380   79.778 60.16339 90.12736 
1 1 1    3    3   38 o  102.885   15.424   30.255   6.4245   35.071   7.4155   15.763   12.864  122.219   12.983   83.551   27.983 38.66888 30.84804 
1 1 1    3    3   39 o  242.896   17.508  138.992   18.707  136.374   22.791  144.398   32.749  240.128   20.308  245.664   28.524 -5.535767 35.01529 
1 1 1    3    3   40 o  264.591   13.078  167.943   15.699  156.947   24.960  175.140   20.193  256.845   20.794  272.338   15.865 -15.49319 26.15533 
1 1 1    3    3   41 o  197.546   15.223   93.247   12.190   93.283   14.108   93.139   24.217  198.701   15.192  196.390   26.385 2.311600 30.44600 
1 1 1    3    3   42 f  199.037   11.402   91.240   10.457   78.345   13.498  110.596   16.538  181.964   15.873  216.111   16.374 -34.14778 22.80469 
1 1 1    3    3   43 o   57.239   13.598   7.3796   4.2460   7.9146   5.4032   6.5157   6.8658   57.859   18.035   56.619   20.357 1.239510 27.19649 
1 1 1    3    3   44 o  142.943   14.792   53.020   8.0102   56.354   9.2942   43.394   15.794  154.527   12.870  131.358   26.639 23.16902 29.58436 
1 1 1    3    3   45 o   97.964   14.021   21.204   6.1590   14.431   7.5796   34.368   10.567   76.168   20.736  119.761   18.879 -43.59312 28.04287 
1 1 1    3    3   46 o  219.374   17.189  118.060   16.605  116.279   28.532  118.972   20.419  216.440   28.206  222.307   19.653 -5.867554 34.37811 
1 1 1    3    3   47 o  141.964   17.012   49.965   11.056   49.410   15.799   50.497   15.476  140.026   25.063  143.903   23.011 -3.876831 34.02434 
1 1 1    3    3   48 o  182.135   18.299   82.579   15.447   71.042   21.853   94.100   21.837  168.587   27.736  195.683   23.878 -27.09615 36.59813 
1 1 1    3    3   49 o  212.839   15.531  110.067   13.349  109.182   15.412  112.725   26.713  213.622   15.437  212.054   26.955 1.568039 31.06233 
1 1 1    3    3   50 o  104.130   15.427   32.988   6.4480   38.472   7.4047   15.783   13.116  127.171   12.459   81.089   28.226 46.08178 30.85382 
1 1 1    3    3   51 o   55.132   14.754   5.7545   4.7195   6.0199   5.4227   4.9255   9.5834   52.117   18.149   58.147   23.267 -6.030468 29.50843 
1 1 1    3    3   52 o   71.261   15.886   11.595   5.1256   10.931   5.7668   14.093   11.185   66.046   18.131   76.475   26.091 -10.42908 31.77220 
1 1 1    3    3   53 o  101.051   15.039   22.488   6.4484   16.446   7.5958   38.076   12.201   80.127   20.269  121.976   22.223 -41.84877 30.07802 
1 1 1    3    3   54 o   69.824   15.125   12.177   5.4445   9.8428   7.4877   14.795   7.9307   63.843   21.350   75.804   21.432 -11.96024 30.25096 
1 1 1    3    3   55 o  191.985   13.736   91.716   12.095   72.125   17.033  111.647   17.179  170.005   21.438  213.965   17.180 -43.95979 27.47217 
1 1 1    3    3   56 o  148.081   12.432   53.757   8.5669   56.808   11.836   50.401   12.415  152.869   16.567  143.293   18.539 9.576355 24.86315 
1 1 1    3    3   57 o  202.818   12.781  100.235   11.948   96.054   15.533  106.295   18.700  198.385   16.754  207.252   19.306 -8.867233 25.56167 
1 1 1    3    3   58 o   58.692   14.181   5.9106   4.8610   1.2282   6.0441   14.486   8.1795   42.746   17.932   74.638   21.972 -31.89169 28.36106 
1 1 1    3    3   59 o   50.150   14.084   3.9488   4.8826   4.1415   6.3800   3.6763   7.5854   49.221   19.203   51.079   20.607 -1.858284 28.16784 
1 1 1    3    3   60 o  148.669   11.784   52.345   8.0146   42.014   10.218   68.864   12.920  130.344   16.774  166.994   16.555 -36.64917 23.56758 
1 1 1    3    3   61 o   61.790   16.002   6.5858   7.5210   16.078   9.0174 -15.1097   13.633   77.424   23.139   46.155   22.111 31.26851 32.00468 
1 1 1    3    3   62 o  104.142   21.816   32.390   11.479   27.738   16.270   37.000   16.198   96.438   31.437  111.845   30.256 -15.40752 43.63157 
1 1 1    3    3   63 o   53.402   17.008  -2.2539   8.9596  -0.4241   12.324  -4.3050   13.048   54.525   24.209   52.279   23.896 2.246162 34.01550 
1 1 1    3    3   64 o  101.112   20.997   31.562   11.140   40.651   15.183   20.965   16.395  117.695   28.009   84.529   31.289 33.16573 41.99395 
1 1 1    3    3   65 o   52.037   15.004   3.2796   6.2086   9.1734   8.4249  -3.7254   9.1848   60.612   22.431   43.462   19.933 17.14971 30.00783 
1 1 1    3    3   66 f   72.417   18.049   5.6974   9.2693 -11.3641   11.868   32.380   14.842   43.447   20.764  101.387   29.527 -57.93927 36.09721 
1 1 1    3    3   67 o   54.574   17.148  -1.1080   8.4569  -7.4977   10.429   11.163   14.452   42.317   20.004   66.832   27.859 -24.51464 34.29686 
1 1 1    3    3   68 o  148.581   21.477   72.080   13.435   77.986   24.609   69.572   16.036  141.076   36.902  156.085   21.983 -15.00905 42.95359 
1 1 1    3    3   69 o   63.471   14.429   7.6005   6.7763   23.983   9.2752 -11.1538   9.9241   89.142   22.315   37.800   18.297 51.34193 28.85737 
1 1 1    3    3   70 o   48.354   15.123   2.8101   6.7373   3.4180   9.6147   2.2237   9.4437   49.182   21.629   47.525   21.142 1.656799 30.24570 
1 1 1    3    3   71 o   55.321   15.175   8.8504   6.7489   14.444   7.5665 -12.9170   14.926   66.741   21.411   43.901   21.510 22.84034 30.35003 
1 1 1    3    3   72 o   64.560   15.466   15.193   7.0701   21.566   8.1426  -4.3310   14.253   81.965   21.124   47.156   22.595 34.80912 30.93125 
1 1 1    3    3   73 o   47.011   15.298   2.6897   7.8598  -4.8762   14.028   6.1517   9.4892   44.780   21.694   49.242   21.576 -4.461956 30.59670 
1 1 1    3    4    0 o  307.470   17.514  225.967   35.059  225.967   35.059  225.967   35.059  307.470   24.768  307.470   24.768 -0.000000 0.000000 
1 1 1    3    4    1 o  555.905   29.413  739.914   75.916  644.289  107.354  835.566  107.369  519.094   44.252  592.716   38.761 -73.62231 58.82685 
1 1 1    3    4    2 o  723.391   38.782  1265.91  131.110  1273.85  185.418  1257.96  185.416  725.742   54.667  721.040   55.023 4.701965 77.56332 
1 1 1    3    4    3 o  564.633   27.810  763.224   72.632  639.554  102.708  886.937  102.725  517.760   42.445  611.505   35.945 -93.74585 55.62051 
1 1 1    3    4    4 o  633.838   46.931  1116.36  109.803  758.021  219.598  1235.82  126.791  546.396   85.996  721.281   37.613 -174.8848 93.86195 
1 1 1    3    4    5 o  565.982   25.647  741.008   66.905  887.471  105.794  643.391   86.370  611.204   37.037  520.760   35.488 90.44379 51.29435 
1 1 1    3    4    6 o  370.495   30.673  352.025   47.730  393.835   58.454  268.379   82.679  408.080   30.650  332.910   53.141 75.16974 61.34599 
1 1 1    3    4    7 o  510.629   24.853  620.449   59.197  576.688   83.712  664.221   83.722  492.289   36.385  528.968   33.866 -36.67856 49.70691 
1 1 1    3    4    8 o  341.094   19.293  274.937   30.753  278.807   43.493  271.068   43.489  343.521   27.091  338.667   27.477 4.854065 38.58619 
1 1 1    3    4    9 o  328.134   26.895  257.915   41.148  277.593   58.159  238.193   58.225  340.985   36.495  315.284   39.515 25.70108 53.78974 
1 1 1    3    4   10 o  272.224   15.655  175.045   19.861  190.058   28.079  160.013   28.096  284.033   21.153  260.416   23.086 23.61713 31.31096 
1 1 1    3    4   11 o  632.615   48.199  980.611  142.501  980.611  142.501   0.0000   0.0000  632.615   48.199  ?   ?       ?      ? 
1 1 1    3    4   12 o  199.560   13.154   87.763   11.795   72.956   14.449  117.343   20.422  176.049   17.561  223.071   19.589 -47.02184 26.30860 
1 1 1    3    4   13 o  939.178   80.794  2759.92  327.525  2744.63  401.144  2790.50  567.266  987.182   86.948  891.174  136.201 96.00769 161.5882 
1 1 1    3    4   14 o  434.715   34.120  481.329   66.409  332.190   93.871  630.757   93.961  361.249   55.601  508.181   39.563 -146.9324 68.23964 
1 1 1    3    4   15 f  321.479   25.247  275.909   33.201  319.856   40.669  188.085   57.492  367.021   23.710  275.937   44.581 91.08389 50.49397 
1 1 1    3    4   16 o  216.698   12.321  110.965   12.419   98.464   17.541  123.529   17.586  204.326   18.370  229.071   16.426 -24.74522 24.64282 
1 1 1    3    4   17 o  261.679   15.517  146.429   17.087  128.763   19.734  199.350   34.155  233.726   18.066  289.632   25.233 -55.90553 31.03359 
1 1 1    3    4   18 o  336.514   15.478  258.776   23.853  201.790   30.780  344.448   37.740  291.645   22.582  381.383   21.174 -89.73761 30.95629 
1 1 1    3    4   19 o  456.533   25.351  509.558   53.986  474.936   76.349  544.178   76.347  440.306   37.103  472.759   34.555 -32.45383 50.70140 
1 1 1    3    4   20 o   98.212   10.974   24.119   4.1390   25.125   4.7873   21.142   8.2368  103.541   9.8930   92.883   19.591 10.65868 21.94750 
1 1 1    3    4   21 o  203.535   16.953  107.367   14.299  123.071   17.522   76.055   24.742  228.695   16.394  178.375   29.680 50.32037 33.90660 
1 1 1    3    4   22 o  178.647   17.317   86.362   12.102  102.074   14.825   54.979   20.953  208.381   15.223  148.913   31.110 59.46861 34.63470 
1 1 1    3    4   23 o  996.964  105.257  3330.60  465.089  2706.34  657.691  3955.03  657.781  856.459  170.309  1137.47  123.737 -281.0103 210.5137 
1 1 1    3    4   24 o  274.292   24.298  188.237   28.310  262.024   40.086  114.809   39.988  333.134   25.747  215.451   41.216 117.6829 48.59672 
1 1 1    3    4   25 o  585.459   38.083  817.604   98.967  783.681  121.201  885.479  171.440  570.896   45.426  600.023   61.137 -29.12738 76.16585 
1 1 1    3    4   26 o  316.034   20.084  234.674   29.665  234.674   29.665   0.0000   0.0000  316.034   20.084  ?   ?       ?      ? 
1 1 1    3    4   27 o  155.088   11.767   56.299   7.4830   56.170   8.6967   56.668   14.686  154.886   12.014  155.290   20.235 -0.4036560 23.53309 
1 1 1    3    4   28 o  309.506   15.550  227.506   21.939  235.880   28.379  215.071   34.584  316.901   19.162  302.111   24.495 14.79050 31.09915 
1 1 1    3    4   29 o  554.198   28.469  750.820   71.177  810.187   91.906  661.849  112.512  584.085   33.669  524.311   45.916 59.77368 56.93740 
1 1 1    3    4   30 o  560.252   37.839  760.212   93.437  774.489  161.783  753.065  114.457  560.489   61.762  560.014   43.732 0.4746094 75.67738 
1 1 1    3    4   31 o  458.590   36.497  516.515   76.799  407.837  108.594  625.257  108.626  407.870   56.969  509.310   45.636 -101.4399 72.99432 
1 1 1    3    4   32 o  157.219   13.471   59.288   9.3217   61.748   11.538   54.666   15.817  162.200   15.221  152.239   22.231 9.961456 26.94267 
1 1 1    3    4   33 o  232.257   15.431  124.589   14.821  121.593   17.222  133.140   29.100  227.497   16.198  237.016   26.270 -9.518616 30.86286 
1 1 1    3    4   34 o  361.435   20.505  328.378   32.529  384.399   42.015  244.547   51.396  403.431   22.284  319.439   34.427 83.99139 41.00986 
1 1 1    3    4   35 o  131.233   9.9982   39.182   6.0366   32.643   7.7834   49.052   9.5628  117.918   14.124  144.548   14.156 -26.63007 19.99641 
1 1 1    3    4   36 o   84.620   11.368   16.536   4.3511   13.616   5.5887   21.030   6.9332   74.651   16.461   94.588   15.684 -19.93709 22.73674 
1 1 1    3    4   37 f   91.768   13.319   20.551   5.2079   21.045   6.2577   19.438   9.3937   94.643   14.148   88.894   22.570 5.749306 26.63775 
1 1 1    3    4   38 o  215.868   19.325  110.014   19.496  110.014   19.496   0.0000   0.0000  215.868   19.325  ?   ?       ?      ? 
1 1 1    3    4   39 o  169.508   15.109   66.843   11.277   64.386   13.695   72.017   19.876  165.148   17.744  173.868   24.461 -8.720016 30.21882 
1 1 1    3    4   40 o  362.207   19.960  317.728   33.781  310.759   47.828  324.664   47.718  358.084   28.580  366.329   27.872 -8.245300 39.92034 
1 1 1    3    4   41 o  296.279   15.760  213.757   21.146  227.463   27.324  193.290   33.390  309.313   18.902  283.246   25.224 26.06708 31.52020 
1 1 1    3    4   42 o  505.613   22.850  629.156   53.977  646.083   76.349  612.240   76.322  512.769   31.859  498.457   32.763 14.31253 45.69918 
1 1 1    3    4   43 o  410.757   18.331  408.829   35.187  404.894   49.772  412.762   49.753  408.704   26.058  412.809   25.788 -4.104492 36.66122 
1 1 1    3    4   44 o  140.344   10.435   45.623   6.7377   35.912   8.8806   58.795   10.343  123.045   15.443  157.643   14.038 -34.59814 20.87009 
1 1 1    3    4   45 f  288.221   15.342  200.905   20.262  200.752   26.228  201.131   31.912  289.061   19.415  287.381   23.760 1.679871 30.68353 
1 1 1    3    4   46 o   76.038   15.224   12.310   4.8250   18.805   10.680   10.644   5.4083   86.521   25.004   65.556   17.373 20.96527 30.44740 
1 1 1    3    4   47 o  257.460   18.437  161.797   19.157  167.850   38.434  159.796   22.097  257.073   31.990  257.848   18.337 -0.7740784 36.87305 
1 1 1    3    4   48 o  266.293   19.865  178.153   23.030  176.424   40.355  178.988   28.045  261.913   32.969  270.673   22.170 -8.760040 39.72956 
1 1 1    3    4   49 o   57.620   14.384   5.8832   4.5433   3.6170   5.3955   11.406   8.4232   46.280   17.767   68.959   22.627 -22.67916 28.76861 
1 1 1    3    4   50 o  136.993   14.504   45.151   8.8399   43.118   10.849   49.166   15.247  133.426   17.399  140.559   23.211 -7.133743 29.00798 
1 1 1    3    4   51 o  104.487   16.775   26.367   8.1915   26.367   8.1915   0.0000   0.0000  104.487   16.775  ?   ?       ?      ? 
1 1 1    3    4   52 o  206.179   18.946  103.734   18.256  103.734   18.256   0.0000   0.0000  206.179   18.946  ?   ?       ?      ? 
1 1 1    3    4   53 o  118.595   14.701   34.197   7.4948   31.857   9.0783   39.208   13.282  114.388   16.982  122.803   24.003 -8.414818 29.40279 
1 1 1    3    4   54 o   61.700   16.506   7.5563   6.6544   10.338   8.6067   3.4223   10.492   66.081   22.873   57.320   23.803 8.761562 33.01144 
1 1 1    3    4   55 o  128.374   13.812   36.626   7.7894   29.392   9.2760   53.925   14.345  109.514   18.124  147.234   20.848 -37.71992 27.62412 
1 1 1    3    4   56 o   48.029   13.839   2.2046   4.8775   0.2688   6.3834   4.9203   7.5609   42.378   18.128   53.680   20.915 -11.30196 27.67830 
1 1 1    3    4   57 o  103.260   13.758   26.703   6.4133   17.653   8.6355   37.833   9.5769   82.120   22.040  124.401   16.472 -42.28106 27.51562 
1 1 1    3    4   58 o   44.058   13.131   0.9314   4.7126   3.5268   5.8968  -3.6565   7.8400   46.846   18.408   41.270   18.731 5.576416 26.26215 
1 1 1    3    4   59 o   61.514   16.709   7.0481   6.2733   5.7179   7.4721   10.225   11.548   54.533   20.915   68.496   26.065 -13.96236 33.41841 
1 1 1    3    4   60 o   94.381   17.302   25.849   7.6335   29.407   9.1781   17.865   13.748  106.889   19.072   81.872   28.873 25.01697 34.60327 
1 1 1    3    4   61 o   92.142   19.165   23.557   9.6253   11.232   13.775   35.317   13.455   71.473   28.119  112.812   26.048 -41.33949 38.32964 
1 1 1    3    4   62 o   97.255   19.990   27.340   9.5912   28.106   14.356   26.723   12.890   97.954   29.178   96.555   27.332 1.399689 39.97972 
1 1 1    3    4   63 o   44.973   14.896  -8.0150   6.9383 -10.8122   8.2323  -1.1554   12.892   35.141   16.924   54.805   24.517 -19.66367 29.79114 
1 1 1    3    4   64 o   65.903   18.022   10.314   7.5798   11.168   9.0331   8.2807   13.935   65.729   23.379   66.078   27.434 -0.3486023 36.04483 
1 1 1    3    4   65 o   85.107   15.554   20.317   6.0943   20.224   7.6609   20.478   10.058   86.272   19.464   83.942   24.266 2.329300 31.10766 
1 1 1    3    4   66 o   89.805   19.534   20.824   8.3959   14.525   9.8578   37.465   16.022   71.611   24.494  107.998   30.437 -36.38670 39.06834 
1 1 1    3    4   67 o  108.930   17.742   35.130   8.0923   34.159   9.3746   37.971   16.029  113.361   17.695  104.499   30.757 8.861610 35.48421 
1 1 1    3    4   68 o   51.215   14.590   4.2466   5.9899   9.8369   7.5171  -5.4767   9.9139   59.889   21.325   42.540   19.918 17.34888 29.17996 
1 1 1    3    4   69 o   56.016   16.098   5.6551   7.8055   14.750   9.6926 -11.1255   13.166   68.117   24.219   43.915   21.213 24.20162 32.19512 
1 1 1    3    4   70 o   84.000   18.368   21.423   8.6128   8.8740   10.724   44.221   14.455   57.012   23.900  110.987   27.899 -53.97409 36.73682 
1 1 1    3    4   71 o   75.392   15.663   17.070   6.3010   8.6244   8.0423   30.495   10.140   54.272   21.443   96.513   22.836 -42.24139 31.32572 
1 1 1    3    4   72 o   54.991   14.801   8.2754   6.8920   16.457   7.9786 -15.7748   13.680   69.782   21.942   40.201   19.869 29.58120 29.60157 
1 1 1    3    5    0 o  911.565   47.529  2027.82  282.775  2027.82  282.775  2027.82  282.775  911.565   67.216  911.565   67.216 -0.000000 0.000000 
1 1 1    3    5    1 o  707.501   34.161  1204.90  112.944  1186.10  159.725  1223.69  159.729  701.817   48.697  713.185   47.922 -11.36841 68.32268 
1 1 1    3    5    2 o  707.425   37.446  1218.42  122.775  1392.95  173.641  1043.93  173.618  760.208   48.874  654.643   56.748 105.5652 74.89294 
1 1 1    3    5    3 o  1195.39   59.473  3633.74  326.194  3797.89  515.768  3524.32  421.108  1208.36   91.330  1182.42   76.204 25.93994 118.9467 
1 1 1    3    5    4 o  563.052   28.744  674.772   68.287  962.553  136.635  578.959   78.839  632.382   46.232  493.723   34.168 138.6584 57.48736 
1 1 1    3    5    5 o  535.204   23.907  684.529   59.236  578.197   83.751  790.969   83.794  492.674   36.374  577.735   31.034 -85.06085 47.81388 
1 1 1    3    5    6 f  773.526   35.929  1454.45  129.879  1436.38  183.672  1472.53  183.682  768.527   51.138  778.526   50.484 -9.999390 71.85873 
1 1 1    3    5    7 o   88.519   10.645   18.776   4.2433   14.734   5.9008   23.103   6.1063   77.748   16.735   99.290   13.159 -21.54180 21.28917 
1 1 1    3    5    8 o  274.348   19.318  196.899   21.779  133.908   37.663  228.544   26.695  236.908   34.017  311.788   18.320 -74.87973 38.63671 
1 1 1    3    5    9 o  314.197   35.408  236.505   51.993   0.0000   0.0000  236.505   51.993  ?   ?   314.197   35.408      ?      ? 
1 1 1    3    5   10 o  566.183   46.171  821.948  122.170  825.620  172.775  818.276  172.772  567.571   65.136  564.796   65.454 2.774292 92.34143 
1 1 1    3    5   11 o  272.118   19.714  186.880   22.771  205.796   27.908  149.204   39.387  295.208   20.228  249.029   33.842 46.17944 39.42707 
1 1 1    3    5   12 o  179.494   14.407   80.852   10.979   89.418   13.469   63.890   18.954  195.025   14.778  163.962   24.735 31.06290 28.81332 
1 1 1    3    5   13 o  161.419   10.369   62.325   7.6101   78.965   10.779   45.786   10.746  183.408   12.575  139.430   16.491 43.97717 20.73837 
1 1 1    3    5   14 o  247.192   16.331  137.814   18.093  170.408   31.408  121.625   22.135  267.649   25.109  226.734   20.889 40.91483 32.66172 
1 1 1    3    5   15 o  102.147   7.7399   24.468   3.6935   25.231   5.2197   23.703   5.2270  103.747   10.765  100.547   11.123 3.200027 15.47980 
1 1 1    3    5   16 o  214.432   12.892  108.597   12.883   99.195   18.214  118.009   18.224  205.046   19.007  223.818   17.422 -18.77229 25.78385 
1 1 1    3    5   17 o  449.899   20.266  479.370   41.934  456.506   54.131  513.683   66.314  437.421   26.479  462.377   30.688 -24.95523 40.53259 
1 1 1    3    5   18 o  468.439   36.623  569.158   77.571  416.967  109.639  721.693  109.763  398.866   58.816  538.011   43.654 -139.1454 73.24622 
1 1 1    3    5   19 o  140.020   9.6837   46.079   6.3361   46.845   8.9562   45.313   8.9651  141.191   13.573  138.849   13.816 2.342041 19.36735 
1 1 1    3    5   20 o  371.597   29.686  337.600   51.548  332.106   72.881  343.101   72.920  368.436   42.326  374.758   41.634 -6.322418 59.37114 
1 1 1    3    5   21 o   95.722   12.078   23.382   4.8131   25.826   5.8749   18.392   8.3936  104.932   11.980   86.513   20.977 18.41849 24.15661 
1 1 1    3    5   22 o  511.316   35.155  649.575   78.492  662.454   96.131  623.815  135.957  523.842   39.266  498.789   58.323 25.05292 70.30981 
1 1 1    3    5   23 o  225.658   17.251  124.297   16.809  132.086   20.591  108.736   29.104  237.081   18.584  214.236   29.068 22.84425 34.50122 
1 1 1    3    5   24 o  294.594   18.904  210.753   22.172  216.505   25.604  193.510   44.335  303.677   18.041  285.510   33.226 18.16696 37.80827 
1 1 1    3    5   25 o  274.186   14.414  182.280   17.733  201.755   22.914  153.205   27.998  293.278   16.718  255.094   23.485 38.18323 28.82731 
1 1 1    3    5   26 o  909.730   46.188  2134.73  185.659  2435.58  239.699  1683.60  293.526  1003.11   51.130  816.347   76.936 186.7665 92.37631 
1 1 1    3    5   27 o  204.014   10.869   95.614   10.237   85.524   13.273  110.431   16.084  191.017   14.868  217.011   15.859 -25.99431 21.73886 
1 1 1    3    5   28 o  711.861   34.286  1207.88  112.330  1137.23  145.015  1313.87  177.616  687.722   45.119  736.000   51.637 -48.27789 68.57164 
1 1 1    3    5   29 o  597.798   30.079  856.961   84.033  865.152  118.841  848.769  118.840  600.730   42.329  594.866   42.747 5.864014 60.15857 
1 1 1    3    5   30 o  665.233   49.731  1124.92  149.940  829.144  211.927  1421.37  212.166  570.014   79.553  760.452   59.698 -190.4383 99.46163 
1 1 1    3    5   31 o  542.458   43.448  734.740  109.350  639.071  154.640  830.420  154.649  504.720   65.559  580.195   57.033 -75.47574 86.89503 
1 1 1    3    5   32 o  260.335   18.228  167.262   18.843  174.012   21.821  147.465   37.370  272.071   17.161  248.600   32.164 23.47125 36.45602 
1 1 1    3    5   33 o  355.021   22.999  297.984   36.163  291.554   44.344  310.752   62.486  350.545   27.068  359.497   37.191 -8.951599 45.99831 
1 1 1    3    5   34 o  171.283   10.875   68.862   8.7015   71.600   12.514   66.299   12.107  174.579   15.338  167.988   15.422 6.592010 21.75050 
1 1 1    3    5   35 o  355.230   17.629  295.740   28.822  280.629   37.241  318.308   45.512  344.397   23.138  366.062   26.603 -21.66519 35.25708 
1 1 1    3    5   36 f  443.633   24.261  474.048   50.204  507.651   71.074  440.588   70.924  459.792   33.076  427.474   35.501 32.31793 48.52117 
1 1 1    3    5   37 o  179.515   12.857   76.150   10.765   72.230   15.426   79.871   15.031  174.940   18.868  184.090   17.470 -9.150497 25.71375 
1 1 1    3    5   38 o  524.429   30.105  627.979   65.705  575.395   75.856  785.975  131.486  488.623   33.218  560.236   50.219 -71.61310 60.21097 
1 1 1    3    5   39 o  454.931   34.750  549.656   67.310  590.417   82.439  468.143  116.580  490.383   35.971  419.478   59.466 70.90475 69.49930 
1 1 1    3    5   40 o  127.072   11.798   38.317   6.9832   34.838   9.8927   41.772   9.8588  121.231   17.461  132.912   15.872 -11.68050 23.59612 
1 1 1    3    5   41 o  499.598   28.377  632.053   65.732  717.178   92.984  547.017   92.935  536.027   37.117  463.169   42.933 72.85736 56.75367 
1 1 1    3    5   42 o  175.469   14.623   71.355   11.632   65.108   14.520   82.549   19.437  165.404   18.783  185.533   22.416 -20.12971 29.24548 
1 1 1    3    5   43 o  357.270   19.104  310.989   31.870  297.041   45.101  324.901   45.042  348.918   27.658  365.623   26.360 -16.70547 38.20746 
1 1 1    3    5   44 o  208.181   12.384  103.364   11.794  103.422   18.681  103.325   15.209  207.793   19.237  208.569   15.603 -0.7756500 24.76892 
1 1 1    3    5   45 o  255.649   14.487  162.264   16.606  138.126   26.279  178.308   21.425  238.029   23.623  273.269   16.776 -35.23991 28.97396 
1 1 1    3    5   46 o  127.534   14.792   41.873   7.0308   36.502   14.554   43.508   8.0300  119.484   26.731  135.583   12.673 -16.09835 29.58317 
1 1 1    3    5   47 o  116.129   12.186   26.135   5.7569   49.932   12.078   19.139   6.5486  144.151   17.928   88.107   16.510 56.04420 24.37224 
1 1 1    3    5   48 o  277.043   20.785  192.894   25.280  197.948   43.999  190.404   30.887  276.067   34.103  278.020   23.772 -1.952240 41.57004 
1 1 1    3    5   49 o  278.881   16.700  192.953   21.754  185.871   30.730  200.068   30.801  273.455   24.045  284.308   23.181 -10.85318 33.39933 
1 1 1    3    5   50 o  165.543   10.354   62.012   7.7099   43.282   9.7793   92.775   12.533  134.084   15.606  197.001   13.613 -62.91675 20.70856 
1 1 1    3    5   51 o  243.000   12.917  139.188   14.448  118.833   18.592  170.215   22.954  221.374   17.971  264.626   18.561 -43.25153 25.83476 
1 1 1    3    5   52 o   74.701   13.192   13.747   4.6217   18.196   7.0404   10.378   6.1266   84.918   18.281   64.483   19.025 20.43495 26.38488 
1 1 1    3    5   53 o  134.312   11.885   43.933   7.4578   42.407   10.457   45.513   10.640  131.888   16.965  136.737   16.649 -4.849152 23.76979 
1 1 1    3    5   54 o   74.603   16.207   13.015   6.1700   8.9508   7.7988   19.816   10.088   62.246   21.760   86.961   24.025 -24.71415 32.41450 
1 1 1    3    5   55 o   91.932   14.415   18.161   6.0969   10.542   7.3725   34.645   10.844   65.434   21.150  118.430   19.592 -52.99651 28.83023 
1 1 1    3    5   56 o  158.307   17.577   68.106   11.407   74.981   13.991   54.469   19.704  175.436   17.064  141.179   30.735 34.25677 35.15429 
1 1 1    3    5   57 o  171.567   14.298   72.230   9.9731   70.555   11.526   77.218   19.896  170.578   14.458  172.557   24.671 -1.979660 28.59519 
1 1 1    3    5   58 o   81.016   15.871   13.175   5.7027   8.5334   6.5329   28.035   11.689   59.543   19.942  102.489   24.695 -42.94547 31.74184 
1 1 1    3    5   59 o  129.127   20.261   46.851   11.982   37.563   17.015   55.989   16.876  114.207   31.058  144.047   26.026 -29.84034 40.52155 
1 1 1    3    5   60 o  144.812   13.250   52.712   8.9664   52.658   12.582   52.768   12.781  144.817   18.591  144.808   18.885 0.9338379E-02 26.50040 
1 1 1    3    5   61 o  156.103   17.560   63.361   11.627   71.937   20.902   59.518   13.992  159.243   29.160  152.964   19.573 6.279221 35.11950 
1 1 1    3    5   62 o   90.531   18.602   22.400   7.9387   26.073   14.059   20.680   9.6191   94.331   29.040   86.732   23.255 7.599869 37.20359 
1 1 1    3    5   63 o  102.653   17.118   30.185   7.1213   31.274   8.0282   26.167   15.424  112.196   15.311   93.110   30.622 19.08605 34.23590 
1 1 1    3    5   64 o   63.894   16.276   10.633   6.6039   14.430   7.8176   1.1734   12.340   72.416   21.523   55.372   24.422 17.04362 32.55208 
1 1 1    3    5   65 o   65.213   17.193   10.743   6.5986   10.657   7.7811   10.963   12.451   63.319   21.758   67.106   26.628 -3.787003 34.38688 
1 1 1    3    5   66 o  103.150   18.573   26.448   8.3948   17.982   9.7764   50.212   16.379   78.340   24.233  127.960   28.154 -49.62005 37.14671 
1 1 1    3    5   67 o   40.766   13.292  -3.0934   5.6526  -3.7748   7.1039  -1.9175   9.3325   37.065   17.188   44.467   20.280 -7.402161 26.58350 
1 1 1    3    5   68 o   77.970   17.192   18.702   6.9516   19.477   9.3970   17.765   10.331   80.220   23.532   75.719   25.069 4.501228 34.38367 
1 1 1    3    5   69 o   51.840   14.940   3.1480   6.3696  -5.8817   8.7037   13.561   9.3464   38.379   18.181   65.301   23.712 -26.92210 29.87998 
1 1 1    3    5   70 o   41.317   13.322  -3.1320   5.7457  -8.8115   7.4775   5.0557   8.9781   32.566   15.792   50.068   21.461 -17.50168 26.64478 
1 1 1    3    5   71 o   42.754   13.416  -0.0538   5.3478  -4.3507   6.8824   6.4943   8.4960   34.518   16.296   50.990   21.317 -16.47185 26.83226 
1 1 1    3    5   72 o   69.148   16.093   17.500   6.2273   19.553   7.8587   14.035   10.209   76.729   21.208   61.567   24.212 15.16241 32.18684 
1 1 1    3    6    0 o  403.650   22.349  390.672   58.784  390.672   58.784  390.672   58.784  403.650   31.607  403.650   31.607 -0.000000 0.000000 
1 1 1    3    6    1 o  452.294   24.383  487.491   51.496  464.285   72.824  510.700   72.829  441.316   35.309  463.273   33.637 -21.95731 48.76672 
1 1 1    3    6    2 o  192.679   12.935   81.653   11.188  108.385   19.423   68.378   13.688  214.708   19.356  170.650   17.162 44.05807 25.86902 
1 1 1    3    6    3 o  543.417   34.037  703.651   86.443   0.0000   0.0000  703.651   86.443  ?   ?   543.417   34.037      ?      ? 
1 1 1    3    6    4 o  108.122   10.919   27.375   5.5174   0.0000   0.0000   27.375   5.5174  ?   ?   108.122   10.919      ?      ? 
1 1 1    3    6    5 o  386.862   24.777  347.184   42.759  393.202   74.044  324.159   52.374  404.438   39.174  369.285   30.347 35.15311 49.55303 
1 1 1    3    6    6 o  173.824   13.360   69.715   10.330   75.590   17.864   66.764   12.661  179.048   21.349  168.599   16.068 10.44881 26.71992 
1 1 1    3    6    8 o  195.593   16.861   90.874   15.336  101.201   21.694   80.558   21.683  206.883   22.437  184.302   25.174 22.58119 33.72129 
1 1 1    3    6    9 o  272.765   19.166  175.530   24.433  175.530   24.433   0.0000   0.0000  272.765   19.166  ?   ?       ?      ? 
1 1 1    3    6   10 o  370.433   23.462  309.821   39.049  259.749   47.828  409.926   67.626  329.019   31.104  411.848   35.134 -82.82861 46.92438 
1 1 1    3    6   11 o  407.427   24.354  376.855   44.561  493.826   77.258  318.543   54.548  451.021   36.653  363.834   32.080 87.18643 48.70877 
1 1 1    3    6   12 o  328.671   22.599  261.578   32.542  254.598   56.394  265.063   39.846  323.667   37.281  333.674   25.552 -10.00729 45.19722 
1 1 1    3    6   13 o  322.225   18.656  247.757   28.020  227.396   39.625  268.120   39.628  308.704   27.466  335.746   25.255 -27.04218 37.31184 
1 1 1    3    6   14 o  176.197   11.285   73.175   9.2638   79.906   13.115   66.474   13.087  184.351   15.222  168.042   16.664 16.30887 22.57001 
1 1 1    3    6   15 o  281.022   20.625  198.889   24.669  217.277   30.210  162.093   42.735  303.049   21.330  258.994   35.306 44.05481 41.24934 
1 1 1    3    6   16 o  345.536   28.685  307.424   41.830  185.713   59.088  429.701   59.225  268.373   48.913  422.700   29.980 -154.3270 57.36951 
1 1 1    3    6   17 o  530.852   40.195  695.579   99.722   0.0000   0.0000  695.579   99.722  ?   ?   530.852   40.195      ?      ? 
1 1 1    3    6   18 o  169.840   16.583   70.266   12.542   53.800   17.731   86.755   17.742  148.093   26.595  191.588   19.815 -43.49544 33.16563 
1 1 1    3    6   19 o  482.940   39.104  588.707   88.183  614.680  124.713  562.737  124.705  494.446   53.970  471.434   56.601 23.01157 78.20723 
1 1 1    3    6   20 o  383.522   27.175  361.101   45.502  369.390   55.717  344.503   78.845  392.892   30.344  374.152   45.090 18.73935 54.34970 
1 1 1    3    6   21 o   72.420   17.589   12.829   5.8938   0.0000   0.0000   12.829   5.8938  ?   ?    72.420   17.589      ?      ? 
1 1 1    3    6   22 o  604.501   44.673  950.973  114.907  1029.39  140.734  794.160  199.015  652.329   46.163  556.672   76.497 95.65704 89.34637 
1 1 1    3    6   23 f  526.870   27.680  664.119   67.976  718.768   96.145  609.498   96.120  549.057   37.468  504.683   40.752 44.37399 55.35915 
1 1 1    3    6   24 o  462.254   29.553  498.705   60.800  471.859   74.446  552.476  105.361  445.482   35.758  479.027   47.063 -33.54584 59.10602 
1 1 1    3    6   25 o  746.687   35.835  1376.74  120.748  1479.92  155.892  1222.02  190.906  786.188   42.428  707.185   57.762 79.00305 71.67017 
1 1 1    3    6   26 o  568.078   33.484  765.808   88.897  765.808   88.897   0.0000   0.0000  568.078   33.484  ?   ?       ?      ? 
1 1 1    3    6   27 o  205.588   15.147  104.294   12.361  109.205   14.332   90.037   24.421  215.872   14.206  195.305   26.756 20.56676 30.29315 
1 1 1    3    6   28 o  593.400   31.589  857.328   85.721  1055.87  121.285  659.159  121.170  664.917   39.030  521.883   49.680 143.0342 63.17757 
1 1 1    3    6   29 o  225.301   18.798  119.219   19.793   0.0000   0.0000  119.219   19.793  ?   ?   225.301   18.798      ?      ? 
1 1 1    3    6   30 o  433.186   48.017  454.516   97.211   0.0000   0.0000  454.516   97.211  ?   ?   433.186   48.017      ?      ? 
1 1 1    3    6   31 o  321.010   26.164  247.505   39.216  236.394   55.630  258.482   55.291  313.622   37.954  328.398   36.025 -14.77637 52.32893 
1 1 1    3    6   32 o  451.360   32.278  511.204   62.905  539.713   77.083  454.369  108.838  474.691   34.746  428.030   54.408 46.66113 64.55652 
1 1 1    3    6   33 o  415.504   22.381  412.986   43.326  450.656   61.377  375.572   61.168  434.821   30.203  396.186   33.036 38.63492 44.76146 
1 1 1    3    6   34 o  341.651   19.111  277.627   30.482  263.769   43.185  291.386   43.031  332.993   27.749  350.310   26.283 -17.31732 38.22103 
1 1 1    3    6   35 o  556.131   28.380  769.428   70.987  837.249   91.666  667.819  112.200  590.798   33.199  521.465   46.039 69.33331 56.76035 
1 1 1    3    6   36 o  375.048   21.399  337.114   37.482  351.394   53.008  322.834   53.006  383.195   29.599  366.901   30.912 16.29410 42.79817 
1 1 1    3    6   37 o  487.370   34.934  605.471   73.665  631.954   90.243  552.586  127.528  510.053   37.858  464.687   58.722 45.36661 69.86771 
1 1 1    3    6   38 o  271.666   18.472  174.387   23.452  174.387   23.452   0.0000   0.0000  271.666   18.472  ?   ?       ?      ? 
1 1 1    3    6   39 o  253.977   24.401  180.771   23.969  214.588   29.362  113.216   41.500  300.066   20.937  207.888   44.082 92.17812 48.80158 
1 1 1    3    6   40 o   76.810   13.347   14.207   4.7706   18.300   7.2600   11.097   6.3287   86.174   18.574   67.446   19.172 18.72810 26.69364 
1 1 1    3    6   41 o  324.451   16.883  249.437   25.242  232.543   32.644  274.562   39.809  311.522   22.422  337.379   25.248 -25.85681 33.76664 
1 1 1    3    6   42 o  219.055   11.903  112.108   12.037  103.343   15.626  124.899   18.878  208.846   16.010  229.264   17.619 -20.41766 23.80594 
1 1 1    3    6   43 o   50.749   12.676   4.9971   4.1040   8.4953   5.1852  -0.8690   6.7147   59.256   17.508   42.243   18.335 17.01315 25.35164 
1 1 1    3    6   44 o  366.685   19.149  332.433   32.053  337.795   41.415  324.425   50.617  372.531   23.788  360.839   30.015 11.69223 38.29863 
1 1 1    3    6   45 o  202.560   13.067   98.567   12.322  109.301   17.549   88.127   17.307  213.706   17.571  191.414   19.346 22.29195 26.13437 
1 1 1    3    6   46 o  118.102   14.976   36.479   6.7376   30.478   13.657   38.409   7.7457  108.895   26.976  127.309   13.018 -18.41368 29.95260 
1 1 1    3    6   47 o  148.631   14.084   51.678   9.2313   59.038   16.393   48.260   11.171  155.378   22.575  141.885   16.846 13.49339 28.16805 
1 1 1    3    6   48 o  227.764   12.752  123.227   13.393  113.690   17.332  137.358   21.098  217.385   17.060  238.143   18.957 -20.75728 25.50325 
1 1 1    3    6   49 o   55.428   13.990   3.4547   4.3076   0.2726   4.9576   13.259   8.7021   37.805   16.069   73.052   22.907 -35.24701 27.98089 
1 1 1    3    6   50 o   52.526   12.758   5.8516   4.1360   9.4977   5.3663   0.5161   6.4915   61.777   17.687   43.276   18.391 18.50138 25.51530 
1 1 1    3    6   51 o  240.599   14.045  142.971   15.355  148.178   19.797  135.109   24.326  247.541   17.113  233.657   22.276 13.88440 28.09070 
1 1 1    3    6   52 o   93.546   11.111   21.449   4.7517   21.950   6.6268   20.918   6.8170   95.462   14.854   91.630   16.527 3.831825 22.22103 
1 1 1    3    6   53 o  166.312   10.301   67.081   7.9226   78.331   11.246   55.995   11.163  180.661   13.319  151.963   15.719 28.69757 20.60273 
1 1 1    3    6   54 o  113.440   10.967   30.107   5.7172   24.872   7.3528   38.111   9.0921  101.380   15.519  125.500   15.502 -24.11979 21.93483 
1 1 1    3    6   55 o   38.966   12.259  -5.1793   5.1730   2.4659   6.3410 -20.3927   8.9449   46.094   18.753   31.838   15.795 14.25604 24.51841 
1 1 1    3    6   56 o   82.739   14.519   17.181   5.6134   13.158   7.4202   22.565   8.5834   71.724   20.875   93.755   20.186 -22.03152 29.03856 
1 1 1    3    6   57 o  142.397   13.974   51.938   8.8446   40.562   12.650   62.817   12.371  124.729   22.531  160.065   16.537 -35.33557 27.94821 
1 1 1    3    6   58 o   72.951   14.316   12.003   5.3616   22.390   8.6207   5.4512   6.8470   92.958   20.403   52.943   20.088 40.01554 28.63260 
1 1 1    3    6   59 o   81.696   14.189   18.638   5.7471   9.3012   9.3799   24.250   7.2719   63.987   23.671   99.404   15.653 -35.41733 28.37813 
1 1 1    3    6   60 o   58.489   14.878   7.5197   5.3255   10.989   7.6645   4.2813   7.4049   65.658   21.585   51.320   20.481 14.33803 29.75555 
1 1 1    3    6   61 o   79.057   17.511   13.950   7.1084   27.580   12.697   7.7279   8.5788   98.620   26.833   59.494   22.507 39.12572 35.02288 
1 1 1    3    6   62 o   61.690   14.343   4.1966   7.0770   20.347   8.9721 -22.3998   11.514   86.415   22.122   36.965   18.262 49.45046 28.68566 
1 1 1    3    6   63 o   47.788   14.258   1.8668   5.6068   5.6747   6.4465  -9.9603   11.361   51.678   19.520   43.898   20.789 7.780567 28.51694 
1 1 1    3    6   64 o   48.414   20.725   1.9579   8.3536   1.9579   8.3536   0.0000   0.0000   48.414   20.725  ?   ?       ?      ? 
1 1 1    3    6   65 o   48.474   14.469   1.8560   6.0048   6.6534   6.9139 -12.8721   12.114   53.914   20.247   43.034   20.676 10.87998 28.93825 
1 1 1    3    6   66 o   73.073   17.756   15.201   7.0995   18.715   11.870   13.244   8.8587   77.970   26.869   68.176   23.220 9.794113 35.51209 
1 1 1    3    6   67 o   70.328   16.273   14.401   6.8276   5.8547   9.8147   22.415   9.5042   54.662   22.887   85.994   23.140 -31.33217 32.54626 
1 1 1    3    6   68 o   94.406   16.988   27.321   7.5197   26.185   10.705   28.427   10.565   91.914   24.483   96.898   23.559 -4.983559 33.97659 
1 1 1    3    6   69 o   40.520   13.198  -2.2196   5.7943  -3.6956   8.1567  -0.7161   8.2324   38.887   18.162   42.154   19.156 -3.267288 26.39677 
1 1 1    3    6   70 o   62.833   17.578   13.219   7.3671   14.161   13.278   12.800   8.8552   63.368   26.581   62.298   23.008 1.070065 35.15581 
1 1 1    3    6   71 o   46.435   14.268   3.6326   5.7682   3.0948   8.2332   4.1511   8.0837   45.818   20.086   47.051   20.269 -1.233387 28.53548 
1 1 1    3    6   72 o   49.846   14.601   4.9212   6.0493   13.879   8.9122  -2.7318   8.2374   61.450   23.005   38.242   17.985 23.20776 29.20106 
1 1 1    3    7    3 o  313.524   35.485  236.397   51.995   0.0000   0.0000  236.397   51.995  ?   ?   313.524   35.485      ?      ? 
1 1 1    3    7    4 o  256.316   29.656  156.766   35.524   0.0000   0.0000  156.766   35.524  ?   ?   256.316   29.656      ?      ? 
1 1 1    3    7    5 o  299.025   20.090  211.190   26.577  206.924   32.559  219.706   46.007  295.485   23.578  302.564   32.536 -7.079285 40.18088 
1 1 1    3    7    6 o  207.170   17.800  102.006   17.231  103.784   24.314  100.211   24.423  209.023   24.890  205.318   25.452 3.705200 35.59961 
1 1 1    3    7    7 o  309.405   23.749  227.199   34.342  227.199   34.342   0.0000   0.0000  309.405   23.749  ?   ?       ?      ? 
1 1 1    3    7    8 o  256.948   20.171  156.087   24.222  156.087   24.222   0.0000   0.0000  256.948   20.171  ?   ?       ?      ? 
1 1 1    3    7    9 o  600.565   34.155  901.486   95.496  815.953  135.042  987.042  135.061  570.090   50.686  631.040   45.796 -60.95044 68.31058 
1 1 1    3    7   10 o  124.875   13.675   41.909   6.7880   49.322   8.3166   27.115   11.749  144.971   12.275  104.779   24.441 40.19186 27.34994 
1 1 1    3    7   11 o  465.378   23.200  526.541   49.596  417.981   70.120  635.225   70.160  415.440   36.115  515.317   29.132 -99.87662 46.40015 
1 1 1    3    7   12 o  294.407   16.585  205.719   22.782  192.259   32.216  219.184   32.223  284.623   24.219  304.191   22.666 -19.56799 33.17076 
1 1 1    3    7   13 o  457.533   31.895  513.818   64.241  522.772  111.302  509.346   78.666  456.475   52.173  458.590   36.705 -2.114929 63.79037 
1 1 1    3    7   14 f  159.779   13.861   63.095   9.4741   53.075   16.476   68.045   11.580  149.458   23.587  170.100   14.567 -20.64182 27.72281 
1 1 1    3    7   15 o   93.547   9.4944   20.011   3.9057   22.242   6.9521   18.983   4.7212   97.163   15.310   89.931   11.233 7.231644 18.98876 
1 1 1    3    7   16 o  189.411   17.919   88.839   14.751   59.947   20.811  118.010   20.911  155.549   29.711  223.274   20.040 -67.72530 35.83794 
1 1 1    3    7   17 o  285.342   23.112  196.116   30.732  179.312   43.435  212.962   43.488  272.730   34.078  297.953   31.230 -25.22357 46.22353 
1 1 1    3    7   18 o  179.357   12.712   71.120   10.223   60.325   12.486   93.068   17.804  160.093   16.688  198.620   19.180 -38.52699 25.42362 
1 1 1    3    7   19 o  444.009   29.962  479.527   58.589  475.477   71.743  487.636  101.515  444.438   34.540  443.580   48.968 0.8578491 59.92441 
1 1 1    3    7   20 o  166.477   15.501   71.740   10.427   81.245   12.773   52.755   18.053  186.060   14.689  146.895   27.301 39.16478 31.00178 
1 1 1    3    7   21 o  477.719   37.277  557.509   83.088  521.900  117.476  593.152  117.531  461.767   54.436  493.671   50.942 -31.90399 74.55389 
1 1 1    3    7   22 o  339.809   26.991  276.833   42.514  236.888   60.109  316.817   60.138  314.646   40.877  364.973   35.257 -50.32687 53.98117 
1 1 1    3    7   23 o  368.463   40.870  324.495   70.379   0.0000   0.0000  324.495   70.379  ?   ?   368.463   40.870      ?      ? 
1 1 1    3    7   24 o  204.128   12.282   98.977   11.489   76.607   16.223  121.489   16.274  180.606   19.220  227.650   15.296 -47.04388 24.56355 
1 1 1    3    7   25 o  249.595   14.621  146.781   16.996  132.879   24.053  160.642   24.019  237.693   21.653  261.496   19.654 -23.80298 29.24231 
1 1 1    3    7   26 o  492.821   27.527  586.852   62.127  454.852   87.846  718.938   87.874  435.492   43.162  550.149   34.177 -114.6573 55.05496 
1 1 1    3    7   27 o  514.869   23.764  623.427   56.255  597.038   72.619  663.025   88.957  502.005   30.953  527.732   36.068 -25.72702 47.52876 
1 1 1    3    7   28 o  380.355   24.875  328.065   42.434  401.406   73.448  291.321   51.987  410.154   38.317  350.556   31.732 59.59851 49.75065 
1 1 1    3    7   29 o  447.020   49.509  484.685  103.431  484.685  103.431   0.0000   0.0000  447.020   49.509  ?   ?       ?      ? 
1 1 1    3    7   30 o  553.051   44.124  774.191  112.277  920.282  158.819  628.229  158.749  609.539   55.752  496.563   68.406 112.9758 88.24767 
1 1 1    3    7   31 o  199.040   17.863   93.184   16.617   93.184   16.617   0.0000   0.0000  199.040   17.863  ?   ?       ?      ? 
1 1 1    3    7   32 o  211.205   12.730  105.074   12.500  119.192   17.897   91.629   17.465  225.149   17.009  197.261   18.945 27.88843 25.45979 
1 1 1    3    7   33 o  471.209   21.232  526.820   45.912  514.805   59.264  544.855   72.611  465.378   27.248  477.039   32.569 -11.66104 42.46417 
1 1 1    3    7   34 o  504.001   26.324  626.563   59.827  676.013   77.251  552.457   94.568  531.826   31.081  476.176   42.495 55.64935 52.64796 
1 1 1    3    7   35 o  327.987   18.657  256.390   28.532  236.421   40.332  276.395   40.368  314.951   27.401  341.024   25.329 -26.07275 37.31444 
1 1 1    3    7   36 o  278.367   14.708  185.445   18.623  193.759   24.065  173.035   29.402  286.661   17.963  270.073   23.294 16.58810 29.41585 
1 1 1    3    7   37 o  499.272   31.832  619.689   63.683  622.070   73.531  612.543  127.384  508.732   30.927  489.811   55.647 18.92056 63.66383 
1 1 1    3    7   38 o  354.266   22.953  302.320   32.942  298.361   38.034  314.207   65.911  353.413   23.027  355.120   39.713 -1.707153 45.90662 
1 1 1    3    7   39 o   35.750   11.177  -6.4841   4.5628   2.4143   5.4605 -27.0727   8.3059   44.196   17.603   27.304   13.779 16.89240 22.35464 
1 1 1    3    7   40 o  112.597   11.987   31.369   5.9364   23.038   8.6005   38.950   8.2042   96.684   19.702  128.510   13.660 -31.82635 23.97470 
1 1 1    3    7   41 o  108.104   11.001   27.630   5.5545   29.027   7.9835   26.320   7.7331  110.760   15.423  105.447   15.692 5.313171 22.00238 
1 1 1    3    7   42 o  245.572   13.271  143.269   14.970  140.839   19.389  146.854   23.555  243.441   17.042  247.704   20.347 -4.263763 26.54128 
1 1 1    3    7   43 f  114.196   10.478   31.848   5.4221   37.582   7.3263   24.903   8.0624  126.152   12.426  102.240   16.873 23.91179 20.95535 
1 1 1    3    7   44 o   37.330   11.243  -0.0801   3.5038   1.7162   4.5154  -2.7986   5.5549   39.445   15.904   35.216   15.895 4.228764 22.48561 
1 1 1    3    7   45 o   87.449   14.214   17.103   5.6682   29.186   9.6041   10.644   7.0215  108.560   19.653   66.338   20.540 42.22209 28.42767 
1 1 1    3    7   46 o   81.452   15.535   17.179   5.8753   13.903   10.481   18.679   7.0948   76.258   25.250   86.646   18.104 -10.38763 31.06984 
1 1 1    3    7   47 o   85.798   17.200   18.674   7.3425   14.263   10.482   22.924   10.288   76.792   25.243   94.803   23.369 -18.01092 34.39993 
1 1 1    3    7   48 o  144.565   13.597   47.134   8.8425   36.904   10.887   66.971   15.159  123.280   18.895  165.850   19.558 -42.57030 27.19440 
1 1 1    3    7   49 o  222.905   14.181  121.932   14.767  125.372   20.836  118.462   20.930  226.247   19.706  219.563   20.397 6.683563 28.36129 
1 1 1    3    7   50 o   74.182   13.864   14.863   6.1231   23.116   7.3439  -3.9572   11.090   97.999   16.035   50.365   22.621 47.63347 27.72738 
1 1 1    3    7   51 o  147.394   11.648   55.824   7.4866   39.441   11.677   67.260   9.7558  126.790   19.705  167.997   12.426 -41.20747 23.29589 
1 1 1    3    7   52 o  134.923   11.418   46.069   6.8216   36.696   10.819   52.255   8.7889  122.082   18.962  147.764   12.727 -25.68152 22.83683 
1 1 1    3    7   53 o   94.848   12.841   22.674   5.4830   21.979   7.6331   23.416   7.8810   93.312   18.157   96.383   18.162 -3.071014 25.68138 
1 1 1    3    7   54 o  115.921   16.532   37.965   8.1797   44.438   10.025   25.072   14.149  135.397   15.842   96.445   29.021 38.95238 33.06325 
1 1 1    3    7   55 o   80.943   17.734   14.712   8.0447   27.473   12.273   5.0993   10.652  101.761   25.777   60.125   24.363 41.63599 35.46880 
1 1 1    3    7   56 o   54.536   15.713   4.2826   6.0227   0.7280   11.267   5.7045   7.1262   55.070   23.826   54.001   20.493 1.068550 31.42678 
1 1 1    3    7   57 o   97.055   16.002   21.299   6.2547   32.797   13.204   17.972   7.1020  110.340   26.027   83.770   18.623 26.56981 32.00377 
1 1 1    3    7   58 o  102.986   12.257   26.468   5.7201   27.068   8.6934   26.010   7.5962  102.897   18.769  103.076   15.769 -0.1784515 24.51402 
1 1 1    3    7   59 o   51.474   14.050   5.0031   4.7660   4.3276   7.3501   5.4933   6.2606   51.382   20.436   51.567   19.286 -0.1857147 28.09988 
1 1 1    3    7   60 o   59.021   15.260   7.9951   5.2773   6.4757   9.5947   8.6541   6.3190   59.017   23.388   59.025   19.609 -0.8243561E-02 30.52095 
1 1 1    3    7   61 o   37.296   16.725  -1.9304   6.0377   0.0000   0.0000  -1.9304   6.0377  ?   ?    37.296   16.725      ?      ? 
1 1 1    3    7   62 o   73.338   16.564   14.596   6.4088   14.612   9.1331   14.581   8.9951   73.372   23.522   73.304   23.327 0.6835938E-01 33.12749 
1 1 1    3    7   63 o   57.267   15.083   6.1750   6.5485   13.403   7.7028 -12.6658   12.436   70.258   21.473   44.276   21.186 25.98286 30.16545 
1 1 1    3    7   64 o   58.242   16.929   5.3091   6.9611   2.6876   8.4126   11.002   12.397   49.498   20.981   66.986   26.573 -17.48767 33.85718 
1 1 1    3    7   65 o   61.518   14.019   9.1692   5.2691   16.562   7.3101   1.1755   7.6016   77.565   20.027   45.470   19.621 32.09582 28.03735 
1 1 1    3    7   66 o   60.822   14.171   9.4671   5.4153   16.626   7.3454   0.9433   8.0150   76.378   20.249   45.265   19.831 31.11308 28.34275 
1 1 1    3    7   67 o   37.338   12.062  -3.3234   4.8633   0.5244   6.5620  -8.0124   7.2439   41.157   17.990   33.519   16.073 7.637283 24.12427 
1 1 1    3    7   68 o   49.795   13.681   2.6872   5.5616  -8.5698   8.1693   12.411   7.5928   35.187   16.924   64.403   21.499 -29.21632 27.36112 
1 1 1    3    7   69 o   56.812   15.610   8.6496   6.0246   13.775   9.1864   4.7810   7.9806   64.884   23.516   48.740   20.535 16.14369 31.21971 
1 1 1    3    7   70 o   78.432   18.963   21.013   8.1172   14.035   9.9004   35.324   14.178   63.634   24.153   93.230   29.239 -29.59519 37.92521 
1 1 1    3    7   71 o   53.324   16.647   4.9991   8.7622   14.152   11.885  -5.8977   12.968   62.184   25.529   44.464   21.370 17.72010 33.29339 
1 1 1    3    7   72 o   36.305   12.041  -3.1527   5.2884  -7.7060   8.0135   0.3605   7.0389   33.597   16.305   39.014   17.723 -5.417156 24.08187 
1 1 1    3    8    0 o  312.994   26.929  243.287   53.507  243.287   53.507  243.287   53.507  312.994   38.083  312.994   38.083 -0.000000 0.000000 
1 1 1    3    8    1 o   90.595   11.919   19.720   4.9329   21.303   6.9397   18.103   7.0133   95.149   15.606   86.040   18.019 9.109215 23.83744 
1 1 1    3    8    2 o  437.280   30.415  469.519   58.487  473.586  101.328  467.487   71.623  434.902   49.853  439.658   34.857 -4.755951 60.83087 
1 1 1    3    8    3 o  366.773   23.353  328.506   34.273  315.536   68.559  332.827   39.572  358.901   40.874  374.645   22.601 -15.74332 46.70618 
1 1 1    3    8    4 o  180.472   11.490   76.400   9.6915   0.0000   0.0000   76.400   9.6915  ?   ?   180.472   11.490      ?      ? 
1 1 1    3    8    5 o  332.802   20.759  271.069   27.557  253.692   55.064  276.875   31.829  323.340   36.439  342.264   19.899 -18.92422 41.51824 
1 1 1    3    8    6 o  466.267   22.536  528.355   47.784  496.701   75.545  549.466   61.693  452.817   35.698  479.717   27.517 -26.89920 45.07259 
1 1 1    3    8    7 o  250.005   23.852  179.417   22.329  221.227   27.354   95.911   38.658  306.106   19.121  193.905   43.704 112.2008 47.70389 
1 1 1    3    8    8 o  160.404   10.935   60.752   8.1505   53.340   11.530   68.154   11.523  150.524   16.390  170.284   14.479 -19.76070 21.86975 
1 1 1    3    8    9 o  269.600   17.174  165.629   20.711  150.373   25.346  196.283   35.929  252.119   21.511  287.082   26.779 -34.96318 34.34874 
1 1 1    3    8   10 o  320.731   18.195  244.625   27.271  241.861   38.567  247.389   38.568  318.887   25.878  322.575   25.583 -3.688324 36.38940 
1 1 1    3    8   11 o  248.306   19.516  155.005   20.624  126.270   35.743  169.347   25.252  228.924   33.408  267.689   20.184 -38.76511 39.03237 
1 1 1    3    8   12 o  204.073   16.078  101.734   14.201   91.044   24.624  107.061   17.383  195.132   27.001  213.014   17.462 -17.88202 32.15566 
1 1 1    3    8   13 o  279.480   21.480  197.532   25.603  163.753   44.358  214.408   31.353  258.672   36.693  300.288   22.341 -41.61588 42.95926 
1 1 1    3    8   14 o  101.244   12.677   24.671   5.8416   27.701   8.2929   21.686   8.2298  108.406   16.369   94.082   19.363 14.32359 25.35452 
1 1 1    3    8   15 o  247.295   20.584  146.686   23.674  130.343   33.466  163.054   33.494  233.145   30.714  261.444   27.412 -28.29858 41.16792 
1 1 1    3    8   16 o  751.676   55.466  1522.80  182.427  1510.50  223.418  1547.40  315.996  766.181   62.394  737.171   91.721 29.00970 110.9315 
1 1 1    3    8   17 o  262.181   16.458  167.176   18.710  175.303   22.908  150.891   32.429  272.745   17.971  251.616   27.578 21.12918 32.91641 
1 1 1    3    8   18 o  201.207   18.669  108.925   14.736  128.141   18.059   70.630   25.493  233.455   16.552  168.959   33.469 64.49667 37.33791 
1 1 1    3    8   19 o  359.236   28.720  316.394   46.626  406.794   65.977  226.202   65.901  413.014   34.181  305.458   46.163 107.5553 57.44034 
1 1 1    3    8   20 o  535.497   42.112  705.895  105.383  715.924  149.034  695.866  149.034  539.504   59.108  531.489   60.000 8.014832 84.22441 
1 1 1    3    8   21 o  847.590   70.507  1917.55  276.917  1664.09  391.591  2171.08  391.649  783.606  106.928  911.575   91.931 -127.9698 141.0140 
1 1 1    3    8   22 f  413.175   28.417  417.121   50.983  380.725   88.314  435.314   62.437  397.566   47.531  428.784   31.158 -31.21835 56.83314 
1 1 1    3    8   23 o  725.189   58.436  1345.08  197.697  1260.16  279.570  1430.02  279.602  700.134   85.441  750.244   79.743 -50.11005 116.8724 
1 1 1    3    8   24 o  329.530   22.455  251.178   32.937  238.132   40.335  277.287   57.059  317.604   27.174  341.455   35.756 -23.85178 44.91011 
1 1 1    3    8   25 f  710.338   56.939  1287.84  188.933  1245.19  267.147  1330.52  267.237  697.498   81.953  723.177   79.070 -25.67896 113.8783 
1 1 1    3    8   26 o  1124.41   64.794  3317.03  339.452  3583.84  480.066  3050.24  480.049  1175.18   87.409  1073.64   95.671 101.5378 129.5889 
1 1 1    3    8   27 o  566.681   41.622  769.109  110.231   0.0000   0.0000  769.109  110.231  ?   ?   566.681   41.622      ?      ? 
1 1 1    3    8   28 o  232.474   19.474  127.829   21.145  132.976   29.904  122.682   29.902  237.212   26.974  227.737   28.095 9.474655 38.94796 
1 1 1    3    8   29 o  160.189   21.575   60.501   16.152   60.501   16.152   0.0000   0.0000  160.189   21.575  ?   ?       ?      ? 
1 1 1    3    8   30 o  543.885   43.718  745.798  111.111  758.784  157.147  732.816  157.123  548.989   61.249  538.780   62.400 10.20941 87.43700 
1 1 1    3    8   31 o  144.391   9.7920   49.847   6.3863   53.017   8.2068   44.979   10.168  150.408   11.675  138.374   15.723 12.03407 19.58399 
1 1 1    3    8   32 o  223.852   12.127  115.038   12.523  100.202   16.207  137.018   19.727  206.406   16.801  241.298   17.493 -34.89192 24.25467 
1 1 1    3    8   33 o  494.788   39.044  650.179   81.088  719.918   99.301  510.604  140.481  545.414   38.957  444.162   67.676 101.2524 78.08772 
1 1 1    3    8   34 o  292.835   13.488  199.500   18.180  187.306   23.458  217.839   28.768  281.961   17.801  303.708   20.268 -21.74677 26.97554 
1 1 1    3    8   35 o  208.063   16.621  104.416   15.066  107.644   18.426   97.904   26.167  213.607   18.458  202.520   27.647 11.08691 33.24215 
1 1 1    3    8   36 o  141.165   11.288   47.075   7.4168   51.288   10.401   42.717   10.579  147.669   15.071  134.661   16.810 13.00844 22.57689 
1 1 1    3    8   37 o  579.370   33.512  790.122   80.765  719.312   93.239  1002.92  161.635  540.537   36.909  618.204   55.945 -77.66675 67.02322 
1 1 1    3    8   38 o  167.289   14.090   67.583   9.3732   68.505   10.784   64.732   18.954  170.486   13.535  164.092   24.716 6.393829 28.17951 
1 1 1    3    8   39 o  233.014   20.087  129.400   21.875  129.400   21.875   0.0000   0.0000  233.014   20.087  ?   ?       ?      ? 
1 1 1    3    8   40 o  285.592   16.807  196.161   22.432  194.135   31.724  198.187   31.723  284.074   23.895  287.110   23.642 -3.036102 33.61439 
1 1 1    3    8   41 o   65.077   13.179   10.342   4.2120   10.014   6.1215   10.637   5.8044   64.300   19.030   65.854   18.236 -1.554054 26.35708 
1 1 1    3    8   42 o  115.196   10.969   31.254   5.5131   20.590   7.2803   45.591   8.4412   91.474   17.669  138.918   13.002 -47.44383 21.93751 
1 1 1    3    8   43 o  214.998   12.049  109.402   11.926  104.892   15.449  116.054   18.763  209.902   15.748  220.094   18.241 -10.19189 24.09845 
1 1 1    3    8   44 o  304.504   17.847  227.576   25.395  224.250   35.951  230.888   35.877  302.156   25.459  306.852   25.018 -4.696442 35.69384 
1 1 1    3    8   45 o  162.544   24.617   64.931   18.700   0.0000   0.0000   64.931   18.700  ?   ?   162.544   24.617      ?      ? 
1 1 1    3    8   46 o   83.287   13.492   17.369   5.1333   17.712   7.4679   17.061   7.0678   84.016   19.410   82.558   18.746 1.458282 26.98442 
1 1 1    3    8   47 o  158.313   14.314   59.154   10.178   54.537   12.554   68.006   17.384  150.297   17.873  166.329   22.364 -16.03250 28.62792 
1 1 1    3    8   48 o   78.716   14.578   14.093   4.9930   11.733   5.8488   20.435   9.5871   68.318   18.049   89.114   22.897 -20.79506 29.15503 
1 1 1    3    8   49 o   61.375   11.938   7.7137   3.9426   1.8378   5.0849   16.571   6.2430   41.346   16.804   81.405   16.960 -40.05917 23.87529 
1 1 1    3    8   50 o  143.535   11.935   49.709   7.9993   52.432   11.582   47.225   11.062  147.303   16.823  139.766   16.935 7.537430 23.87085 
1 1 1    3    8   51 o  189.951   13.279   88.662   11.728   99.287   16.679   78.272   16.494  201.735   17.691  178.167   19.808 23.56787 26.55844 
1 1 1    3    8   52 o   79.328   12.959   15.386   4.7123   11.322   6.1276   21.269   7.3719   66.828   18.819   91.828   17.820 -24.99941 25.91770 
1 1 1    3    8   53 o  139.929   12.278   47.793   8.0222   47.793   11.589   47.793   11.116  139.799   17.737  140.059   16.983 -0.2591400 24.55659 
1 1 1    3    8   54 o   73.559   16.445   13.452   6.0747   13.957   10.665   13.209   7.3907   75.143   25.478   71.975   20.800 3.167358 32.89034 
1 1 1    3    8   55 o   67.956   16.988   10.267   6.2022   12.451   11.830   9.4397   7.2835   73.240   26.664   62.671   21.056 10.56870 33.97536 
1 1 1    3    8   56 o   63.821   13.354   10.564   4.7079   3.4000   7.5124   15.196   6.0414   50.410   20.448   77.232   17.181 -26.82232 26.70801 
1 1 1    3    8   57 o   58.849   13.213   8.4684   4.5506   1.5048   7.3344   12.827   5.8024   46.849   19.709   70.849   17.602 -23.99993 26.42505 
1 1 1    3    8   58 o  147.843   11.126   52.250   7.5856   64.702   11.862   43.634   9.8668  162.404   15.628  133.281   15.840 29.12300 22.25223 
1 1 1    3    8   59 o   33.192   11.111  -7.1418   4.6361 -10.8164   7.0887  -4.3952   6.1285   31.791   15.407   34.593   16.014 -2.801811 22.22204 
1 1 1    3    8   60 o   88.344   14.699   18.859   5.7680   28.587   10.093   14.140   7.0290  103.569   21.552   73.120   19.994 30.44898 29.39870 
1 1 1    3    8   61 o   49.480   14.653   3.0485   5.2296  -0.4079   10.628   4.1529   6.0073   51.207   22.620   47.752   18.633 3.454533 29.30618 
1 1 1    3    8   62 o   63.987   17.764   8.1942   7.1794   12.351   13.306   6.4872   8.5270   71.310   27.757   56.665   22.175 14.64528 35.52700 
1 1 1    3    8   63 o   79.189   16.437   11.417   5.4845   6.9399   6.0339   32.697   13.154   53.523   19.100  104.855   26.756 -51.33192 32.87373 
1 1 1    3    8   64 o   55.362   14.473   5.9300   5.2056   1.2719   6.8843   12.150   7.9551   43.979   18.820   66.746   21.993 -22.76717 28.94626 
1 1 1    3    8   65 o   61.514   13.533   9.8808   4.8352   3.0593   7.0898   15.813   6.6112   46.985   19.543   76.044   18.727 -29.05931 27.06689 
1 1 1    3    8   66 o   49.135   14.058   3.7780   4.9750   8.6768   8.0739   0.7796   6.3166   57.505   21.815   40.764   17.738 16.74173 28.11657 
1 1 1    3    8   67 o   75.110   13.363   15.633   5.0411   24.135   7.3534   8.0934   6.9245   94.502   17.287   55.718   20.383 38.78395 26.72595 
1 1 1    3    8   68 o   64.602   15.184   12.909   5.3886   13.967   7.3206   11.658   7.9607   67.462   20.987   61.742   21.949 5.719627 30.36781 
1 1 1    3    8   69 o   60.025   15.564   11.100   5.7338   13.912   8.5265   8.7789   7.7470   65.048   22.752   55.001   21.243 10.04702 31.12759 
1 1 1    3    8   70 o   65.572   16.276   14.663   6.1698   14.308   9.3239   14.940   8.2290   64.369   23.636   66.774   22.381 -2.405518 32.55118 
1 1 1    3    8   71 f   68.952   13.871   16.156   5.5334   24.016   7.3657   5.9729   8.3835   89.027   18.314   48.878   20.838 40.14890 27.74264 
1 1 1    3    9    0 o  737.663   41.322  1353.66  198.557  1353.66  198.557  1353.66  198.557  737.663   58.439  737.663   58.439 -0.000000 0.000000 
1 1 1    3    9    1 o  258.204   14.097  159.869   16.601  199.939   23.509  120.017   23.445  291.315   17.268  225.092   22.287 66.22359 28.19354 
1 1 1    3    9    2 o  694.788   35.080  1236.36  109.174  1057.88  172.613  1355.36  140.946  644.504   57.307  745.072   40.477 -100.5677 70.16013 
1 1 1    3    9    3 o  212.977   15.946  116.405   13.090   91.247   26.160  124.808   15.118  195.458   28.638  230.496   14.035 -35.03870 31.89216 
1 1 1    3    9    4 o  711.834   45.102  1272.12  130.430  1397.20  260.889  1230.43  150.601  717.401   77.813  706.267   45.626 11.13458 90.20303 
1 1 1    3    9    5 o  348.151   19.237  288.876   31.288  279.281   44.229  298.488   44.266  342.251   27.651  354.050   26.753 -11.79843 38.47466 
1 1 1    3    9    6 o  750.793   32.248  1423.72  108.831  1239.53  172.061  1546.55  140.508  703.029   52.368  798.557   37.649 -95.52820 64.49687 
1 1 1    3    9    7 o  332.648   22.656  262.674   33.350  256.120   40.837  275.797   57.786  327.894   26.649  337.402   36.647 -9.507965 45.31164 
1 1 1    3    9    8 o  538.013   28.118  708.819   70.429  640.386   99.596  777.268   99.608  510.794   41.721  565.231   37.707 -54.43634 56.23576 
1 1 1    3    9    9 o  228.897   20.459  139.319   18.662   97.713   32.315  160.139   22.860  197.510   36.348  260.284   18.792 -62.77501 40.91843 
1 1 1    3    9   10 o  492.276   38.967  668.777   79.471  506.539  137.637  749.914   97.335  431.654   68.227  552.897   37.669 -121.2430 77.93499 
1 1 1    3    9   11 o  677.664   63.841  1369.97  202.166  1351.36  285.904  1388.57  285.908  671.792   91.063  683.536   89.500 -11.74408 127.6822 
1 1 1    3    9   12 o  114.679   13.411   31.796   6.9332   26.043   9.7917   37.579   9.8184  103.068   21.040  126.290   16.635 -23.22205 26.82155 
1 1 1    3    9   13 o  334.530   38.014  271.655   59.432  271.655   59.432   0.0000   0.0000  334.530   38.014  ?   ?       ?      ? 
1 1 1    3    9   14 o  350.358   39.684  298.583   64.979   0.0000   0.0000  298.583   64.979  ?   ?   350.358   39.684      ?      ? 
1 1 1    3    9   15 o  109.134   12.997   28.484   6.4922   29.574   9.2162   27.411   9.1469  112.047   17.600  106.221   19.129 5.825378 25.99373 
1 1 1    3    9   16 o  647.382   50.986  1037.10  154.260  1037.10  154.260   0.0000   0.0000  647.382   50.986  ?   ?       ?      ? 
1 1 1    3    9   17 o  935.627   97.294  3006.75  336.942  3609.30  412.685  1801.95  583.552  1184.62   74.541  686.628  179.746 497.9973 194.5890 
1 1 1    3    9   18 o  706.195   57.435  1286.34  189.050  1187.70  267.343  1385.00  267.371  676.308   84.583  736.081   77.722 -59.77222 114.8694 
1 1 1    3    9   19 o  555.763   43.665  761.104  113.403  772.804  160.381  749.405  160.371  560.266   61.251  551.260   62.248 9.007019 87.33025 
1 1 1    3    9   20 o  615.833   44.929  1045.56  111.066  669.287  192.324  1233.84  136.045  513.051   80.210  718.616   40.508 -205.5654 89.85872 
1 1 1    3    9   21 o  545.357   38.156  735.431   90.509  684.708  156.786  760.782  110.843  526.905   63.670  563.809   42.066 -36.90485 76.31116 
1 1 1    3    9   22 o  799.821   54.842  1606.01  193.202  1657.06  334.663  1580.48  236.613  799.009   89.622  800.632   63.236 -1.623230 109.6850 
1 1 1    3    9   23 o  617.384   39.691  944.861  106.680  885.338  184.732  974.644  130.671  597.479   66.157  637.290   43.873 -39.81085 79.38268 
1 1 1    3    9   24 o  538.583   37.046  708.298   87.427  692.459  151.476  716.209  107.060  530.371   61.111  546.795   41.895 -16.42371 74.09277 
1 1 1    3    9   25 o  368.761   18.715  321.198   32.222  337.184   45.543  305.177   45.594  378.049   25.777  359.474   27.139 18.57562 37.42972 
1 1 1    3    9   26 o  821.870   55.365  1691.20  201.294  1806.50  348.621  1633.53  246.545  832.123   89.645  811.617   64.998 20.50592 110.7290 
1 1 1    3    9   27 o  725.714   58.659  1379.18  194.700  1674.49  275.390  1084.05  275.305  812.747   72.502  638.681   92.233 174.0660 117.3181 
1 1 1    3    9   28 o  257.562   29.984  157.769   36.092  157.769   36.092   0.0000   0.0000  257.562   29.984  ?   ?       ?      ? 
1 1 1    3    9   29 o  235.375   20.150  130.546   22.165  130.546   22.165   0.0000   0.0000  235.375   20.150  ?   ?       ?      ? 
1 1 1    3    9   30 o  562.044   29.682  767.698   77.700  838.168  109.871  697.194  109.897  588.881   39.922  535.207   43.936 53.67419 59.36475 
1 1 1    3    9   31 o  272.111   14.953  174.822   19.012  170.190   26.817  179.503   26.959  268.457   21.374  275.766   20.918 -7.308594 29.90649 
1 1 1    3    9   32 o   80.635   11.367   15.483   4.1951   11.582   5.7109   20.054   6.1827   68.851   17.662   92.418   14.315 -23.56625 22.73436 
1 1 1    3    9   33 o  306.847   17.201  223.449   24.659  229.332   34.823  217.533   34.924  310.968   23.961  302.727   24.685 8.241364 34.40189 
1 1 1    3    9   34 o  715.357   69.799  1640.24  189.699  1105.23  328.508  1907.89  232.355  566.525  127.191  864.188   57.531 -297.6628 139.5973 
1 1 1    3    9   35 o  345.525   17.008  278.905   27.064  258.023   34.909  310.364   42.847  329.900   22.642  361.150   25.386 -31.25027 34.01582 
1 1 1    3    9   36 o  261.599   25.031  198.141   22.777  223.572   26.287  121.526   45.626  307.370   18.299  215.828   46.598 91.54225 50.06258 
1 1 1    3    9   37 o   39.143   11.186   0.1073   3.7466   4.6829   4.1809 -18.5460   8.4415   46.515   15.951   31.772   15.685 14.74301 22.37105 
1 1 1    3    9   38 o  198.241   18.166   93.323   16.830   93.323   16.830   0.0000   0.0000  198.241   18.166  ?   ?       ?      ? 
1 1 1    3    9   39 o  215.795   13.718  110.976   13.825  106.684   19.611  115.217   19.493  211.552   19.836  220.038   18.955 -8.486496 27.43644 
1 1 1    3    9   40 o  415.075   23.749  427.803   46.054  415.828   65.116  439.788   65.144  408.905   34.074  421.245   33.090 -12.33994 47.49720 
1 1 1    3    9   41 o  203.903   13.231  106.323   11.689  128.555   15.145   73.577   18.381  233.134   13.901  174.672   22.517 58.46173 26.46204 
1 1 1    3    9   42 o   55.181   11.305   6.1661   3.9658   13.683   5.2731  -3.6227   6.0173   74.506   15.642   35.856   16.326 38.65010 22.60975 
1 1 1    3    9   43 o  119.929   12.701   35.845   6.7077   26.501   9.6845   44.462   9.2995  103.049   20.825  136.810   14.545 -33.76085 25.40153 
1 1 1    3    9   44 o  213.280   13.620  109.707   13.548  101.919   19.165  117.486   19.155  205.470   19.958  221.090   18.538 -15.62053 27.23926 
1 1 1    3    9   45 o  287.295   21.416  207.491   27.003  213.001   47.028  204.781   32.982  286.293   35.148  288.297   24.479 -2.003876 42.83221 
1 1 1    3    9   46 o  190.626   15.034   84.924   12.854   76.035   15.768  102.533   22.193  177.214   19.039  204.039   23.274 -26.82491 30.06892 
1 1 1    3    9   47 o  158.234   15.631   67.388   9.2276   72.372   10.708   53.008   18.189  174.264   13.148  142.205   28.363 32.05905 31.26237 
1 1 1    3    9   48 o   94.843   14.313   21.719   5.6356   20.804   6.5678   24.274   10.974   93.049   15.103   96.637   24.317 -3.588219 28.62592 
1 1 1    3    9   49 o  105.034   15.044   25.102   7.0659   17.999   8.6809   39.048   12.163   83.902   21.903  126.165   20.629 -42.26364 30.08825 
1 1 1    3    9   50 o  252.221   19.640  157.452   22.175  142.137   27.192  187.859   38.314  237.256   24.524  267.185   30.683 -29.92903 39.27937 
1 1 1    3    9   51 o  101.999   16.001   26.381   7.2316   24.267   9.0862   30.035   11.944   97.211   20.638  106.787   24.459 -9.576607 32.00225 
1 1 1    3    9   52 o   49.990   14.787   2.0246   5.2949   2.9957   9.9704   1.6432   6.2488   55.668   23.167   44.312   18.382 11.35632 29.57395 
1 1 1    3    9   53 o  122.845   12.186   37.013   6.9343   35.058   10.339   38.611   9.3492  119.481   18.515  126.208   15.851 -6.726944 24.37275 
1 1 1    3    9   54 o  121.592   11.926   35.850   6.7599   39.582   9.8687   32.551   9.2785  127.622   16.546  115.562   17.180 12.06059 23.85210 
1 1 1    3    9   55 o   65.327   13.678   10.026   5.1763   1.4251   7.4670   17.984   7.1820   47.034   19.842   83.619   18.831 -36.58522 27.35516 
1 1 1    3    9   56 o   90.858   13.112   20.351   5.2946   25.229   8.5005   17.258   6.7678   99.493   18.974   82.223   18.102 17.27000 26.22387 
1 1 1    3    9   57 o   92.726   11.995   21.459   5.0771   24.225   7.3732   18.965   7.0013   99.419   15.869   86.033   17.992 13.38647 23.98993 
1 1 1    3    9   58 o  105.734   12.439   28.001   5.8099   29.000   9.4913   27.402   7.3472  105.642   19.955  105.826   14.856 -0.1841736 24.87783 
1 1 1    3    9   59 o   65.422   14.806   10.982   5.0271   10.796   8.2330   11.093   6.3477   65.475   22.385   65.370   19.386 0.1046906 29.61230 
1 1 1    3    9   60 o   49.626   13.966   3.3567   5.3608  -9.8137   10.545   7.9471   6.2253   42.308   20.034   56.943   19.465 -14.63499 27.93261 
1 1 1    3    9   61 o   41.569   13.385  -2.6008   5.4524 -20.8193   12.823   1.4198   6.0241   40.714   19.946   42.425   17.856 -1.711178 26.77083 
1 1 1    3    9   62 f   86.034   17.253   20.973   6.8605   21.241   8.0649   20.272   13.050   88.886   19.909   83.181   28.183 5.705261 34.50573 
1 1 1    3    9   63 o   54.753   15.613   5.1487   6.5795   9.7442   8.0369  -4.1897   11.457   61.427   22.031   48.079   22.128 13.34773 31.22536 
1 1 1    3    9   64 o   76.577   16.395   18.048   6.3083   8.9855   14.107   20.313   7.0527   65.808   27.486   87.346   17.879 -21.53761 32.78978 
1 1 1    3    9   65 o   62.572   14.214   11.105   5.1882   4.2888   8.2930   15.489   6.6504   50.680   21.113   74.463   19.037 -23.78303 28.42801 
1 1 1    3    9   66 o   46.809   11.948   0.7833   4.3812   11.894   6.3310  -9.4269   6.0692   64.952   19.383   28.665   13.974 36.28688 23.89500 
1 1 1    3    9   67 o   38.689   12.002  -1.5936   4.4438   4.2623   6.4422  -6.9091   6.1378   46.609   18.925   30.770   14.765 15.83912 24.00392 
1 1 1    3    9   68 o   52.628   14.415   7.3775   5.1414   9.3761   7.0659   5.1288   7.4951   56.533   20.604   48.723   20.166 7.810734 28.82984 
1 1 1    3    9   69 o   53.478   14.523   8.3092   5.2187   5.5661   8.1492   10.216   6.7947   49.384   20.775   57.572   20.298 -8.188297 29.04512 
1 1 1    3    9   70 o   47.278   13.472   5.4847   4.7573   0.8034   8.3019   7.7734   5.8049   42.936   19.401   51.620   18.696 -8.684269 26.94301 
1 1 1    3    9   71 o   73.584   14.865   18.219   5.3507   20.862   8.0573   16.134   7.1567   78.089   21.429   69.079   20.607 9.009453 29.72964 
1 1 1    3   10    0 o  178.424   17.594   79.253   19.594   79.253   19.594   79.253   19.594  178.424   24.882  178.424   24.882 -0.000000 0.000000 
1 1 1    3   10    1 o  396.890   24.468  368.538   43.377  427.770   75.168  338.965   53.113  418.270   38.453  375.510   30.265 42.75964 48.93501 
1 1 1    3   10    2 o  107.018   10.748   28.177   4.3936   25.826   8.8787   28.939   5.0561  102.921   19.164  111.116   9.7364 -8.194939 21.49539 
1 1 1    3   10    3 o  318.444   15.427  234.624   22.641  279.694   35.833  204.672   29.211  343.135   22.345  293.754   21.277 49.38168 30.85454 
1 1 1    3   10    4 o  117.207   10.145   32.568   4.7653   31.858   9.6042   32.799   5.4885  116.140   17.695  118.274   9.9295 -2.134483 20.29018 
1 1 1    3   10    5 o  329.583   21.686  255.742   31.806  283.517   55.107  241.867   38.949  341.252   34.553  317.914   26.214 23.33731 43.37201 
1 1 1    3   10    6 o  329.735   19.037  243.225   26.108  299.560   52.266  224.493   30.138  351.875   31.783  307.595   20.965 44.27975 38.07440 
1 1 1    3   10    7 o  336.519   24.021  288.136   31.645  249.091   63.292  301.149   36.539  316.917   42.733  356.120   21.954 -39.20303 48.04275 
1 1 1    3   10    8 o  165.778   16.613   68.817   11.736   96.537   16.659   41.501   16.537  202.274   17.622  129.282   28.167 72.99269 33.22544 
1 1 1    3   10    9 o  645.496   56.068  1149.08  167.204  978.323  236.441  1319.90  236.481  588.891   85.910  702.101   72.070 -113.2097 112.1369 
1 1 1    3   10   10 o  452.063   51.516  511.165  108.840  511.165  108.840   0.0000   0.0000  452.063   51.516  ?   ?       ?      ? 
1 1 1    3   10   11 o  446.796   42.673  617.445   68.673  779.717   84.125  293.310  118.896  570.309   31.563  323.283   79.295 247.0268 85.34618 
1 1 1    3   10   12 o  113.218   13.333   30.839   6.8468   26.744   9.6847   34.930   9.6810  104.637   20.537  121.799   17.007 -17.16225 26.66514 
1 1 1    3   10   13 o  695.415   43.418  1182.28  135.135  1060.04  165.484  1426.94  234.119  650.121   54.465  740.709   67.631 -90.58777 86.83559 
1 1 1    3   10   14 o  801.281  101.130  1819.64  378.711   0.0000   0.0000  1819.64  378.711  ?   ?   801.281  101.130      ?      ? 
1 1 1    3   10   15 o  533.471   42.211  706.462  105.044  659.384  148.542  753.556  148.567  514.588   61.766  552.354   57.552 -37.76630 84.42297 
1 1 1    3   10   16 o  313.693   24.953  234.400   36.556  244.736   51.711  224.075   51.684  320.738   34.498  306.648   36.064 14.08969 49.90688 
1 1 1    3   10   17 o  370.565   29.116  328.698   50.403  318.079   71.284  339.316   71.278  364.434   41.853  376.697   40.487 -12.26291 58.23185 
1 1 1    3   10   18 o  554.834   39.941  765.469   99.938  987.940  141.435  543.636  141.232  640.491   47.250  469.177   64.410 171.3137 79.88256 
1 1 1    3   10   19 o  138.084   10.946   40.719   6.7349   60.347   11.870   31.400   8.1788  160.428   15.832  115.740   15.121 44.68803 21.89219 
1 1 1    3   10   20 o  1000.41   55.223  2547.74  255.370  2147.48  361.130  2948.09  361.166  914.797   84.469  1086.03   71.158 -171.2299 110.4466 
1 1 1    3   10   21 o  237.830   13.505  132.880   15.001  138.554   21.263  127.256   21.167  242.909   18.730  232.751   19.459 10.15862 27.00907 
1 1 1    3   10   22 o  409.155   22.667  398.042   43.146  354.835   61.022  441.237   61.014  386.562   33.777  431.748   30.238 -45.18576 45.33494 
1 1 1    3   10   23 o  344.766   18.033  262.096   27.922  350.730   48.417  217.931   34.177  385.411   26.880  304.121   24.046 81.29068 36.06603 
1 1 1    3   10   24 o  185.443   16.344   80.773   14.129   73.035   19.499   89.327   20.501  176.079   23.695  194.807   22.518 -18.72733 32.68864 
1 1 1    3   10   25 o  192.997   15.834   93.230   13.045   72.696   22.223  104.025   16.113  175.423   27.106  210.571   16.373 -35.14767 31.66754 
1 1 1    3   10   26 o  365.114   40.798  320.681   69.616  320.681   69.616   0.0000   0.0000  365.114   40.798  ?   ?       ?      ? 
1 1 1    3   10   27 o  282.515   32.388  190.492   42.763  190.492   42.763   0.0000   0.0000  282.515   32.388  ?   ?       ?      ? 
1 1 1    3   10   28 f  386.433   25.152  350.611   43.218  334.527   52.950  382.709   74.801  374.815   30.228  398.051   40.209 -23.23575 50.30444 
1 1 1    3   10   29 o  175.711   12.368   73.942   9.8021   51.305   13.711   97.604   14.018  147.533   19.886  203.889   14.712 -56.35561 24.73627 
1 1 1    3   10   30 o  396.534   24.892  362.680   44.116  328.897   53.941  430.925   76.666  371.004   31.110  422.065   38.867 -51.06036 49.78398 
1 1 1    3   10   31 o  221.719   12.735  115.764   13.194  116.262   18.558  115.254   18.763  222.215   17.870  221.223   18.148 0.9923553 25.46930 
1 1 1    3   10   32 o  419.214   25.329  439.727   45.630  468.142   55.824  382.519   79.209  443.349   26.942  395.078   42.899 48.27176 50.65791 
1 1 1    3   10   33 o  281.622   16.245  190.644   20.879  143.570   29.422  238.403   29.635  245.610   25.632  317.633   19.964 -72.02327 32.48911 
1 1 1    3   10   34 o  364.984   19.267  318.407   32.775  291.132   46.280  345.849   46.421  348.957   28.378  381.011   26.070 -32.05414 38.53481 
1 1 1    3   10   35 o  307.776   17.443  226.601   25.074  217.051   35.375  236.244   35.546  301.121   25.137  314.430   24.189 -13.30905 34.88527 
1 1 1    3   10   36 o  269.931   20.369  179.633   23.917  185.031   29.253  168.749   41.537  278.112   22.506  261.749   33.956 16.36331 40.73725 
1 1 1    3   10   37 f  280.845   22.716  200.461   27.358  213.409   33.459  174.345   47.520  298.007   24.024  263.683   38.561 34.32373 45.43275 
1 1 1    3   10   38 o  544.946   41.056  807.788   97.877  799.387  119.846  824.613  169.608  555.442   46.168  534.451   67.904 20.99091 82.11238 
1 1 1    3   10   39 o  380.518   21.696  356.500   38.459  387.629   54.365  325.318   54.412  398.046   29.224  362.991   32.074 35.05521 43.39162 
1 1 1    3   10   40 o  357.508   18.308  308.664   30.055  298.278   38.778  324.289   47.564  351.234   23.623  363.782   27.977 -12.54755 36.61635 
1 1 1    3   10   41 o  143.243   11.610   49.168   7.7218   54.451   10.788   43.617   11.058  151.369   15.249  135.117   17.511 16.25189 23.22029 
1 1 1    3   10   42 o  319.862   23.894  269.191   32.691  286.889   40.042  233.815   56.612  342.096   25.045  297.627   40.700 44.46982 47.78871 
1 1 1    3   10   43 o  108.887   14.087   25.464   6.6133   41.057   12.279   19.093   7.8491  130.401   20.148   87.373   19.693 43.02744 28.17388 
1 1 1    3   10   44 o  228.301   20.190  126.251   21.542   0.0000   0.0000  126.251   21.542  ?   ?   228.301   20.190      ?      ? 
1 1 1    3   10   45 o  302.615   22.489  232.898   29.981  228.557   36.727  241.569   51.906  302.973   25.938  302.257   36.745 0.7152100 44.97766 
1 1 1    3   10   46 o  132.697   16.307   46.481   8.9322   50.304   10.843   38.409   15.754  144.658   16.039  120.735   28.396 23.92287 32.61309 
1 1 1    3   10   47 o  197.346   14.945   93.449   12.015   90.758   13.867  101.554   24.065  194.281   15.272  200.411   25.694 -6.129623 29.89013 
1 1 1    3   10   48 o  103.334   16.153   29.263   7.4259   34.112   9.1095   19.658   12.821  118.971   16.384   87.697   27.843 31.27450 32.30589 
1 1 1    3   10   49 o  193.159   16.546   94.225   14.036   96.306   17.312   90.233   23.979  198.619   18.650  187.698   27.335 10.92102 33.09143 
1 1 1    3   10   50 o  135.157   12.163   44.521   7.6731   47.696   11.021   41.534   10.690  139.945   16.850  130.370   17.545 9.575043 24.32608 
1 1 1    3   10   51 o  130.368   13.442   43.562   7.6876   32.866   11.281   52.836   10.504  112.902   22.172  147.835   15.203 -34.93368 26.88354 
1 1 1    3   10   52 o  154.312   11.084   56.265   7.8880   46.157   10.322   70.455   12.230  137.941   16.011  170.683   15.332 -32.74208 22.16797 
1 1 1    3   10   53 o  104.058   14.422   26.065   7.0137   26.065   7.0137   0.0000   0.0000  104.058   14.422  ?   ?       ?      ? 
1 1 1    3   10   54 o  149.098   12.967   51.151   8.2076   46.396   9.5836   64.237   15.897  138.374   14.819  159.822   21.283 -21.44810 25.93453 
1 1 1    3   10   55 o   87.726   16.177   19.123   6.4760   15.879   7.9926   25.324   11.050   78.049   21.312   97.404   24.342 -19.35593 32.35314 
1 1 1    3   10   56 o   57.825   15.118   6.8092   4.7743   7.9813   9.9805   6.4614   5.4367   62.850   24.156   52.800   18.185 10.04919 30.23559 
1 1 1    3   10   57 o  181.305   10.346   80.175   8.7611   84.154   12.553   76.396   12.233  185.779   14.459  176.832   14.802 8.946396 20.69179 
1 1 1    3   10   58 o   87.267   15.319   20.345   6.2212   20.995   8.8038   19.696   8.7923   88.756   21.460   85.778   21.867 2.978287 30.63815 
1 1 1    3   10   59 o   87.911   13.949   21.286   5.6087   15.266   9.1318   24.933   7.1073   75.262   23.444  100.560   15.123 -25.29713 27.89828 
1 1 1    3   10   60 o   40.023   13.067  -4.8744   5.7204  -7.4038   8.7324  -2.9730   7.5711   39.416   18.531   40.630   18.427 -1.213280 26.13357 
1 1 1    3   10   61 o   96.280   18.582   26.390   8.2804   25.796   10.119   27.593   14.405   96.741   22.762   95.819   29.379 0.9224548 37.16460 
1 1 1    3   10   62 o   66.540   15.812   12.734   6.1318   15.949   6.9756   1.8024   12.862   76.554   19.456   56.526   24.931 20.02775 31.62466 
1 1 1    3   10   63 o   81.772   14.703   18.554   5.4759   17.895   9.2870   18.905   6.7798   79.157   23.443   84.387   17.753 -5.229065 29.40654 
1 1 1    3   10   64 o   38.154   11.756  -3.8191   4.8102 -20.4944   8.3561   4.4454   5.8826   29.204   14.610   47.103   18.422 -17.89893 23.51244 
1 1 1    3   10   65 o   67.333   13.382   12.143   4.8045   20.161   7.1372   5.4989   6.4971   85.111   18.473   49.555   19.366 35.55512 26.76406 
1 1 1    3   10   66 o   63.428   14.402   11.008   4.9646   15.337   7.3858   7.4395   6.7054   72.796   20.718   54.060   20.010 18.73564 28.80359 
1 1 1    3   10   67 o   65.782   13.578   12.290   4.8240   19.567   7.1114   6.0874   6.5656   81.923   18.951   49.641   19.449 32.28202 27.15515 
1 1 1    3   10   68 o   55.715   14.346   8.7879   5.4198   14.007   7.1340   1.6641   8.3349   66.792   20.707   44.639   19.860 22.15292 28.69150 
1 1 1    3   10   69 o   52.910   14.196   6.9964   5.2376   13.432   7.6153   1.2200   7.2150   64.155   21.530   41.664   18.510 22.49082 28.39294 
1 1 1    3   10   70 o   53.738   14.335   7.2667   5.3571   16.054   8.1891   0.6931   7.0830   67.532   22.317   39.943   17.996 27.58895 28.66921 
1 1 1    3   11    0 o  684.267   35.678  1149.83  159.339  1149.83  159.339  1149.83  159.339  684.267   50.456  684.267   50.456 -0.000000 0.000000 
1 1 1    3   11    1 o  164.411   10.704   63.568   8.2246   63.484   11.638   63.652   11.625  164.301   15.156  164.521   15.119 -0.2197418 21.40785 
1 1 1    3   11    2 o  446.993   24.582  482.496   51.341  493.751   72.614  471.246   72.601  452.378   34.346  441.608   35.177 10.77023 49.16392 
1 1 1    3   11    3 o  184.595   13.271   77.319   10.944   90.749   19.019   70.671   13.381  195.924   20.771  173.266   16.525 22.65871 26.54275 
1 1 1    3   11    4 o  209.247   17.737  103.170   17.346   0.0000   0.0000  103.170   17.346  ?   ?   209.247   17.737      ?      ? 
1 1 1    3   11    5 o  124.406   11.379   36.473   6.2329   36.223   10.785   36.599   7.6376  123.943   18.619  124.869   13.087 -0.9263229 22.75811 
1 1 1    3   11    6 o  214.941   15.239  109.635   14.409  108.122   24.915  110.396   17.663  213.383   24.984  216.500   17.456 -3.117294 30.47837 
1 1 1    3   11    7 o   89.873   11.858   21.599   4.4339   13.785   7.6270   25.588   5.4493   75.273   20.925  104.473   11.161 -29.19938 23.71532 
1 1 1    3   11    8 o  193.064   14.129   89.216   11.914   91.544   14.580   84.537   20.668  197.281   15.814  188.846   23.418 8.435211 28.25717 
1 1 1    3   11    9 o  467.440   36.950  528.089   80.720  528.089   80.720   0.0000   0.0000  467.440   36.950  ?   ?       ?      ? 
1 1 1    3   11   10 o  173.389   15.002   76.148   10.932   85.159   13.373   58.004   18.978  190.415   15.028  156.363   25.970 34.05161 30.00426 
1 1 1    3   11   11 o  202.557   14.611   95.061   13.120   91.735   16.045  101.770   22.790  197.548   17.379  207.566   23.494 -10.01738 29.22267 
1 1 1    3   11   12 o  738.165   86.955  1437.86  299.979   0.0000   0.0000  1437.86  299.979  ?   ?   738.165   86.955      ?      ? 
1 1 1    3   11   13 o  641.308   50.604  1049.89  147.759  796.467  208.916  1303.54  209.009  556.726   80.295  725.889   61.610 -169.1627 101.2078 
1 1 1    3   11   14 o  551.953   61.364  750.750  158.292  750.750  158.292   0.0000   0.0000  551.953   61.364  ?   ?       ?      ? 
1 1 1    3   11   15 o  653.677   50.748  1034.13  155.033   0.0000   0.0000  1034.13  155.033  ?   ?   653.677   50.748      ?      ? 
1 1 1    3   11   16 o  719.636   48.435  1281.18  153.425  1306.31  265.772  1268.62  187.896  717.575   79.250  721.698   55.708 -4.122192 96.87071 
1 1 1    3   11   17 o  408.064   23.697  371.326   43.419  484.413   75.304  315.009   53.141  451.386   35.696  364.742   31.175 86.64331 47.39310 
1 1 1    3   11   18 f  726.377   50.502  1329.55  160.173  1286.44  277.449  1351.11  196.163  708.494   83.792  744.261   56.396 -35.76715 101.0035 
1 1 1    3   11   19 o  231.218   14.012  126.420   14.991  105.938   21.190  146.939   21.210  212.248   21.362  250.189   18.139 -37.94106 28.02477 
1 1 1    3   11   20 o  685.304   37.422  1141.19  119.824  1112.37  169.457  1170.01  169.458  676.306   53.613  694.303   52.224 -17.99695 74.84473 
1 1 1    3   11   21 o  162.925   12.339   61.268   8.9863   58.904   11.086   65.796   15.345  158.514   14.965  167.336   19.622 -8.822815 24.67701 
1 1 1    3   11   22 o  553.438   35.164  721.150   86.669  677.661  106.109  808.321  150.227  531.559   42.713  575.318   55.872 -43.75903 70.32854 
1 1 1    3   11   23 o  318.833   24.195  239.572   36.052   0.0000   0.0000  239.572   36.052  ?   ?   318.833   24.195      ?      ? 
1 1 1    3   11   24 o  448.626   30.302  481.914   59.991  492.314  103.815  476.701   73.507  450.101   49.352  447.152   35.175 2.949005 60.60449 
1 1 1    3   11   25 o  268.574   22.448  175.010   27.340  222.995   38.701  127.205   38.628  306.727   26.998  230.421   35.871 76.30637 44.89528 
1 1 1    3   11   26 o  374.044   41.970  338.813   73.367   0.0000   0.0000  338.813   73.367  ?   ?   374.044   41.970      ?      ? 
1 1 1    3   11   27 o  625.688   46.609  1048.49  123.103  1145.40  150.797  854.869  213.146  684.170   47.161  567.206   80.407 116.9642 93.21723 
1 1 1    3   11   28 f  693.378   49.179  1237.86  149.891  1220.14  183.547  1273.34  259.707  697.864   56.277  688.892   80.666 8.971680 98.35707 
1 1 1    3   11   29 o  119.910   10.516   33.858   5.8428   28.425   8.1596   39.576   8.3703  109.969   15.877  129.851   13.793 -19.88165 21.03110 
1 1 1    3   11   30 o  502.800   34.274  645.615   74.056  563.221  128.136  686.940   90.747  471.940   58.095  533.661   36.385 -61.72067 68.54882 
1 1 1    3   11   31 o  448.279   21.240  483.560   44.118  411.985   62.318  555.478   62.467  414.046   32.205  482.512   27.701 -68.46603 42.47960 
1 1 1    3   11   32 o  219.181   13.088  113.328   13.406  113.202   18.883  113.455   19.036  219.066   18.444  219.296   18.574 -0.2302704 26.17601 
1 1 1    3   11   33 o  201.038   13.091   95.669   12.239   84.434   17.250  107.058   17.367  189.005   19.528  213.072   17.440 -24.06618 26.18227 
1 1 1    3   11   34 o  188.431   17.230   84.849   15.034   70.300   20.723  101.012   21.842  171.112   25.914  205.750   22.715 -34.63835 34.46049 
1 1 1    3   11   35 o  493.002   33.934  613.666   74.324  684.210  128.739  578.398   91.026  506.862   54.347  479.142   40.650 27.72025 67.86769 
1 1 1    3   11   36 o  274.839   23.927  187.123   30.551  208.624   43.103  165.415   43.309  291.696   31.618  257.983   35.921 33.71289 47.85385 
1 1 1    3   11   37 o  200.148   18.549   97.287   17.139   79.361   23.951  116.097   24.535  180.594   28.378  219.702   23.895 -39.10747 37.09826 
1 1 1    3   11   38 o  247.141   19.495  154.537   20.714  132.141   35.678  165.924   25.440  230.911   33.061  263.371   20.668 -32.46039 38.98969 
1 1 1    3   11   39 o  244.888   21.918  164.344   21.253  113.110   36.567  190.479   26.117  207.715   39.104  282.060   19.813 -74.34499 43.83636 
1 1 1    3   11   40 o  338.689   20.143  286.902   31.242  349.649   44.216  224.341   44.150  378.257   25.012  299.121   31.582 79.13620 40.28698 
1 1 1    3   11   41 o   47.022   12.492   4.0861   3.6491   5.1062   4.4204   1.9037   6.4657   48.078   16.402   45.965   18.845 2.112541 24.98374 
1 1 1    3   11   42 o  181.267   13.085   80.442   10.705   56.857   15.082  104.384   15.196  153.234   21.061  209.301   15.535 -56.06708 26.17064 
1 1 1    3   11   43 o  231.781   21.280  135.807   23.012  144.233   32.533  127.369   32.555  239.571   29.056  223.991   31.099 15.58043 42.56047 
1 1 1    3   11   44 o  167.805   17.156   67.671   13.454   67.671   13.454   0.0000   0.0000  167.805   17.156  ?   ?       ?      ? 
1 1 1    3   11   45 o   85.152   19.320   18.289   7.5123   18.289   7.5123   0.0000   0.0000   85.152   19.320  ?   ?       ?      ? 
1 1 1    3   11   46 o  173.856   15.141   77.149   10.327   79.656   11.904   69.531   20.756  182.442   13.962  165.270   26.872 17.17245 30.28273 
1 1 1    3   11   47 o  185.371   19.704   88.800   16.457   74.013   23.174  103.847   23.376  167.018   30.824  203.724   24.552 -36.70607 39.40701 
1 1 1    3   11   48 o  126.071   17.001   46.217   8.8572   26.522   15.484   55.796   10.798   99.799   30.433  152.344   15.167 -52.54422 34.00296 
1 1 1    3   11   49 o  130.423   12.059   41.612   7.2451   50.302   10.384   33.369   10.113  144.242   15.404  116.605   18.558 27.63680 24.11832 
1 1 1    3   11   50 o  225.487   15.044  127.836   15.623  104.269   22.077  151.476   22.110  203.100   23.258  247.873   19.086 -44.77333 30.08736 
1 1 1    3   11   51 o  119.830   11.952   35.069   6.6569   39.213   9.4330   30.957   9.3957  127.190   15.869  112.469   17.875 14.72093 23.90303 
1 1 1    3   11   52 o   64.120   13.473   10.593   4.5027   13.365   5.7457   6.1811   7.2485   72.693   17.184   55.547   20.756 17.14677 26.94645 
1 1 1    3   11   53 o  146.837   13.024   50.482   8.0679   47.236   9.4290   59.353   15.589  139.902   14.421  153.771   21.691 -13.86870 26.04775 
1 1 1    3   11   54 o   66.341   14.395   11.111   5.8622   18.156   7.2596  -2.0931   9.9385   83.980   18.947   48.703   21.676 35.27727 28.78949 
1 1 1    3   11   55 o   81.622   14.636   17.473   5.6513   20.563   7.8325   14.117   8.1621   89.425   19.307   73.820   22.003 15.60507 29.27289 
1 1 1    3   11   56 o   61.813   14.960   9.1117   5.2443   6.9976   7.1935   11.510   7.6616   56.504   20.759   67.123   21.546 -10.61834 29.91960 
1 1 1    3   11   57 o   86.368   15.011   19.809   6.0132   20.135   8.6695   19.508   8.3475   86.967   21.462   85.770   20.994 1.197243 30.02271 
1 1 1    3   11   58 o  142.732   13.445   55.936   7.9053   38.054   12.584   67.594   10.160  118.680   23.519  166.784   13.035 -48.10384 26.89014 
1 1 1    3   11   59 o  119.307   11.477   33.747   6.2025   42.996   10.473   28.750   7.6977  130.850   17.126  107.764   15.284 23.08561 22.95467 
1 1 1    3   11   60 o  119.726   13.840   36.901   7.4200   47.868   11.087   28.004   9.9859  137.704   17.228  101.747   21.664 35.95788 27.67929 
1 1 1    3   11   61 o   80.986   18.025   17.979   7.5274   13.862   9.5993   24.552   12.130   70.966   24.171   91.006   26.748 -20.03943 36.05093 
1 1 1    3   11   62 o  156.843   14.338   58.308   9.5360   49.386   11.055   84.254   18.852  138.770   17.045  174.917   23.061 -36.14740 28.67680 
1 1 1    3   11   63 o   64.181   14.060   11.387   4.8014   7.9185   7.3843   13.927   6.3196   56.828   21.006   71.534   18.695 -14.70617 28.12065 
1 1 1    3   11   64 o   87.742   13.275   21.335   5.2670   22.180   7.7692   20.616   7.1648   89.049   19.231   86.435   18.306 2.614304 26.55091 
1 1 1    3   11   65 o   45.609   12.624   3.1978   4.2238   7.7772   5.9872  -1.3397   5.9597   54.399   19.063   36.818   16.555 17.58113 25.24862 
1 1 1    3   11   66 o   37.922   11.992  -0.7627   4.3439   1.0587   6.5100  -2.2246   5.8322   41.120   17.948   34.723   15.910 6.397182 23.98397 
1 1 1    3   11   67 o   37.870   11.882   0.1938   4.1823   0.3618   6.1455   0.0488   5.7081   38.659   17.133   37.081   16.469 1.577827 23.76483 
1 1 1    3   11   68 o   84.162   14.991   22.639   5.8647   23.324   7.6723   21.676   9.0963   88.086   19.181   80.238   23.043 7.847824 29.98133 
1 1 1    3   11   69 o   36.905   11.969  -7.2630   5.1690 -18.1585   7.0382   5.4950   7.6160   25.610   12.893   48.199   20.169 -22.58898 23.93809 
1 1 1    3   11   70 o   40.158   12.756   0.0445   5.4923 -15.0344   10.906   5.1680   6.3573   35.152   17.439   45.164   18.622 -10.01146 25.51240 
1 1 1    3   12    0 o  459.869   25.707  511.051   77.011  511.051   77.011  511.051   77.011  459.869   36.355  459.869   36.355 -0.000000 0.000000 
1 1 1    3   12    1 o  417.588   20.290  423.277   38.331  380.719   60.607  451.647   49.484  398.610   32.534  436.565   24.253 -37.95471 40.57907 
1 1 1    3   12    2 o  322.878   16.038  247.176   23.672  243.472   37.440  249.644   30.554  320.442   25.000  325.313   20.097 -4.870880 32.07623 
1 1 1    3   12    3 o  261.273   17.335  162.696   18.229  159.683   36.492  163.697   21.042  258.743   30.178  263.803   17.068 -5.060089 34.67009 
1 1 1    3   12    4 o  359.971   32.981  411.614   40.688  152.277   70.337  542.044   49.882  240.901   62.085  479.042   22.280 -238.1406 65.96148 
1 1 1    3   12    5 o  130.039   11.239   38.605   6.5391   43.524   11.250   36.095   8.0360  136.038   17.695  124.040   13.862 11.99850 22.47867 
1 1 1    3   12    6 o  432.996   27.048  442.614   51.961  474.823   90.004  426.513   63.636  442.901   43.482  423.091   32.183 19.80981 54.09697 
1 1 1    3   12    7 o  312.027   23.235  229.660   33.882   0.0000   0.0000  229.660   33.882  ?   ?   312.027   23.235      ?      ? 
1 1 1    3   12    8 o  648.651   49.980  1023.34  151.512   0.0000   0.0000  1023.34  151.512  ?   ?   648.651   49.980      ?      ? 
1 1 1    3   12    9 o  341.422   20.103  260.300   30.803  332.690   53.440  224.281   37.695  374.654   30.521  308.191   26.171 66.46384 40.20508 
1 1 1    3   12   10 o  153.464   14.443   61.846   8.8229   42.779   15.321   71.307   10.792  132.464   25.675  174.464   13.236 -41.99966 28.88592 
1 1 1    3   12   11 o  663.674   47.244  1119.62  135.567  1017.33  234.818  1170.76  166.032  632.226   79.473  695.121   51.108 -62.89587 94.48759 
1 1 1    3   12   12 o  905.010   75.858  2233.08  313.386  1754.08  443.150  2712.27  443.240  791.751  119.762  1018.27   93.140 -226.5178 151.7166 
1 1 1    3   12   13 o  411.771   27.823  404.835   50.393  403.733   87.319  405.385   61.705  409.895   45.582  413.648   31.919 -3.752747 55.64650 
1 1 1    3   12   14 o  469.759   29.110  504.505   61.253  609.067  106.155  452.315   74.997  503.577   45.106  435.940   36.811 67.63736 58.22002 
1 1 1    3   12   15 o  765.961   39.724  1442.83  139.993  1722.81  198.005  1162.98  197.956  844.151   50.189  687.770   61.586 156.3810 79.44709 
1 1 1    3   12   16 o  641.674   38.433  948.135  110.683  822.826  135.530  1199.07  191.789  583.496   49.700  699.852   58.637 -116.3568 76.86624 
1 1 1    3   12   17 o  393.705   28.855  394.533   47.977  437.464   58.764  308.707   83.088  430.103   29.234  357.307   49.757 72.79620 57.70970 
1 1 1    3   12   18 o  186.634   13.386   78.774   11.078   91.332   19.538   72.825   13.448  197.067   21.214  176.201   16.331 20.86571 26.77206 
1 1 1    3   12   19 o  450.440   24.971  482.672   52.566  485.295   74.334  480.049   74.346  451.686   35.213  449.193   35.414 2.493347 49.94156 
1 1 1    3   12   20 o  640.677   42.502  1021.11  118.752  972.151  205.699  1045.58  145.436  622.961   70.653  658.393   47.266 -35.43225 85.00497 
1 1 1    3   12   21 o  724.152   56.389  1282.43  190.838   0.0000   0.0000  1282.43  190.838  ?   ?   724.152   56.389      ?      ? 
1 1 1    3   12   22 o  422.845   29.937  445.706   54.490  385.942   94.256  475.705   66.780  398.188   50.650  447.502   31.931 -49.31439 59.87460 
1 1 1    3   12   23 o  371.539   29.478  333.812   51.079  309.854   72.232  357.777   72.242  357.740   43.204  385.338   40.115 -27.59723 58.95568 
1 1 1    3   12   24 o  172.654   16.477   70.047   13.295   70.047   13.295   0.0000   0.0000  172.654   16.477  ?   ?       ?      ? 
1 1 1    3   12   25 o  284.326   18.391  206.634   21.944  233.686   26.949  153.399   37.804  315.130   18.298  253.522   31.907 61.60789 36.78114 
1 1 1    3   12   26 o  435.945   22.785  456.565   46.044  390.675   65.075  522.622   65.158  403.570   34.503  468.320   29.770 -64.74985 45.57084 
1 1 1    3   12   27 o  180.582   10.829   76.643   9.1351   78.946   12.896   74.324   12.943  183.322   15.052  177.842   15.572 5.479706 21.65739 
1 1 1    3   12   28 o  369.628   20.939  328.578   35.667  266.402   50.378  391.059   50.502  333.556   32.317  405.700   26.635 -72.14386 41.87892 
1 1 1    3   12   29 o  299.400   15.960  212.661   22.268  230.472   31.429  194.707   31.554  312.188   21.541  286.612   23.557 25.57593 31.92085 
1 1 1    3   12   30 o   43.276   13.176  -0.0925   3.6664  -0.4767   4.0091   1.8706   9.0628   32.982   14.241   53.570   22.173 -20.58795 26.35266 
1 1 1    3   12   31 o  138.168   10.865   44.892   7.0148   44.222   9.8365   45.585   10.007  137.120   15.350  139.215   15.380 -2.094894 21.72915 
1 1 1    3   12   32 o   81.290   12.446   16.310   4.5782   17.539   6.2022   14.839   6.7862   84.880   16.227   77.699   18.875 7.180824 24.89116 
1 1 1    3   12   33 o  235.541   19.155  145.952   18.755  102.613   32.030  168.564   23.135  204.529   33.509  266.553   18.572 -62.02376 38.31092 
1 1 1    3   12   34 o  270.287   16.160  176.695   20.067  139.917   28.318  213.792   28.441  241.059   25.136  299.514   20.318 -58.45476 32.32076 
1 1 1    3   12   35 f  129.959   12.810   35.842   7.3199   27.965   8.7320   54.463   13.425  108.601   17.204  151.318   18.984 -42.71730 25.62000 
1 1 1    3   12   36 o  102.312   17.082   25.963   8.0216   23.377   10.840   29.092   11.925   96.712   24.078  107.913   24.238 -11.20166 34.16460 
1 1 1    3   12   37 o  191.086   26.066   88.603   23.278   0.0000   0.0000   88.603   23.278  ?   ?   191.086   26.066      ?      ? 
1 1 1    3   12   38 o  351.975   28.125  304.229   46.264   0.0000   0.0000  304.229   46.264  ?   ?   351.975   28.125      ?      ? 
1 1 1    3   12   39 o  203.856   13.074   99.550   12.445   94.130   17.442  105.171   17.763  198.109   18.839  209.603   18.133 -11.49455 26.14774 
1 1 1    3   12   40 o  164.373   11.790   64.493   9.0560   63.351   12.688   65.680   12.929  162.891   16.667  165.855   16.680 -2.964417 23.58022 
1 1 1    3   12   41 o  120.445   14.828   36.103   7.4610   36.764   8.9828   34.632   13.398  124.213   15.474  116.677   25.299 7.536438 29.65597 
1 1 1    3   12   42 o  121.793   17.337   38.291   9.6396   50.877   13.453   25.010   13.819  145.013   19.850   98.573   28.430 46.44043 34.67389 
1 1 1    3   12   43 o   50.630   15.021   0.9175   6.0826  -2.0382   8.3883   4.1950   8.8330   45.502   20.098   55.758   22.328 -10.25634 30.04138 
1 1 1    3   12   44 o  209.385   18.859  106.468   18.455  106.468   18.455   0.0000   0.0000  209.385   18.859  ?   ?       ?      ? 
1 1 1    3   12   45 o  289.774   24.761  211.092   33.533  211.092   33.533   0.0000   0.0000  289.774   24.761  ?   ?       ?      ? 
1 1 1    3   12   46 o  165.483   14.601   64.151   10.798   57.427   13.185   77.842   18.815  153.751   18.350  177.216   22.717 -23.46478 29.20257 
1 1 1    3   12   47 o  231.528   16.972  125.652   17.662  104.211   21.647  168.358   30.549  204.750   22.622  258.306   25.306 -53.55623 33.94304 
1 1 1    3   12   48 o  173.726   11.264   72.949   8.9469   72.346   11.510   73.869   14.222  173.451   14.198  174.001   17.489 -0.5498047 22.52700 
1 1 1    3   12   49 o   75.449   13.424   15.064   4.7506   17.503   6.0896   11.271   7.5936   83.624   16.166   67.275   21.435 16.34991 26.84820 
1 1 1    3   12   50 o  159.924   10.846   59.264   7.9271   46.320   10.143   79.576   12.706  138.297   15.693  181.551   14.975 -43.25464 21.69185 
1 1 1    3   12   51 f  153.265   10.789   55.135   7.6148   46.642   9.8265   67.900   12.048  138.960   15.131  167.570   15.384 -28.61024 21.57817 
1 1 1    3   12   52 o   90.831   16.200   20.580   6.6247   20.580   6.6247   0.0000   0.0000   90.831   16.200  ?   ?       ?      ? 
1 1 1    3   12   53 o   58.114   13.635   8.1010   5.1949   13.296   5.9402  -8.7935   10.712   72.036   17.758   44.192   20.696 27.84313 27.26985 
1 1 1    3   12   54 o  133.887   18.167   53.767   9.9213   63.347   11.938   32.372   17.840  161.198   15.846  106.576   32.697 54.62250 36.33409 
1 1 1    3   12   55 o   68.390   14.248   12.353   5.1336   16.235   6.7086   6.8680   7.9745   79.269   18.454   57.512   21.714 21.75738 28.49606 
1 1 1    3   12   56 o   84.440   15.032   18.869   5.9179   17.810   8.0782   20.095   8.6941   81.976   20.994   86.904   21.520 -4.928474 30.06374 
1 1 1    3   12   57 o  113.559   15.282   31.526   7.7598   46.567   12.919   23.036   9.7058  134.792   20.507   92.326   22.662 42.46619 30.56335 
1 1 1    3   12   58 o   50.903   14.231   4.4521   5.0300   3.1241   6.9594   5.9047   7.2783   47.961   19.595   53.844   20.644 -5.883404 28.46270 
1 1 1    3   12   59 o   68.439   17.274   10.464   7.5621   19.393   10.950   2.3223   10.456   82.901   25.647   53.976   23.148 28.92451 34.54873 
1 1 1    3   12   60 o  211.240   19.383  124.433   18.127  118.114   22.247  136.914   31.266  209.432   22.730  213.047   31.402 -3.614609 38.76509 
1 1 1    3   12   61 o   46.227   14.353  -0.2445   5.1457  -1.8180   5.9127   4.6680   10.447   36.553   16.458   55.901   23.520 -19.34739 28.70632 
1 1 1    3   12   62 o   54.505   13.811   6.9743   4.8460   10.788   6.2415   1.1862   7.6893   63.283   19.327   45.726   19.733 17.55708 27.62144 
1 1 1    3   12   63 o   37.821   11.704  -2.9593   4.3032   4.3323   6.3393  -9.1903   5.8602   47.410   18.940   28.232   13.756 19.17825 23.40823 
1 1 1    3   12   64 o   61.855   13.533   10.732   4.6136   5.8762   6.8385   14.788   6.2502   50.910   19.876   72.801   18.370 -21.89116 27.06514 
1 1 1    3   12   65 o   46.064   13.426   3.2513   4.5363   6.0695   7.4969   1.6235   5.6977   51.719   20.618   40.408   17.202 11.31068 26.85160 
1 1 1    3   12   66 o   58.165   12.989   9.5065   5.0968  -3.2362   8.3852   16.973   6.4186   39.795   18.528   76.535   18.209 -36.73928 25.97835 
1 1 1    3   12   67 o   47.459   13.763   5.1498   4.8162   5.6428   7.5243   4.8077   6.2687   48.951   20.228   45.968   18.667 2.982773 27.52530 
1 1 1    3   12   68 o   80.048   14.376   19.334   5.6665   11.501   7.4321   30.208   8.7572   59.903   21.217  100.193   19.403 -40.28927 28.75137 
1 1 1    3   12   69 o   46.667   14.231   4.9392   5.6409   5.3187   8.2007   4.5983   7.7715   47.389   20.415   45.944   19.833 1.445446 28.46241 
1 1 1    3   13    0 o  865.710   38.284  1808.74  217.087  1808.74  217.087  1808.74  217.087  865.710   54.141  865.710   54.141 -0.000000 0.000000 
1 1 1    3   13    1 o  571.822   26.780  776.044   70.270  801.479  111.119  759.093   90.711  578.545   41.097  565.098   34.347 13.44739 53.56006 
1 1 1    3   13    2 o  323.190   22.133  247.920   31.466  246.458   54.510  248.650   38.535  321.697   36.257  324.682   25.395 -2.984589 44.26563 
1 1 1    3   13    3 o  227.340   16.658  122.682   16.610  118.969   28.774  124.538   20.341  224.417   27.435  230.263   18.902 -5.845245 33.31598 
1 1 1    3   13    4 o  235.619   14.624  119.624   15.411  176.180   26.806   91.703   18.834  273.724   20.954  197.514   20.404 76.21008 29.24705 
1 1 1    3   13    5 o  191.322   18.344  101.189   13.453   58.078   23.204  123.018   16.512  153.582   33.289  229.061   15.424 -75.47910 36.68853 
1 1 1    3   13    6 o  885.711   41.047  1916.90  166.408  1928.44  263.108  1909.20  214.835  883.896   63.693  887.527   51.794 -3.630676 82.09404 
1 1 1    3   13    7 o  213.855   16.488  119.380   13.419   87.175   26.754  130.206   15.512  191.979   29.819  235.732   14.080 -43.75302 32.97599 
1 1 1    3   13    8 o  338.614   16.810  271.011   26.009  265.038   41.120  274.995   33.580  335.208   26.248  342.020   21.008 -6.811523 33.62018 
1 1 1    3   13    9 o  330.301   17.606  258.221   26.990  223.384   38.150  293.128   38.188  307.712   26.528  352.890   23.155 -45.17792 35.21221 
1 1 1    3   13   10 f  1044.80   58.183  2787.71  283.964  2879.32  401.592  2696.10  401.579  1063.56   80.794  1026.04   83.746 37.51904 116.3660 
1 1 1    3   13   11 o  202.382   19.439  103.346   16.382  151.290   23.260   56.165   23.075  253.779   19.612  150.986   33.570 102.7929 38.87886 
1 1 1    3   13   12 o  242.279   15.959  131.284   17.319  115.989   21.170  162.235   30.115  222.156   20.390  262.401   24.557 -40.24461 31.91824 
1 1 1    3   13   13 o  470.640   29.236  521.995   60.985  505.494   74.675  555.041  105.675  461.270   34.640  480.011   47.106 -18.74118 58.47149 
1 1 1    3   13   14 o  779.750   51.312  1476.18  178.488  1365.03  218.601  1698.49  309.154  743.874   62.880  815.625   81.104 -71.75024 102.6241 
1 1 1    3   13   15 o  674.928   42.056  1109.11  125.268  1090.59  153.432  1146.13  216.939  671.816   48.868  678.040   68.460 -6.223938 84.11234 
1 1 1    3   13   16 o  279.961   21.487  206.133   24.597  240.586   30.136  137.385   42.570  319.933   20.155  239.990   37.955 79.94272 42.97411 
1 1 1    3   13   17 o  628.657   48.357  997.153  138.842  768.250  196.264  1226.47  196.441  550.694   76.258  706.619   59.484 -155.9249 96.71467 
1 1 1    3   13   18 o  351.758   24.262  299.073   37.253  279.354   64.382  308.998   45.676  341.776   40.307  361.740   27.017 -19.96469 48.52431 
1 1 1    3   13   19 o  329.877   21.871  251.512   32.172  279.326   55.579  237.496   39.454  342.642   34.708  317.112   26.622 25.52924 43.74197 
1 1 1    3   13   20 o  211.282   18.084  106.054   17.697   89.724   24.980  122.508   25.074  194.686   27.455  227.879   23.544 -33.19299 36.16761 
1 1 1    3   13   21 f  308.730   24.755  228.597   35.595  207.107   50.318  250.123   50.361  293.827   36.643  323.633   33.296 -29.80685 49.51095 
1 1 1    3   13   22 o  215.857   13.771  103.365   13.383   87.474   16.445  134.534   23.030  192.817   18.249  238.898   20.628 -46.08047 27.54138 
1 1 1    3   13   23 o  470.434   30.458  525.945   63.679  501.655   78.008  574.460  110.246  456.978   36.526  483.890   48.750 -26.91190 60.91538 
1 1 1    3   13   24 f  217.794   16.654  113.733   15.881  116.783   19.486  107.699   27.409  222.690   18.723  212.898   27.548 9.791397 33.30791 
1 1 1    3   13   25 o  354.764   21.643  283.493   34.414  244.696   42.043  362.262   59.907  320.677   28.054  388.851   32.965 -68.17419 43.28626 
1 1 1    3   13   26 o  648.042   34.709  1038.16  104.864  1117.50  148.302  958.822  148.298  674.238   47.064  621.847   51.028 52.39178 69.41846 
1 1 1    3   13   27 o  488.137   27.612  578.125   62.983  589.261   89.053  566.979   89.089  493.025   38.649  483.250   39.447 9.774811 55.22472 
1 1 1    3   13   28 o  184.025   11.884   80.774   10.063   95.208   14.068   65.647   14.401  201.227   14.959  166.822   18.471 34.40491 23.76888 
1 1 1    3   13   29 o  334.760   16.131  265.807   25.213  278.628   35.635  252.955   35.678  342.968   22.232  326.553   23.378 16.41519 32.26131 
1 1 1    3   13   30 o  305.354   16.549  221.925   23.535  201.027   33.277  242.842   33.291  290.705   24.493  320.004   22.260 -29.29938 33.09737 
1 1 1    3   13   31 o  338.504   19.018  275.677   30.054  289.171   42.431  262.092   42.575  347.080   26.158  329.929   27.612 17.15036 38.03502 
1 1 1    3   13   32 o  380.732   21.771  358.480   37.824  443.555   53.468  273.251   53.516  428.595   26.693  332.869   34.400 95.72556 43.54215 
1 1 1    3   13   33 o  104.829   12.126   26.539   5.7172   20.960   7.9357   32.559   8.2438   92.264   19.035  117.394   15.026 -25.12943 24.25129 
1 1 1    3   13   34 o  353.584   28.140  303.821   46.500  303.821   46.500   0.0000   0.0000  353.584   28.140  ?   ?       ?      ? 
1 1 1    3   13   35 o  248.612   21.504  151.548   24.976  146.003   35.127  157.218   35.519  243.854   30.822  253.370   29.995 -9.516525 43.00860 
1 1 1    3   13   36 o  130.350   16.863   42.096   9.8821   40.411   13.560   44.004   14.431  127.580   23.612  133.121   24.082 -5.541382 33.72690 
1 1 1    3   13   37 o  108.979   14.721   31.381   6.8285   22.462   11.530   36.199   8.4743   94.385   25.525  123.574   14.674 -29.18802 29.44229 
1 1 1    3   13   38 o  232.395   19.116  138.911   18.983  149.868   23.274  117.137   32.811  249.477   19.962  215.313   32.606 34.16405 38.23159 
1 1 1    3   13   39 o  136.738   13.615   44.059   8.1558   42.421   9.8613   47.605   14.509  133.428   15.814  140.047   22.167 -6.619156 27.22992 
1 1 1    3   13   40 f   91.207   23.154   21.070   9.8868   21.070   9.8868   0.0000   0.0000   91.207   23.154  ?   ?       ?      ? 
1 1 1    3   13   41 o  213.037   19.843  114.007   19.584   97.237   27.561  131.108   27.832  196.100   30.073  229.973   25.896 -33.87291 39.68591 
1 1 1    3   13   42 o  157.120   17.181   61.120   12.596   64.353   17.708   57.809   17.919  161.630   23.443  152.609   25.125 9.020615 34.36272 
1 1 1    3   13   43 o   43.454   19.573  -3.5737   8.3733   0.0000   0.0000  -3.5737   8.3733  ?   ?    43.454   19.573      ?      ? 
1 1 1    3   13   44 o   54.936   21.983   4.2894   8.5549   4.2894   8.5549   0.0000   0.0000   54.936   21.983  ?   ?       ?      ? 
1 1 1    3   13   45 o   85.599   17.125   18.240   7.4138   11.613   10.097   25.992   10.920   70.821   24.760  100.378   23.664 -29.55689 34.24998 
1 1 1    3   13   46 f  142.870   17.428   51.971   11.273   43.038   15.626   61.667   16.279  128.040   26.964  157.701   22.088 -29.66087 34.85602 
1 1 1    3   13   47 f   54.902   13.214   6.7604   3.9310   6.0792   4.9060   7.9821   6.5701   51.271   17.281   58.532   19.997 -7.260246 26.42894 
1 1 1    3   13   48 o  245.859   16.579  145.601   16.673  137.874   19.204  169.256   33.601  237.573   17.296  254.146   28.289 -16.57269 33.15775 
1 1 1    3   13   49 o   87.378   13.094   20.799   5.0842   25.025   6.3658   13.356   8.4489  102.151   13.334   72.605   22.539 29.54606 26.18817 
1 1 1    3   13   50 o   96.457   13.371   23.636   5.7990   24.704   7.9688   22.434   8.4547   99.202   17.844   93.711   19.918 5.490768 26.74252 
1 1 1    3   13   51 o  173.832   13.380   68.223   9.5968   61.845   11.007   88.438   19.596  160.084   14.712  187.580   22.353 -27.49580 26.76033 
1 1 1    3   13   52 o  166.731   17.609   74.807   12.071   78.399   14.633   67.156   21.355  178.233   17.567  155.229   30.524 23.00421 35.21854 
1 1 1    3   13   53 o   89.149   18.578   21.332   8.2386   21.378   11.057   21.276   12.352   89.379   25.319   88.919   27.195 0.4597473 37.15686 
1 1 1    3   13   54 o   67.332   14.551   11.440   5.4985   17.278   7.3981   4.2353   8.2186   81.448   19.660   53.215   21.457 28.23370 29.10146 
1 1 1    3   13   55 o   84.069   16.534   18.613   6.6270   21.792   10.548   16.541   8.5181   89.370   24.516   78.768   22.191 10.60151 33.06741 
1 1 1    3   13   56 o   48.552   13.851   2.6641   5.1449   6.7453   6.8604  -2.5815   7.7777   55.171   20.272   41.934   18.879 13.23724 27.70128 
1 1 1    3   13   57 o   58.689   14.564   7.9342   4.8888   6.0644   6.3013   10.762   7.7488   52.583   19.411   64.795   21.718 -12.21222 29.12863 
1 1 1    3   13   58 o   43.759   13.596  -0.5083   5.3616  -0.3992   7.6549  -0.6133   7.5119   44.098   19.349   43.420   19.106 0.6786423 27.19228 
1 1 1    3   13   59 o   76.918   15.060   16.104   5.8890   9.9053   8.3484   22.243   8.3084   62.798   22.461   91.038   20.068 -28.24022 30.12000 
1 1 1    3   13   60 o   58.109   16.047   7.3939   6.4919   10.404   8.2333   2.4470   10.555   62.951   22.328   53.267   23.053 9.683578 32.09351 
1 1 1    3   13   61 o   64.376   16.274   6.5982   5.9061   1.5265   6.8481   21.324   11.669   44.269   18.853   84.483   26.531 -40.21439 32.54741 
1 1 1    3   13   62 o   36.657   12.575  -9.3099   5.2758 -10.7608   6.0496  -4.7019   10.781   27.755   13.618   45.560   21.144 -17.80547 25.15011 
1 1 1    3   13   63 o   59.288   14.690   8.9095   5.1754   14.402   7.9457   4.8624   6.8207   69.759   21.891   48.818   19.595 20.94049 29.38013 
1 1 1    3   13   64 o   43.661   11.854  -0.0284   4.1165   9.7322   6.2018  -7.7150   5.5037   59.219   19.414   28.103   13.609 31.11613 23.70892 
1 1 1    3   13   65 o   54.352   13.827   8.3458   4.4815   8.0469   6.5171   8.6139   6.1726   53.739   19.756   54.965   19.350 -1.226734 27.65402 
1 1 1    3   13   66 o  104.858   12.169   31.265   5.7126   26.225   8.2529   35.901   7.9154   93.802   19.463  115.915   14.611 -22.11237 24.33760 
1 1 1    3   13   67 o   34.509   11.191  -5.1069   4.6151   2.8775   6.1441 -15.4444   6.9911   42.125   17.896   26.894   13.441 15.23101 22.38157 
1 1 1    3   13   68 o   98.769   14.338   30.751   6.3315   30.346   8.3350   31.303   9.7354  100.285   18.464   97.253   21.941 3.032562 28.67654 
1 1 1    3   14    0 o  879.281   74.877  2012.05  418.424  2012.05  418.424  2012.05  418.424  879.281  105.892  879.281  105.892 -0.000000 0.000000 
1 1 1    3   14    1 o  381.456   20.906  345.672   36.998  393.306   52.336  298.085   52.310  408.162   27.436  354.751   31.552 53.41092 41.81208 
1 1 1    3   14    2 o  405.927   21.949  391.835   41.347  338.990   58.456  444.746   58.493  378.055   33.085  433.798   28.852 -55.74274 43.89787 
1 1 1    3   14    3 o  439.701   32.700  522.336   53.763  364.812  107.477  574.907   62.089  385.835   59.603  493.567   26.917 -107.7321 65.39934 
1 1 1    3   14    4 o  396.108   25.677  382.060   40.547  355.994   81.106  390.745   46.817  384.982   45.078  407.234   24.599 -22.25204 51.35346 
1 1 1    3   14    5 o  553.539   44.638  893.016   85.107  539.432  170.146  1011.00   98.286  453.957   83.267  653.121   32.200 -199.1644 89.27594 
1 1 1    3   14    6 o  285.393   17.030  179.477   20.217  219.423   40.480  166.202   23.335  304.739   28.423  266.047   18.768 38.69174 34.06005 
1 1 1    3   14    7 o  589.865   28.751  853.956   76.252  735.338  120.537  933.095   98.455  552.698   46.665  627.032   33.597 -74.33356 57.50128 
1 1 1    3   14    8 o  664.404   37.445  1000.21  103.478  1235.05  206.960  921.929  119.486  707.974   62.550  620.833   41.181 87.14142 74.88914 
1 1 1    3   14    9 o  437.488   31.822  515.114   52.200  363.138  104.314  565.886   60.293  385.248   57.937  489.728   26.343 -104.4798 63.64494 
1 1 1    3   14   10 o  124.270   12.933   38.099   6.7030   40.408   8.1787   33.373   11.699  131.336   13.325  117.205   22.170 14.13162 25.86586 
1 1 1    3   14   11 o  371.069   20.452  325.847   35.425  307.357   50.093  344.345   50.104  360.405   29.740  381.732   28.085 -21.32767 40.90493 
1 1 1    3   14   12 o  536.782   28.367  694.711   70.176  824.910   99.267  564.636   99.220  588.654   36.083  484.909   43.782 103.7450 56.73494 
1 1 1    3   14   13 o  398.048   21.230  344.253   37.824  505.439   65.645  264.146   46.278  462.000   30.403  334.096   29.639 127.9036 42.45910 
1 1 1    3   14   14 o  995.823   74.787  2697.52  323.841  2644.55  560.884  2724.01  396.631  961.205  124.857  1030.44   82.361 -69.23645 149.5750 
1 1 1    3   14   15 o  607.194   38.494  878.298  103.917  965.040  179.946  834.895  127.287  625.708   61.536  588.680   46.266 37.02747 76.98830 
1 1 1    3   14   16 o  841.487   55.179  1723.28  208.046  2113.18  360.349  1528.33  254.803  902.504   85.434  780.471   69.856 122.0325 110.3580 
1 1 1    3   14   17 o  675.899   77.938  1177.09  246.193   0.0000   0.0000  1177.09  246.193  ?   ?   675.899   77.938      ?      ? 
1 1 1    3   14   18 o  689.844   81.236  1253.25  261.905  1253.25  261.905   0.0000   0.0000  689.844   81.236  ?   ?       ?      ? 
1 1 1    3   14   20 o  256.473   16.954  147.756   19.531  129.452   23.952  184.080   33.741  234.208   21.882  278.738   25.901 -44.52969 33.90722 
1 1 1    3   14   21 o  227.089   14.558  115.671   14.861  101.583   18.245  143.434   25.613  207.719   18.795  246.458   22.237 -38.73915 29.11579 
1 1 1    3   14   22 o  293.960   15.431  205.513   20.949  169.076   29.547  242.346   29.707  267.302   23.652  320.617   19.826 -53.31589 30.86197 
1 1 1    3   14   23 o  338.898   18.866  275.503   29.398  219.220   41.515  332.111   41.635  303.268   29.291  374.529   23.786 -71.26105 37.73253 
1 1 1    3   14   24 o  252.730   13.901  151.785   16.193  122.525   22.805  181.539   22.997  227.757   21.424  277.702   17.719 -49.94508 27.80240 
1 1 1    3   14   25 o  149.988   10.652   52.857   7.4654   52.207   10.447   53.535   10.672  149.051   14.998  150.926   15.130 -1.875793 21.30353 
1 1 1    3   14   26 o  509.608   27.390  632.857   65.092  679.274   92.056  586.442   92.052  529.097   37.228  490.120   40.187 38.97699 54.78099 
1 1 1    3   14   27 o  154.694   11.215   56.462   8.0601   49.114   11.329   63.994   11.469  144.409   16.787  164.979   14.875 -20.56932 22.42937 
1 1 1    3   14   28 o  376.416   20.986  340.614   36.714  300.074   51.875  381.298   51.968  353.339   31.414  399.493   27.834 -46.15454 41.97119 
1 1 1    3   14   29 o  495.597   27.551  606.299   63.807  598.048   90.216  614.557   90.258  492.040   39.232  499.155   38.691 -7.115112 55.10109 
1 1 1    3   14   30 o  171.878   12.184   70.350   9.7239   78.318   13.626   62.082   13.881  182.006   16.019  161.750   18.362 20.25569 24.36776 
1 1 1    3   14   31 o  259.659   14.918  160.942   18.098  155.949   25.501  166.010   25.690  255.535   21.353  263.784   20.839 -8.249695 29.83633 
1 1 1    3   14   32 o  382.359   20.659  357.441   36.674  312.129   51.860  402.767   51.868  357.000   31.083  407.719   27.221 -50.71948 41.31741 
1 1 1    3   14   33 o   99.871   14.926   24.125   6.4053   23.096   7.7797   26.290   11.286   97.167   17.787  102.576   23.973 -5.409325 29.85134 
1 1 1    3   14   34 o   70.798   15.067   11.537   6.2808   19.784   8.2248   0.0005   9.7279   89.297   20.183   52.300   22.376 36.99694 30.13354 
1 1 1    3   14   35 o   67.569   15.842   10.364   6.1403   14.600   8.1032   4.6523   9.4100   76.847   21.641   58.290   23.143 18.55686 31.68495 
1 1 1    3   14   36 o  241.920   21.128  145.776   23.748  127.718   33.357  164.337   33.819  225.831   31.605  258.009   28.047 -32.17802 42.25512 
1 1 1    3   14   37 f   56.658   12.328   6.0514   4.1351  -0.2303   5.5967   13.603   6.1363   39.378   16.913   73.937   17.941 -34.55880 24.65616 
1 1 1    3   14   38 o   78.283   14.748   14.809   5.2849   13.562   6.5089   17.223   9.0539   73.754   18.821   82.811   22.712 -9.057426 29.49696 
1 1 1    3   14   39 o  141.176   17.446   61.004   9.7962   79.444   12.055   25.145   16.811  182.815   14.109   99.537   31.912 83.27824 34.89198 
1 1 1    3   14   40 o   45.455   19.486  -0.0003   7.4042  -0.0003   7.4042   0.0000   0.0000   45.455   19.486  ?   ?       ?      ? 
1 1 1    3   14   41 o  257.288   23.780  173.230   28.300  198.902   40.020  147.555   40.023  278.640   30.732  235.936   36.297 42.70361 47.55994 
1 1 1    3   14   42 o  310.164   40.872  268.190   59.246  268.190   59.246   0.0000   0.0000  310.164   40.872  ?   ?       ?      ? 
1 1 1    3   14   43 o   62.919   14.685   9.7193   5.3026   13.059   6.3681   2.1667   9.5760   71.885   18.757   53.953   22.600 17.93229 29.36946 
1 1 1    3   14   44 o  287.451   21.322  211.441   27.008  207.191   33.093  219.919   46.735  287.775   24.606  287.128   34.828 0.6470947 42.64314 
1 1 1    3   14   45 o  135.575   14.911   45.802   8.7255   46.381   14.861   45.497   10.779  134.085   24.622  137.065   16.827 -2.980011 29.82299 
1 1 1    3   14   46 o  204.064   13.342  102.404   12.723  101.261   17.898  103.572   18.091  202.910   18.874  205.218   18.863 -2.308151 26.68366 
1 1 1    3   14   47 o  167.283   14.621   66.243   10.993   82.308   18.937   58.079   13.500  180.958   22.392  153.608   18.805 27.34940 29.24134 
1 1 1    3   14   48 o  199.069   13.544   98.029   12.525  108.693   17.601   87.088   17.827  210.748   17.870  187.389   20.356 23.35887 27.08744 
1 1 1    3   14   49 o  252.912   23.768  183.333   24.225  201.189   29.646  147.446   42.028  283.167   22.401  222.657   41.927 60.50984 47.53625 
1 1 1    3   14   50 o  129.262   10.752   38.682   6.3460   32.288   8.0067   49.485   10.408  115.626   14.817  142.898   15.584 -27.27176 21.50339 
1 1 1    3   14   51 o  218.909   15.400  112.808   13.954  103.252   16.076  142.008   28.101  205.021   16.778  232.797   25.829 -27.77644 30.79957 
1 1 1    3   14   52 o  173.022   17.000   80.471   11.010   83.536   12.686   71.115   22.165  185.702   14.618  160.341   30.697 25.36168 33.99939 
1 1 1    3   14   53 f   80.045   16.613   17.759   6.6605   20.403   8.0595   12.064   11.829   88.510   19.960   71.581   26.562 16.92834 33.22514 
1 1 1    3   14   54 o   96.920   16.701   25.547   7.3936   24.353   11.791   26.321   9.4912   93.820   25.995  100.020   20.974 -6.199677 33.40184 
1 1 1    3   14   55 o  187.870   13.566   89.406   11.866   80.304   16.630   98.847   16.937  177.454   20.052  198.288   18.277 -20.83414 27.13154 
1 1 1    3   14   56 o  111.210   13.718   35.374   6.3376   43.691   8.0282   21.621   10.324  134.053   12.814   88.367   24.260 45.68689 27.43660 
1 1 1    3   14   57 o   77.787   13.318   17.550   5.3910   24.674   6.7928   5.4269   8.8611  100.019   14.532   55.555   22.322 44.46394 26.63567 
1 1 1    3   14   58 o   79.945   15.868   17.626   6.1647   17.954   8.9569   17.329   8.4977   80.508   22.781   79.382   22.094 1.126450 31.73536 
1 1 1    3   14   59 o  126.017   15.697   39.488   8.5735   31.802   10.239   57.517   15.682  107.680   21.101  144.354   23.245 -36.67419 31.39412 
1 1 1    3   14   60 o   60.654   15.544   9.2035   5.2145   9.6008   5.9462   7.8804   10.851   60.199   18.945   61.109   24.649 -0.9101257 31.08856 
1 1 1    3   14   61 o   46.818   13.578   3.3814   4.7938   4.9114   6.4004   1.4263   7.2350   49.002   19.202   44.635   19.202 4.367538 27.15559 
1 1 1    3   14   62 o   96.928   15.985   27.119   6.5489   26.425   7.6116   29.097   12.850  100.285   16.240   93.571   27.538 6.714020 31.97030 
1 1 1    3   14   63 o   73.704   16.433   14.524   5.7256   12.098   6.6447   21.521   11.283   65.310   19.941   82.098   26.126 -16.78773 32.86665 
1 1 1    3   14   64 o   73.135   13.711   16.012   5.8466   2.9885   8.5225   27.591   8.0356   47.464   20.628   98.806   18.067 -51.34186 27.42188 
1 1 1    3   14   65 o   56.977   13.106   8.9054   4.3720   14.731   6.3678   3.7101   6.0133   70.151   18.968   43.802   18.090 26.34942 26.21139 
1 1 1    3   14   66 o   44.874   11.965   2.4608   4.3215  -7.2537   6.3886   10.656   5.8677   30.532   14.755   59.215   18.840 -28.68298 23.93029 
1 1 1    3   14   67 o   48.053   11.882   3.8768   4.5529   13.246   5.9146  -9.7487   7.1327   65.615   18.493   30.492   14.925 35.12300 23.76472 
1 1 1    3   15    0 o  915.692   47.294  2051.36  282.717  2051.36  282.717  2051.36  282.717  915.692   66.883  915.692   66.883 -0.000000 0.000000 
1 1 1    3   15    1 o  274.346   13.756  173.884   17.382  193.717   27.516  160.712   22.423  287.065   20.510  261.626   18.339 25.43930 27.51289 
1 1 1    3   15    2 o  577.533   51.799  1023.11   99.745  553.642  199.400  1179.79  115.194  450.636   97.511  704.431   34.990 -253.7946 103.5988 
1 1 1    3   15    3 o  225.319   14.444  113.280   13.445  132.446   26.982  106.948   15.508  237.072   24.353  213.566   15.537 23.50555 28.88735 
1 1 1    3   15    4 o  182.926   12.313   72.614   10.081  101.221   17.635   58.726   12.287  207.636   18.173  158.216   16.617 49.41994 24.62505 
1 1 1    3   15    5 o  765.748   62.551  1529.45  222.000  1325.45  313.926  1733.52  313.985  708.743   94.775  822.752   81.658 -114.0089 125.1014 
1 1 1    3   15    6 o  1141.53  111.878  4306.28  492.865  3218.97  853.632  4850.00  603.647  928.547  202.420  1354.52   95.358 -425.9708 223.7563 
1 1 1    3   15    7 o  545.266   27.737  716.468   69.660  853.583   98.538  579.485   98.490  599.043   35.197  491.488   42.878 107.5551 55.47373 
1 1 1    3   15    8 o  190.089   15.875   92.396   12.626   66.647   21.679  105.614   15.532  167.958   27.618  212.219   15.661 -44.26074 31.74938 
1 1 1    3   15    9 o  865.615   75.035  2043.61  299.484  2375.41  423.539  1711.82  423.530  947.630   95.634  783.599  115.650 164.0317 150.0695 
1 1 1    3   15   10 o  738.641   40.893  1324.32  133.379  1373.55  230.989  1299.70  163.365  743.385   66.487  733.897   47.630 9.488647 81.78695 
1 1 1    3   15   11 o  417.888   27.363  430.555   49.381  378.950   85.464  456.417   60.502  396.599   46.109  439.177   29.477 -42.57733 54.72638 
1 1 1    3   15   12 o  542.566   34.336  714.774   81.785  705.220  141.603  719.556  100.184  536.535   56.472  548.598   39.075 -12.06311 68.67265 
1 1 1    3   15   13 o  415.655   32.632  418.103   63.312  395.053   89.530  441.160   89.543  403.788   47.443  427.521   44.816 -23.73318 65.26347 
1 1 1    3   15   15 o  524.396   41.676  692.315  100.562  823.336  142.251  561.421  142.182  577.823   52.677  470.969   64.597 106.8534 83.35214 
1 1 1    3   15   16 o  375.193   30.285  342.074   52.921  310.682   74.881  373.401   74.801  357.301   44.843  393.085   40.718 -35.78366 60.57073 
1 1 1    3   15   17 o  524.621   35.499  697.888   80.198  739.112   98.240  615.530  138.856  554.186   37.931  495.055   60.016 59.13089 70.99779 
1 1 1    3   15   18 o  602.292   41.875  910.729  110.636  911.445  135.511  909.297  191.596  610.077   47.528  594.508   68.958 15.56958 83.75037 
1 1 1    3   15   19 o  384.681   21.907  355.827   38.912  417.602   55.014  293.977   55.047  419.066   28.090  350.296   33.624 68.76962 43.81356 
1 1 1    3   15   20 o  141.462   11.785   45.104   7.4877   40.510   9.2003   54.116   12.886  131.325   14.990  151.599   18.188 -20.27451 23.56916 
1 1 1    3   15   21 o  568.000   37.783  824.048   92.663  744.282  160.495  863.933  113.490  539.398   63.666  596.602   40.703 -57.20398 75.56538 
1 1 1    3   15   22 o  158.180   10.805   58.840   7.9796   60.052   11.115   57.552   11.462  159.885   14.876  156.475   15.674 3.409195 21.60927 
1 1 1    3   15   23 o  447.399   23.864  482.274   49.789  446.307   70.399  518.266   70.425  430.194   35.016  464.605   32.434 -34.41037 47.72885 
1 1 1    3   15   24 o   86.976   13.024   17.774   5.0509   14.612   6.4410   22.824   8.1396   77.191   18.158   96.761   18.676 -19.56994 26.04824 
1 1 1    3   15   25 o  743.847   56.286  1523.37  181.773  1540.95  222.643  1488.24  314.791  772.484   61.670  715.211   94.177 57.27258 112.5724 
1 1 1    3   15   26 o  285.359   16.593  193.904   22.039  213.109   31.106  174.546   31.230  299.826   22.199  270.892   24.668 28.93399 33.18594 
1 1 1    3   15   27 o  187.084   12.105   82.682   10.584   82.611   14.903   82.755   15.034  187.011   17.051  187.158   17.188 -0.1469421 24.21085 
1 1 1    3   15   28 o  159.761   11.173   60.235   8.3347   56.865   11.562   63.881   12.026  155.099   15.950  164.424   15.650 -9.324585 22.34603 
1 1 1    3   15   29 o  239.020   14.214  136.573   15.745  115.613   22.097  158.189   22.440  219.998   21.492  258.041   18.608 -38.04340 28.42820 
1 1 1    3   15   30 o  619.274   36.826  1022.41  104.833  1210.74  148.283  834.209  148.230  684.310   46.365  554.239   57.226 130.0710 73.65187 
1 1 1    3   15   31 o   73.334   15.145   11.695   5.0786   9.6211   5.9577   17.206   9.7134   63.161   18.793   83.507   23.757 -20.34589 30.29094 
1 1 1    3   15   32 o  181.495   13.472   72.363   10.871   59.809   13.127   99.772   19.396  158.637   17.706  204.353   20.309 -45.71562 26.94365 
1 1 1    3   15   33 o  145.197   17.774   53.154   11.491   65.764   15.960   39.582   16.557  165.663   20.614  124.731   28.960 40.93264 35.54709 
1 1 1    3   15   34 o  104.022   13.064   24.430   6.0240   34.893   10.219   18.857   7.4576  120.860   18.091   87.184   18.852 33.67628 26.12825 
1 1 1    3   15   35 o  214.419   19.132  114.019   18.903   92.284   26.499  136.535   26.971  192.443   29.464  236.396   24.413 -43.95258 38.26376 
1 1 1    3   15   36 o   64.552   18.957   10.201   6.0954   10.201   6.0954   0.0000   0.0000   64.552   18.957  ?   ?       ?      ? 
1 1 1    3   15   37 o  253.556   21.338  155.890   25.285  155.890   25.285   0.0000   0.0000  253.556   21.338  ?   ?       ?      ? 
1 1 1    3   15   38 o  166.028   25.337   68.115   19.660   68.115   19.660   0.0000   0.0000  166.028   25.337  ?   ?       ?      ? 
1 1 1    3   15   39 o  145.005   14.550   50.396   9.1075   53.074   16.529   49.229   10.914  146.677   24.113  143.334   16.292 3.342468 29.10099 
1 1 1    3   15   40 o  111.467   14.465   29.292   6.8638   35.218   12.545   26.761   8.2001  117.472   23.668  105.461   16.637 12.01054 28.93048 
1 1 1    3   15   41 o   87.404   24.753   19.739   10.570   0.0000   0.0000   19.739   10.570  ?   ?    87.404   24.753      ?      ? 
1 1 1    3   15   42 o   60.066   14.802   6.1161   4.9176   2.8540   5.8667   13.824   9.0179   45.758   18.240   74.374   23.318 -28.61612 29.60455 
1 1 1    3   15   43 o  104.321   15.386   29.860   6.8511   34.122   8.2838   20.632   12.188  119.301   14.857   89.340   26.947 29.96167 30.77106 
1 1 1    3   15   44 o  179.897   17.826   82.043   14.846   68.754   20.615   96.359   21.397  163.760   26.936  196.035   23.355 -32.27493 35.65120 
1 1 1    3   15   45 o   79.652   13.811   16.316   5.1061   17.454   7.0227   15.041   7.4374   82.800   18.602   76.503   20.420 6.296829 27.62294 
1 1 1    3   15   46 o   77.661   13.889   10.837   5.6681   30.611   9.9421   1.3152   6.8991  109.737   20.128   45.584   19.143 64.15298 27.77699 
1 1 1    3   15   47 o  166.407   12.806   68.761   9.6494   49.545   13.515   88.742   13.781  141.281   20.469  191.533   15.396 -50.25275 25.61287 
1 1 1    3   15   48 o  197.915   13.327   96.265   12.320   92.246   17.323  100.379   17.525  193.577   19.148  202.252   18.541 -8.674713 26.65400 
1 1 1    3   15   49 o   76.646   16.387   13.737   6.0653   10.723   7.3291   20.285   10.804   65.719   21.071   87.573   25.103 -21.85362 32.77458 
1 1 1    3   15   50 o   91.877   13.970   21.769   5.8068   21.340   7.9033   22.273   8.5601   91.096   19.171   92.658   20.326 -1.562103 27.94044 
1 1 1    3   15   51 o   63.772   15.008   9.9845   5.9095   15.092   7.0856  -1.6869   10.711   76.429   19.709   51.116   22.638 25.31327 30.01537 
1 1 1    3   15   52 o   88.866   16.497   19.769   6.5992   16.820   7.9928   26.084   11.696   79.933   21.090   97.799   25.373 -17.86669 32.99371 
1 1 1    3   15   53 o   57.345   16.471   4.8999   6.8940   3.2132   9.2953   6.9618   10.278   53.612   22.345   61.077   24.206 -7.464859 32.94292 
1 1 1    3   15   54 o   99.205   15.252   23.511   7.0566   40.459   11.708   13.840   8.8435  126.033   19.876   72.376   23.140 53.65681 30.50461 
1 1 1    3   15   55 o   93.502   15.747   24.674   6.1883   26.168   7.0769   19.821   12.756  103.115   14.685   83.890   27.860 19.22459 31.49315 
1 1 1    3   15   56 o  128.055   15.471   43.088   7.6348   42.662   8.7639   44.430   15.550  131.651   14.244  124.458   27.469 7.193542 30.94240 
1 1 1    3   15   57 o   79.261   17.113   18.428   7.0676   11.539   12.873   21.400   8.4561   69.559   27.239   88.963   20.724 -19.40324 34.22587 
1 1 1    3   15   58 f   44.492   14.365  -2.7013   5.8985  -3.5844   6.9230  -0.3623   11.267   37.514   17.242   51.470   22.980 -13.95651 28.72952 
1 1 1    3   15   59 o   68.235   15.403   13.304   5.3881   14.828   6.1239   8.0806   11.337   74.504   17.826   61.967   25.125 12.53634 30.80687 
1 1 1    3   15   60 o  150.053   18.553   70.864   10.240   75.523   11.782   56.480   20.702  172.938   14.578  127.168   34.123 45.76945 37.10672 
1 1 1    3   15   61 o   94.437   13.356   24.131   5.6324   19.854   7.3091   30.384   8.8375   84.047   19.048  104.827   18.726 -20.78006 26.71133 
1 1 1    3   15   62 o   44.439   12.991   1.0205   4.6734  -3.9480   6.2246   7.4401   7.0754   34.365   15.988   54.512   20.480 -20.14709 25.98170 
1 1 1    3   15   63 o   81.051   14.318   19.834   5.4285   21.729   7.2329   17.390   8.2146   87.369   18.300   74.733   22.025 12.63583 28.63527 
1 1 1    3   15   64 o  149.052   12.134   60.269   8.3461   51.062   10.852   73.597   13.057  135.499   17.138  162.606   17.182 -27.10732 24.26779 
1 1 1    3   15   65 o   50.126   13.058   5.8693   4.8084   12.264   6.3258  -2.8814   7.4001   62.963   19.496   37.289   17.376 25.67408 26.11556 
1 1 1    3   15   66 o   55.978   14.309   9.9464   4.8582   11.203   5.8101   7.0260   8.8575   60.370   18.683   51.587   21.678 8.783318 28.61802 
1 1 1    3   15   67 o   63.361   14.882   13.877   5.4913   19.078   7.7262   8.5666   7.8062   74.731   21.163   51.991   20.930 22.73931 29.76428 
1 1 1    3   16    0 o   53.953   15.996   9.6247   5.7275   9.6247   5.7275   9.6247   5.7275   53.953   22.622   53.953   22.622 -0.000000 0.000000 
1 1 1    3   16    1 o  376.329   29.513  340.332   51.656  302.548   73.028  378.167   73.077  354.834   44.037  397.823   39.305 -42.98859 59.02695 
1 1 1    3   16    2 o  178.396   16.092   74.952   13.410   72.123   18.943   77.794   18.985  174.996   23.162  181.796   22.345 -6.799698 32.18402 
1 1 1    3   16    4 o  194.688   24.092   89.338   21.921   0.0000   0.0000   89.338   21.921  ?   ?   194.688   24.092      ?      ? 
1 1 1    3   16    6 o  501.184   55.668  615.511  130.390   0.0000   0.0000  615.511  130.390  ?   ?   501.184   55.668      ?      ? 
1 1 1    3   16    7 o  513.797   29.549  625.757   70.953   0.0000   0.0000  625.757   70.953  ?   ?   513.797   29.549      ?      ? 
1 1 1    3   16    8 o  479.011   30.745  542.829   65.422  590.318  113.311  519.083   80.126  492.224   49.257  465.799   36.807 26.42505 61.48965 
1 1 1    3   16    9 o  415.312   32.460  419.570   62.832  385.034   88.806  454.188   88.911  397.507   47.803  433.117   43.925 -35.60931 64.91911 
1 1 1    3   16   10 o  225.454   16.178  116.932   16.268  130.202   28.112  110.251   19.948  234.528   25.648  216.381   19.726 18.14763 32.35627 
1 1 1    3   16   11 o  430.380   48.207  453.377   96.963  453.377   96.963   0.0000   0.0000  430.380   48.207  ?   ?       ?      ? 
1 1 1    3   16   12 o  568.216   44.097  784.722  117.103  784.722  117.103   0.0000   0.0000  568.216   44.097  ?   ?       ?      ? 
1 1 1    3   16   13 o  155.745   15.069   62.773   9.5003   71.102   11.650   46.238   16.414  174.065   14.321  137.425   26.518 36.64021 30.13790 
1 1 1    3   16   14 o  511.838   38.307  692.187   82.206  770.237  100.704  536.301  142.320  565.515   38.103  458.161   66.467 107.3538 76.61374 
1 1 1    3   16   15 o  539.486   37.581  726.646   88.665  736.542  108.604  706.865  153.540  550.827   42.188  528.145   62.205 22.68237 75.16154 
1 1 1    3   16   16 f  251.926   14.871  149.853   17.495  142.775   24.690  156.991   24.794  245.894   21.485  257.957   20.566 -12.06384 29.74160 
1 1 1    3   16   17 o  163.229   10.737   62.612   8.1875   63.332   11.457   61.861   11.705  164.202   14.929  162.256   15.436 1.946991 21.47433 
1 1 1    3   16   18 o  463.070   29.738  520.377   60.625  517.604   74.255  525.920  104.992  464.332   34.218  461.808   48.647 2.524078 59.47575 
1 1 1    3   16   19 o  293.433   15.825  207.645   20.969  146.258   29.517  270.186   29.794  248.264   25.440  338.602   18.827 -90.33760 31.64931 
1 1 1    3   16   20 o  453.992   39.244  526.936   80.857  661.166  114.315  392.544  114.383  517.304   47.284  390.679   62.647 126.6250 78.48824 
1 1 1    3   16   21 o  297.945   21.608  219.607   27.810  232.681   34.085  193.577   48.096  313.211   23.285  282.679   36.406 30.53281 43.21560 
1 1 1    3   16   22 o  173.220   11.651   71.434   9.2840   85.406   13.085   57.270   13.174  190.602   14.690  155.837   18.089 34.76410 23.30233 
1 1 1    3   16   23 f  482.728   25.743  566.960   57.650  490.331   81.486  643.749   81.571  448.735   38.855  516.720   33.778 -67.98495 51.48522 
1 1 1    3   16   24 o  253.974   14.645  152.809   17.379  155.920   24.522  149.670   24.634  256.614   20.447  251.333   20.972 5.281113 29.29050 
1 1 1    3   16   25 o  160.825   14.150   60.233   10.127   65.304   17.484   57.673   12.424  165.464   22.610  156.186   17.020 9.277557 28.29980 
1 1 1    3   16   26 o  249.494   14.857  148.448   17.322  149.082   24.370  147.800   24.626  250.071   20.852  248.917   21.169 1.153442 29.71392 
1 1 1    3   16   27 o  395.352   22.184  382.707   40.980  390.875   57.904  374.510   58.005  399.797   30.990  390.907   31.750 8.889923 44.36749 
1 1 1    3   16   28 o   64.379   13.118   10.111   4.2748   12.791   5.8291   6.9923   6.2878   72.028   17.491   56.730   19.555 15.29787 26.23653 
1 1 1    3   16   29 o  189.504   19.388   89.129   16.468  105.577   23.122   72.194   23.461  209.582   23.606  169.426   30.763 40.15601 38.77641 
1 1 1    3   16   30 o  115.711   15.564   35.919   7.3824   40.664   8.8715   25.234   13.312  131.173   14.471  100.248   27.559 30.92480 31.12765 
1 1 1    3   16   31 o  209.395   19.118  106.888   18.707  106.536   26.243  107.251   26.674  209.104   26.854  209.686   27.220 -0.5821075 38.23669 
1 1 1    3   16   32 o  152.648   22.750   56.324   16.230   56.324   16.230   0.0000   0.0000  152.648   22.750  ?   ?       ?      ? 
1 1 1    3   16   33 o  142.344   16.339   50.300   10.492   58.017   14.735   42.367   14.941  155.182   20.318  129.506   25.594 25.67613 32.67805 
1 1 1    3   16   34 o   87.140   22.510   19.126   9.2319   19.126   9.2319   0.0000   0.0000   87.140   22.510  ?   ?       ?      ? 
1 1 1    3   16   35 o  180.018   24.510   79.406   20.621   79.406   20.621   0.0000   0.0000  180.018   24.510  ?   ?       ?      ? 
1 1 1    3   16   36 o  291.999   27.880  231.770   35.075  307.569   49.720  156.679   49.487  348.883   30.494  235.115   46.684 113.7676 55.76042 
1 1 1    3   16   37 o  156.434   13.359   53.664   9.3068   81.231   16.353   40.459   11.318  183.372   19.082  129.497   18.702 53.87427 26.71881 
1 1 1    3   16   38 o  228.870   21.214  133.668   22.667  127.278   32.072  140.046   32.041  222.891   30.789  234.848   29.193 -11.95682 42.42849 
1 1 1    3   16   39 o  128.454   17.657   42.370   10.168   43.135   15.234   41.756   13.655  128.982   26.168  127.925   23.714 1.056900 35.31403 
1 1 1    3   16   40 o  280.016   25.902  214.079   33.657  240.614   47.783  187.948   47.417  299.961   34.085  260.071   39.012 39.88992 51.80452 
1 1 1    3   16   41 o  205.923   19.587  108.092   18.817  101.174   26.592  115.030   26.631  198.737   28.630  213.108   26.739 -14.37111 39.17463 
1 1 1    3   16   42 o   74.364   14.944   14.454   5.4450   16.514   6.7574   10.641   9.1940   80.915   18.298   67.814   23.631 13.10085 29.88760 
1 1 1    3   16   43 f   65.326   13.937   10.677   4.6828   8.2792   6.8092   12.828   6.4504   59.595   20.357   71.057   19.039 -11.46204 27.87307 
1 1 1    3   16   44 o   45.354   13.050   2.3848   4.3406   2.4623   5.9869   2.2989   6.3022   45.075   18.265   45.634   18.646 -0.5591202 26.10092 
1 1 1    3   16   45 o   86.403   15.752   19.062   6.0819   18.624   7.3365   20.025   10.875   85.537   18.860   87.268   25.234 -1.730583 31.50333 
1 1 1    3   16   46 o  123.504   14.594   36.503   7.8018   32.771   9.4548   44.465   13.812  115.825   17.466  131.184   23.385 -15.35854 29.18818 
1 1 1    3   16   47 f  214.878   20.928  130.471   17.962  146.137   21.975   98.934   31.179  243.592   19.303  186.164   37.139 57.42833 41.85557 
1 1 1    3   16   48 o   60.701   12.702   6.2444   4.8793  -3.7447   6.6223   18.108   7.2169   37.332   17.048   84.070   18.835 -46.73803 25.40468 
1 1 1    3   16   49 o  101.553   15.851   27.194   7.0088   28.145   8.4673   25.124   12.491  107.060   16.923   96.047   26.807 11.01308 31.70186 
1 1 1    3   16   50 o  130.912   18.877   48.625   11.498   70.520   15.849   24.297   16.707  167.798   20.211   94.026   31.888 73.77251 37.75346 
1 1 1    3   16   51 o  195.498   21.159  106.492   18.186   76.952   25.294  138.098   26.164  161.281   34.595  229.715   24.371 -68.43445 42.31752 
1 1 1    3   16   52 o  125.341   18.527   43.553   10.656   50.945   14.577   35.068   15.617  140.338   22.226  110.345   29.649 29.99268 37.05456 
1 1 1    3   16   53 o  192.852   16.668   94.729   14.418  110.296   24.669   86.652   17.768  201.971   26.135  183.733   20.693 18.23781 33.33524 
1 1 1    3   16   54 o   74.641   15.591   16.071   6.4535   21.499   7.8191   4.4725   11.430   90.512   19.086   58.771   24.658 31.74135 31.18114 
1 1 1    3   16   55 o  149.976   15.930   60.111   9.1005   60.357   10.470   59.352   18.405  156.532   14.312  143.420   28.464 13.11201 31.85933 
1 1 1    3   16   56 o   41.264   13.315  -3.9004   5.2412  -5.8754   6.3168   0.4638   9.3901   33.314   15.693   49.213   21.515 -15.89901 26.63034 
1 1 1    3   16   57 o   92.536   14.397   23.433   6.0960   18.317   8.4495   28.986   8.8035   80.774   21.853  104.297   18.750 -23.52303 28.79469 
1 1 1    3   16   58 o   44.084   17.432   3.4210   5.3189   3.4210   5.3189   0.0000   0.0000   44.084   17.432  ?   ?       ?      ? 
1 1 1    3   16   59 o   79.586   16.463   18.042   6.0234   17.712   6.9720   19.012   11.961   80.437   18.872   78.736   26.981 1.700623 32.92548 
1 1 1    3   16   60 o   58.651   13.230   9.2870   4.9556   15.525   6.2899  -0.9218   8.0467   74.624   18.198   42.677   19.209 31.94765 26.46057 
1 1 1    3   16   61 o   44.663   13.271  -0.0123   5.3694  -9.5853   8.1233   7.4151   7.1553   34.786   16.768   54.540   20.574 -19.75407 26.54142 
1 1 1    3   16   62 o   44.915   13.727   1.1104   5.4974   6.4097   7.9436  -3.7607   7.6158   52.034   21.055   37.795   17.617 14.23882 27.45309 
1 1 1    3   16   63 o   61.990   14.608   11.635   4.9094   10.322   6.4305   13.470   7.6013   58.680   19.784   65.300   21.498 -6.619797 29.21596 
1 1 1    3   16   64 o   82.883   13.585   22.730   5.4921   28.815   6.9912   12.921   8.8758  103.624   14.436   62.141   23.018 41.48254 27.17047 
1 1 1    3   16   65 o   37.612   12.022  -0.4161   4.4317  -1.3242   5.7637   0.8974   6.9314   34.771   15.888   40.454   18.046 -5.682636 24.04363 
1 1 1    3   16   66 o   63.946   18.361   17.377   8.5404   20.710   12.798   14.700   11.467   67.439   26.921   60.454   24.976 6.984718 36.72259 
1 1 1    3   17    0 o  352.491   20.149  298.347   46.236  298.347   46.236  298.347   46.236  352.491   28.495  352.491   28.495 -0.000000 0.000000 
1 1 1    3   17    1 o  264.912   18.375  166.241   21.449  166.192   26.290  166.339   37.096  265.462   21.191  264.362   30.025 1.099518 36.74992 
1 1 1    3   17    2 o  498.547   27.055  598.805   62.947  634.758   89.037  562.879   89.004  513.969   37.067  483.125   39.419 30.84418 54.10959 
1 1 1    3   17    3 o  462.072   33.247  538.416   66.151  473.589  114.585  570.823   81.016  436.205   56.207  487.939   35.527 -51.73370 66.49387 
1 1 1    3   17    4 o  531.000   32.784  658.258   77.948  793.927  135.097  590.554   95.436  567.911   50.901  494.089   41.330 73.82217 65.56715 
1 1 1    3   17    5 o  383.713   23.559  333.289   40.557  420.018   70.338  290.091   49.640  418.409   35.971  349.017   30.433 69.39224 47.11750 
1 1 1    3   17    6 o  713.975   47.361  1271.77  150.115  1402.42  260.042  1206.48  183.841  732.092   76.004  695.858   56.530 36.23419 94.72161 
1 1 1    3   17    7 o  486.962   31.866  576.929   68.244  579.322  118.213  575.732   83.577  484.323   52.226  489.601   36.526 -5.277679 63.73147 
1 1 1    3   17    8 o  478.050   22.051  539.174   48.483  576.904   76.657  514.018   62.592  491.136   33.397  464.965   28.804 26.17157 44.10284 
1 1 1    3   17    9 o  498.207   25.466  625.204   55.991  481.936   88.477  720.906   72.313  445.612   42.484  550.802   28.092 -105.1900 50.93185 
1 1 1    3   17   10 o   79.337   9.9755   15.995   3.4431   11.032   5.3076   19.601   4.5242   67.199   16.913   91.475   10.583 -24.27539 19.95091 
1 1 1    3   17   11 o  349.571   28.694  337.525   38.767  209.629   66.982  401.944   47.537  287.238   51.803  411.903   24.694 -124.6649 57.38762 
1 1 1    3   17   12 o  483.202   25.070  561.484   56.606  550.887   80.050  572.083   80.057  478.510   35.795  487.895   35.110 -9.384918 50.13977 
1 1 1    3   17   13 o  132.488   10.155   41.526   6.2134   34.192   8.7792   48.886   8.7950  120.623   15.573  144.353   13.037 -23.73016 20.30967 
1 1 1    3   17   14 o   31.150   8.7161  -0.3471   2.2255   3.3318   3.0620  -4.4667   3.2402   39.607   13.647   22.692   10.846 16.91493 17.43214 
1 1 1    3   17   15 o  351.087   19.470  294.600   31.707  335.264   44.834  253.913   44.847  375.878   25.522  326.296   29.409 49.58148 38.93941 
1 1 1    3   17   16 o  243.533   18.474  147.987   19.230  122.014   33.235  161.059   23.578  225.740   31.503  261.327   19.306 -35.58742 36.94778 
1 1 1    3   17   17 o  376.734   26.677  350.896   43.705  364.002   53.553  324.759   75.628  390.199   29.366  363.268   44.546 26.93091 53.35501 
1 1 1    3   17   18 o   73.175   10.436   12.959   3.4972   10.534   4.9881   15.303   4.9046   65.617   16.331   80.734   12.999 -15.11681 20.87246 
1 1 1    3   17   19 o  108.962   10.124   28.280   5.0650   33.935   7.1105   22.454   7.2167  120.239   12.653   97.685   15.808 22.55356 20.24825 
1 1 1    3   17   20 o  296.968   16.248  209.106   22.550  207.161   31.816  211.069   31.965  295.570   23.033  298.366   22.924 -2.795624 32.49634 
1 1 1    3   17   21 o  268.855   18.904  172.031   22.410  170.761   27.447  174.572   38.812  268.335   21.886  269.374   30.830 -1.039337 37.80863 
1 1 1    3   17   22 o  316.312   25.766  245.736   38.050  232.326   53.598  259.362   54.026  307.231   37.329  325.392   35.527 -18.16113 51.53234 
1 1 1    3   17   23 f  260.322   15.451  162.139   18.741  175.451   26.403  148.622   26.605  271.369   20.818  249.274   22.837 22.09511 30.90224 
1 1 1    3   17   24 f  230.378   18.935  135.434   18.539  108.802   31.968  148.928   22.756  210.551   32.487  250.206   19.461 -39.65535 37.86981 
1 1 1    3   17   25 o  352.068   20.292  301.448   33.370  311.834   47.142  291.019   47.243  358.408   28.144  345.728   29.239 12.68066 40.58323 
1 1 1    3   17   26 o   45.099   13.010   1.2851   4.2184   4.1298   7.0255  -0.3187   5.2752   51.975   20.186   38.222   16.418 13.75343 26.02020 
1 1 1    3   17   27 o  193.464   18.008   90.373   16.260   84.211   22.723   96.839   23.277  186.559   26.061  200.369   24.857 -13.80940 36.01517 
1 1 1    3   17   28 o  325.619   38.915  268.468   59.219  268.468   59.219   0.0000   0.0000  325.619   38.915  ?   ?       ?      ? 
1 1 1    3   17   29 o  133.347   15.794   43.048   9.5966   38.090   12.989   49.007   14.240  123.816   23.302  142.878   21.326 -19.06216 31.58784 
1 1 1    3   17   30 o  138.993   17.418   48.817   10.814   60.283   15.025   36.494   15.577  158.438   20.292  119.549   28.316 38.88986 34.83597 
1 1 1    3   17   31 o  201.104   26.322   99.428   24.739   99.428   24.739   0.0000   0.0000  201.104   26.322  ?   ?       ?      ? 
1 1 1    3   17   32 o  234.572   20.462  137.410   22.228  116.367   31.205  159.084   31.670  215.201   31.027  253.943   26.685 -38.74306 40.92376 
1 1 1    3   17   33 o  109.286   15.945   29.873   8.0073   24.092   11.430   35.445   11.221   97.308   24.999  121.264   19.800 -23.95569 31.89069 
1 1 1    3   17   34 o  147.292   14.831   55.729   9.0624   46.419   15.600   60.471   11.134  135.249   25.618  159.334   14.952 -24.08502 29.66208 
1 1 1    3   17   35 o  118.764   16.459   35.558   8.7873   34.659   11.952   36.616   12.964  117.317   22.619  120.211   23.916 -2.894501 32.91832 
1 1 1    3   17   36 o   39.271   11.959  -0.2234   3.9568  -4.7847   7.0735   1.8539   4.7735   38.034   17.461   40.507   16.346 -2.473175 23.91835 
1 1 1    3   17   37 o   80.559   17.973   16.281   6.5946   0.0000   0.0000   16.281   6.5946  ?   ?    80.559   17.973      ?      ? 
1 1 1    3   17   38 o  232.861   22.203  142.867   23.781  116.806   33.640  168.902   33.623  208.919   34.454  256.803   28.016 -47.88322 44.40655 
1 1 1    3   17   39 o  137.759   15.344   48.967   8.7586   51.614   10.642   43.408   15.420  146.497   15.544  129.020   26.461 17.47665 30.68867 
1 1 1    3   17   40 o  245.557   32.365  158.286   37.143  158.286   37.143   0.0000   0.0000  245.557   32.365  ?   ?       ?      ? 
1 1 1    3   17   41 o   43.344   12.612   1.6845   4.1154   2.4940   5.9910   0.9612   5.6628   45.299   18.300   41.389   17.360 3.909904 25.22456 
1 1 1    3   17   42 o   97.993   13.068   24.399   5.7781   30.961   8.1405   17.736   8.2029  113.124   15.398   82.862   21.120 30.26143 26.13676 
1 1 1    3   17   43 o  136.280   14.667   44.343   8.7518   51.728   15.797   41.072   10.512  142.888   23.657  129.673   17.347 13.21507 29.33483 
1 1 1    3   17   44 o  120.403   11.843   35.289   6.6617   34.940   9.5106   35.625   9.3340  119.748   16.994  121.059   16.498 -1.310585 23.68510 
1 1 1    3   17   45 o   49.205   13.592   3.0251   4.6452   7.2174   7.0702  -0.1588   6.1616   57.445   20.657   40.966   17.672 16.47898 27.18452 
1 1 1    3   17   46 o  154.430   12.066   58.353   8.6551   51.360   12.269   65.282   12.212  144.770   18.133  164.090   15.924 -19.31989 24.13273 
1 1 1    3   17   47 o  100.950   19.234   28.362   9.4391   22.184   14.098   33.381   12.708   90.257   29.255  111.642   24.980 -21.38540 38.46849 
1 1 1    3   17   48 f  123.011   18.928   40.437   10.490   44.236   16.077   37.620   13.844  127.519   27.763  118.503   25.734 9.016106 37.85566 
1 1 1    3   17   49 o  109.048   18.339   32.220   9.2691   26.623   12.898   38.198   13.329   98.455   27.152  119.641   24.658 -21.18508 36.67817 
1 1 1    3   17   50 o  155.516   19.018   65.650   13.474   70.054   18.869   61.068   19.247  163.138   24.748  147.893   28.882 15.24556 38.03508 
1 1 1    3   17   51 o   52.426   15.668   2.3603   6.6071   2.9509   9.2312   1.7400   9.4607   53.024   22.198   51.828   22.117 1.196609 31.33581 
1 1 1    3   17   52 o   74.526   18.285   13.755   7.8220   9.3858   10.241   19.873   12.118   64.626   24.557   84.426   27.098 -19.80067 36.56938 
1 1 1    3   17   53 o  136.639   17.465   52.672   9.9180   56.107   12.058   45.487   17.440  149.435   17.265  123.843   30.365 25.59198 34.93020 
1 1 1    3   17   54 o  109.260   13.241   30.914   6.5941   32.629   9.1930   29.097   9.4638  113.708   17.299  104.813   20.051 8.894585 26.48186 
1 1 1    3   17   55 o  119.627   17.266   41.853   8.8468   33.599   15.394   45.924   10.810  104.733   29.946  134.521   17.195 -29.78765 34.53177 
1 1 1    3   17   56 o   59.097   15.970   8.2956   5.9553   9.2450   7.1215   6.0878   10.860   59.740   20.799   58.454   24.240 1.286369 31.94032 
1 1 1    3   17   57 o   59.684   15.605   9.0256   5.6873   11.046   6.4800   2.2503   11.866   64.019   19.717   55.349   24.192 8.670006 31.20934 
1 1 1    3   17   58 o   55.584   19.756   7.9040   6.4489   7.9040   6.4489   0.0000   0.0000   55.584   19.756  ?   ?       ?      ? 
1 1 1    3   17   59 o   56.798   13.146   8.0027   4.9818   15.144   6.4411  -2.6303   7.8595   73.335   18.727   40.261   18.455 33.07478 26.29267 
1 1 1    3   17   60 o   40.140   12.483  -0.5856   4.5475  -3.1424   6.0223   2.8065   6.9366   34.659   15.985   45.622   19.179 -10.96323 24.96663 
1 1 1    3   17   61 o   48.947   13.837   4.9079   4.7224   2.7010   6.0305   8.4069   7.5934   42.567   17.888   55.327   21.116 -12.75953 27.67408 
1 1 1    3   17   62 o   46.306   13.461   4.3550   4.6022   3.3459   5.9498   5.8580   7.2616   43.093   17.912   49.520   20.098 -6.426540 26.92144 
1 1 1    3   17   63 f   84.041   15.289   22.892   6.2810   15.957   8.7417   30.292   9.0306   68.365   23.067   99.717   20.073 -31.35130 30.57783 
1 1 1    3   17   64 o   59.745   14.347   10.556   4.9057   6.4602   6.4040   16.373   7.6318   48.901   19.194   70.590   21.330 -21.68842 28.69467 
1 1 1    3   17   65 o   50.563   15.286   7.0799   6.1794   5.9452   7.6693   9.1799   10.433   47.662   20.108   53.464   23.029 -5.801903 30.57258 
1 1 1    3   18    0 o  679.232   30.176  1112.94  134.244  1112.94  134.244  1112.94  134.244  679.232   42.676  679.232   42.676 -0.000000 0.000000 
1 1 1    3   18    1 o  256.651   14.878  155.759   17.795  169.242   25.179  142.305   25.153  267.878   20.113  245.423   21.929 22.45506 29.75575 
1 1 1    3   18    2 o  316.140   15.995  236.471   23.143  235.441   36.584  237.158   29.882  315.187   24.836  317.093   20.164 -1.905914 31.99088 
1 1 1    3   18    3 o  220.285   12.759   99.451   11.883  151.551   23.854   82.256   13.704  253.481   20.136  187.089   15.673 66.39267 25.51716 
1 1 1    3   18    4 o  297.705   17.281  193.446   21.498  247.866   43.068  175.387   24.810  322.644   28.562  272.765   19.462 49.87891 34.56225 
1 1 1    3   18    5 o  149.404   13.134   54.953   7.7299   48.118   15.497   57.216   8.9186  142.602   23.253  156.207   12.217 -13.60432 26.26714 
1 1 1    3   18    6 o  256.389   17.088  154.656   20.475   0.0000   0.0000  154.656   20.475  ?   ?   256.389   17.088      ?      ? 
1 1 1    3   18    7 o  195.324   12.124   80.111   9.9805  113.075   19.999   69.178   11.517  219.002   19.539  171.646   14.357 47.35555 24.24702 
1 1 1    3   18    8 o  336.761   26.176  269.257   41.197   0.0000   0.0000  269.257   41.197  ?   ?   336.761   26.176      ?      ? 
1 1 1    3   18    9 o   98.488   10.662   23.410   4.7146   27.384   6.5793   19.216   6.7592  108.037   13.031   88.939   16.879 19.09814 21.32361 
1 1 1    3   18   10 o  563.805   38.844  791.330   96.476  813.334  167.063  780.320  118.173  563.241   63.466  564.369   44.804 -1.127747 77.68729 
1 1 1    3   18   11 o  707.755   39.577  1266.95  129.835  1440.54  183.636  1093.45  183.591  760.216   51.687  655.294   59.948 104.9215 79.15326 
1 1 1    3   18   12 o  537.198   29.001  704.107   72.810  703.481  102.961  704.733  102.977  536.951   41.029  537.446   40.998 -0.4949341 58.00211 
1 1 1    3   18   13 o  234.649   16.357  125.853   17.134  115.702   20.950  146.359   29.776  221.272   20.258  248.026   25.687 -26.75423 32.71460 
1 1 1    3   18   14 o  129.131   10.154   39.393   6.0884   44.134   8.5599   34.538   8.6615  137.086   13.361  121.176   15.294 15.90945 20.30839 
1 1 1    3   18   15 o  292.267   16.422  202.874   22.385  217.821   31.666  187.943   31.648  303.202   22.347  281.331   24.071 21.87146 32.84466 
1 1 1    3   18   16 o  129.776   9.9519   39.688   5.9906   33.782   8.3959   45.813   8.5502  119.864   14.988  139.688   13.097 -19.82426 19.90380 
1 1 1    3   18   17 o  502.482   27.372  616.089   64.269  604.067   90.883  628.115   90.897  497.363   39.099  507.600   38.316 -10.23691 54.74366 
1 1 1    3   18   18 o  178.703   12.125   75.509   10.102   81.396   14.260   69.580   14.312  185.780   16.424  171.625   17.843 14.15517 24.25098 
1 1 1    3   18   19 f  152.108   13.756   55.335   9.2235   53.552   15.798   56.257   11.361  149.835   22.560  154.382   15.746 -4.546906 27.51210 
1 1 1    3   18   20 o   89.308   10.967   19.164   4.4628   19.487   6.0943   18.791   6.5533   90.892   14.347   87.723   16.592 3.168839 21.93490 
1 1 1    3   18   21 o  164.347   10.978   63.926   8.2891   49.422   11.421   80.068   12.049  144.447   16.919  184.248   13.993 -39.80063 21.95541 
1 1 1    3   18   22 o  262.802   16.190  167.793   19.461  205.695   27.454  129.516   27.590  293.831   19.993  231.774   25.471 62.05696 32.38002 
1 1 1    3   18   23 o  244.095   14.684  143.014   16.559  117.794   23.277  168.852   23.560  221.747   22.461  266.443   18.921 -44.69548 29.36786 
1 1 1    3   18   24 o  259.165   16.365  147.790   18.948  115.307   23.077  215.006   33.197  219.300   22.516  299.029   23.754 -79.72946 32.72988 
1 1 1    3   18   25 o   72.277   14.653   13.427   4.9900   15.067   5.7783   8.6167   9.8964   78.328   16.315   66.226   24.346 12.10198 29.30677 
1 1 1    3   18   26 o  360.693   30.866  337.289   52.021  343.504   73.494  331.049   73.642  364.427   43.152  356.959   44.143 7.467987 61.73114 
1 1 1    3   18   27 o  305.683   36.959  237.137   52.800  237.137   52.800   0.0000   0.0000  305.683   36.959  ?   ?       ?      ? 
1 1 1    3   18   28 o  205.283   26.594  103.360   25.514  103.360   25.514   0.0000   0.0000  205.283   26.594  ?   ?       ?      ? 
1 1 1    3   18   29 o   85.297   16.333   18.324   6.7313   21.329   9.4132   15.180   9.6294   92.056   22.149   78.539   24.010 13.51642 32.66570 
1 1 1    3   18   30 o  175.878   17.244   75.668   14.162   72.013   19.961   79.372   20.096  171.429   24.915  180.327   23.846 -8.897751 34.48741 
1 1 1    3   18   31 o  152.832   16.094   56.919   11.456   62.730   16.325   51.281   16.081  160.799   21.724  144.865   23.752 15.93382 32.18832 
1 1 1    3   18   32 o  409.046   34.639  431.794   66.218   0.0000   0.0000  431.794   66.218  ?   ?   409.046   34.639      ?      ? 
1 1 1    3   18   33 o  105.588   14.764   30.529   6.7750   18.211   11.086   37.872   8.5593   85.084   25.708  126.093   14.525 -41.00904 29.52738 
1 1 1    3   18   34 o  236.085   20.395  135.569   22.503   0.0000   0.0000  135.569   22.503  ?   ?   236.085   20.395      ?      ? 
1 1 1    3   18   35 o  101.802   14.144   25.349   6.2766   26.937   10.806   24.540   7.7104  102.585   23.096  101.019   16.332 1.566643 28.28729 
1 1 1    3   18   36 o  219.942   20.512  124.870   20.917  141.985   29.676  107.974   29.487  236.416   26.859  203.468   31.009 32.94739 41.02384 
1 1 1    3   18   37 o  196.042   26.782   97.724   24.538   97.724   24.538   0.0000   0.0000  196.042   26.782  ?   ?       ?      ? 
1 1 1    3   18   38 o  274.961   23.187  187.762   29.796  187.762   29.796   0.0000   0.0000  274.961   23.187  ?   ?       ?      ? 
1 1 1    3   18   39 o  112.764   12.102   31.823   6.0550   38.736   8.4330   24.467   8.6994  127.125   14.194   98.402   19.605 28.72284 24.20392 
1 1 1    3   18   40 o  126.075   15.450   41.561   8.0375   43.677   9.6868   36.884   14.400  134.430   15.418  117.719   26.779 16.71146 30.90035 
1 1 1    3   18   41 o  128.762   15.578   40.176   9.3745   40.176   9.3745   0.0000   0.0000  128.762   15.578  ?   ?       ?      ? 
1 1 1    3   18   42 o  105.686   25.227   29.545   12.288   0.0000   0.0000   29.545   12.288  ?   ?   105.686   25.227      ?      ? 
1 1 1    3   18   43 o   34.500   11.598  -7.1698   4.5156  -7.7248   5.3821  -5.8505   8.2988   28.544   13.731   40.457   18.696 -11.91225 23.19656 
1 1 1    3   18   44 o  230.456   14.994  132.189   16.150  132.711   22.854  131.668   22.824  230.931   21.175  229.982   21.235 0.9492035 29.98892 
1 1 1    3   18   45 o  144.907   12.159   51.663   8.1480   43.235   11.479   60.222   11.567  132.391   18.553  157.423   15.722 -25.03194 24.31888 
1 1 1    3   18   46 o  109.240   13.625   30.715   6.6015   42.120   9.4857   20.003   9.1931  131.452   15.441   87.028   22.454 44.42365 27.25014 
1 1 1    3   18   47 o   73.025   14.804   13.756   5.4542   17.466   7.6204   9.8596   7.8099   82.134   20.032   63.916   21.802 18.21845 29.60727 
1 1 1    3   18   48 o  203.306   16.900  106.001   15.208  103.126   18.689  111.637   26.167  202.513   19.746  204.100   27.432 -1.587128 33.80023 
1 1 1    3   18   49 o  114.572   15.892   34.147   7.8190   33.594   9.4990   35.310   13.770  116.198   17.492  112.946   26.537 3.251755 31.78308 
1 1 1    3   18   50 o  167.094   19.094   75.878   14.909   74.582   20.895   77.222   21.280  165.652   26.989  168.535   27.017 -2.882568 38.18797 
1 1 1    3   18   51 o   77.808   25.697   16.460   10.858   16.460   10.858   0.0000   0.0000   77.808   25.697  ?   ?       ?      ? 
1 1 1    3   18   52 o  154.812   13.071   60.928   9.4565   60.150   13.373   61.707   13.374  153.737   18.613  155.888   18.356 -2.151260 26.14223 
1 1 1    3   18   53 o  113.876   13.166   33.580   6.8231   31.241   9.8054   35.776   9.5006  108.627   20.053  119.126   17.065 -10.49854 26.33143 
1 1 1    3   18   54 o  112.626   17.516   40.466   9.2446   20.563   15.432   51.607   11.545   83.043   30.421  142.210   17.372 -59.16705 35.03132 
1 1 1    3   18   55 o   61.713   17.282   6.4129   8.3606   15.926   11.095  -6.0858   12.718   74.408   25.958   49.019   22.821 25.38945 34.56332 
1 1 1    3   18   56 o   74.177   21.639   15.389   7.9652   15.389   7.9652   0.0000   0.0000   74.177   21.639  ?   ?       ?      ? 
1 1 1    3   18   57 o   52.654   15.583   4.7071   6.1565   5.4411   7.3913   3.0440   11.125   51.419   20.480   53.889   23.493 -2.470585 31.16676 
1 1 1    3   18   58 o   54.452   14.330   7.4605   4.7403   6.8876   5.9429   8.4626   7.8595   51.967   18.902   56.936   21.542 -4.969254 28.65920 
1 1 1    3   18   59 f   58.791   14.959   9.4035   5.2815   10.633   7.2146   7.9834   7.7528   61.482   20.955   56.101   21.355 5.380520 29.91839 
1 1 1    3   18   60 o   34.403   11.340  -3.2707   4.3450  -2.8035   5.5013  -4.0455   7.0841   32.798   15.180   36.008   16.852 -3.209953 22.68070 
1 1 1    3   18   61 o   93.300   14.740   26.901   6.5067   34.647   9.2294   19.246   9.1747  110.785   17.826   75.815   23.479 34.96962 29.47949 
1 1 1    3   18   62 f   55.695   15.388   9.1037   5.4384   8.8091   6.3686   9.8971   10.451   54.324   19.597   57.066   23.731 -2.741695 30.77653 
1 1 1    3   18   63 o   51.456   13.198   6.8986   5.3509   13.493   6.2798 -10.5778   10.223   65.813   19.218   37.098   18.096 28.71581 26.39657 
1 1 1    3   18   64 o   63.093   15.414   14.118   5.7295   18.182   8.1051   10.059   8.1003   71.557   22.053   54.629   21.541 16.92773 30.82757 
1 1 1    3   19    0 o  199.038   12.195   94.991   15.766   94.991   15.766   94.991   15.766  199.038   17.247  199.038   17.247 -0.000000 0.000000 
1 1 1    3   19    1 f  468.598   28.847  526.343   54.895  554.750  109.833  516.884   63.379  472.062   49.784  465.134   29.156 6.928558 57.69345 
1 1 1    3   19    2 o  372.605   24.533  338.146   36.637  327.845   73.290  341.578   42.301  365.737   42.878  379.472   23.852 -13.73462 49.06557 
1 1 1    3   19    3 o  480.318   26.896  520.064   53.809  651.939  107.696  476.191   62.118  514.505   44.788  446.131   29.793 68.37378 53.79239 
1 1 1    3   19    4 o  485.699   31.260  576.994   61.222  587.087  122.466  573.632   70.689  482.254   54.337  489.143   30.922 -6.889801 62.51980 
1 1 1    3   19    5 o  461.828   26.411  488.467   50.487  582.439  101.046  457.203   58.284  486.191   44.470  437.465   28.508 48.72650 52.82298 
1 1 1    3   19    6 o  175.764   13.131   72.536   10.787   0.0000   0.0000   72.536   10.787  ?   ?   175.764   13.131      ?      ? 
1 1 1    3   19    7 o  125.147   10.215   32.795   5.3792   46.448   10.816   28.309   6.2003  140.451   16.478  109.842   12.078 30.60941 20.43081 
1 1 1    3   19    8 o  343.142   24.318  285.598   36.593  280.317   63.417  288.233   44.804  338.781   40.054  347.503   27.588 -8.722504 48.63540 
1 1 1    3   19    9 o   76.696   9.8103   14.143   3.3718   15.246   5.0715   13.268   4.5139   79.373   14.193   74.020   13.548 5.352798 19.62060 
1 1 1    3   19   10 o  220.255   15.018  113.993   13.455  116.364   26.785  113.193   15.561  221.113   25.920  219.396   15.176 1.717575 30.03571 
1 1 1    3   19   11 o  368.076   20.537  301.571   31.505  375.218   62.992  277.003   36.382  394.324   34.181  341.828   22.774 52.49530 41.07323 
1 1 1    3   19   12 o  210.938   12.649  105.027   12.442   96.356   17.491  113.909   17.703  202.047   18.523  219.829   17.231 -17.78209 25.29834 
1 1 1    3   19   13 o  104.866   10.512   26.635   4.8975   20.108   6.9282   33.153   6.9240   90.918   16.928  118.814   12.469 -27.89605 21.02495 
1 1 1    3   19   14 o  456.411   39.230  596.271   69.818  690.685   85.534  407.776  120.857  532.082   34.397  380.739   70.518 151.3430 78.45934 
1 1 1    3   19   15 o  294.950   16.103  207.869   22.170  220.023   31.405  195.794   31.301  303.728   22.124  286.172   23.404 17.55594 32.20579 
1 1 1    3   19   16 o   88.337   10.570   18.821   4.2306   21.497   5.9708   16.123   5.9953   95.523   13.375   81.152   16.372 14.37083 21.14083 
1 1 1    3   19   17 o  184.615   14.519   80.506   11.838   79.030   14.483   83.478   20.548  182.661   16.966  186.568   23.567 -3.906250 29.03848 
1 1 1    3   19   18 o  100.107   13.326   25.963   5.6604   19.481   9.6203   29.395   7.0004   88.543   23.031  111.672   13.413 -23.12910 26.65190 
1 1 1    3   19   19 o  112.648   15.698   31.498   8.0437   38.256   11.174   24.231   11.588  126.842   18.850   98.453   25.107 28.38970 31.39555 
1 1 1    3   19   20 o  167.638   13.975   66.291   10.288   65.025   12.515   68.930   18.070  165.729   16.158  169.546   22.805 -3.816727 27.94932 
1 1 1    3   19   21 o  279.987   17.594  172.661   21.999  130.404   26.868  258.617   38.320  232.577   24.718  327.396   25.044 -94.81886 35.18821 
1 1 1    3   19   22 o   81.748   13.698   16.489   4.8476   16.580   5.8014   16.278   8.8245   82.374   15.641   81.122   22.493 1.252411 27.39654 
1 1 1    3   19   23 o  178.982   17.232   77.546   14.384   81.424   20.091   73.467   20.604  183.815   23.387  174.150   25.315 9.664948 34.46431 
1 1 1    3   19   24 o  429.060   54.059  507.898  108.400  507.898  108.400   0.0000   0.0000  429.060   54.059  ?   ?       ?      ? 
1 1 1    3   19   25 o  268.193   23.201  180.521   29.033  169.150   40.998  191.961   41.120  259.122   33.854  277.263   31.734 -18.14053 46.40182 
1 1 1    3   19   26 o  267.278   24.863  187.038   28.921  130.292   40.785  244.432   41.017  220.171   41.150  314.385   27.916 -94.21370 49.72524 
1 1 1    3   19   27 o  345.689   30.543  319.956   49.340  315.359   69.768  324.555   69.787  342.850   43.542  348.528   42.844 -5.678314 61.08619 
1 1 1    3   19   28 o  162.730   23.502   64.588   17.874   64.588   17.874   0.0000   0.0000  162.730   23.502  ?   ?       ?      ? 
1 1 1    3   19   29 o   63.173   13.922   9.7159   4.7310   5.5223   7.4337   12.571   6.1334   55.309   20.945   71.037   18.346 -15.72760 27.84361 
1 1 1    3   19   30 o  178.014   14.875   75.403   11.807   82.177   20.288   71.934   14.518  183.027   23.719  173.001   17.957 10.02599 29.74920 
1 1 1    3   19   31 o  139.212   16.088   46.378   10.467   0.0000   0.0000   46.378   10.467  ?   ?   139.212   16.088      ?      ? 
1 1 1    3   19   32 f  146.461   16.527   51.497   11.312   0.0000   0.0000   51.497   11.312  ?   ?   146.461   16.527      ?      ? 
1 1 1    3   19   33 o  132.962   17.125   48.026   10.231   78.587   14.500   17.732   14.436  180.459   17.193   85.465   29.621 94.99397 34.24947 
1 1 1    3   19   34 o  292.987   27.253  236.873   37.262  224.293   52.695  249.455   52.698  283.800   39.730  302.173   37.316 -18.37320 54.50610 
1 1 1    3   19   35 o  156.934   23.865   61.577   17.504   0.0000   0.0000   61.577   17.504  ?   ?   156.934   23.865      ?      ? 
1 1 1    3   19   36 o  256.096   19.693  166.366   22.175  164.956   27.177  169.176   38.357  258.156   22.525  254.036   32.308 4.119812 39.38517 
1 1 1    3   19   37 o  286.169   26.677  225.717   35.672  230.114   50.513  221.344   50.383  289.381   37.350  282.956   38.100 6.425354 53.35326 
1 1 1    3   19   38 o  250.697   19.306  162.191   21.203  162.374   36.707  162.099   25.975  246.461   31.868  254.933   21.802 -8.471237 38.61220 
1 1 1    3   19   39 o  155.089   11.790   58.712   8.5231   62.584   11.953   54.708   12.157  160.577   15.927  149.600   17.388 10.97751 23.57985 
1 1 1    3   19   40 o   72.772   12.951   13.477   4.4333   11.208   6.2488   15.777   6.2907   66.576   19.093   78.967   17.505 -12.39044 25.90299 
1 1 1    3   19   41 o  185.934   12.855   85.048   11.116   93.413   15.621   76.467   15.821  195.742   17.076  176.125   19.221 19.61658 25.71084 
1 1 1    3   19   42 o  201.416   13.615  100.348   12.736  111.932   17.932   88.558   18.090  213.879   17.940  188.953   20.486 24.92567 27.23069 
1 1 1    3   19   43 o  155.314   13.927   55.968   9.6271   48.310   11.661   72.361   17.061  140.475   17.762  170.154   21.455 -29.67938 27.85317 
1 1 1    3   19   44 o   69.790   14.626   8.6620   5.2752   2.6364   6.2783   23.129   9.7284   45.977   18.678   93.604   22.514 -47.62727 29.25280 
1 1 1    3   19   45 o  154.224   12.563   59.178   8.9253   68.901   12.484   49.012   12.766  168.112   15.889  140.337   19.464 27.77469 25.12571 
1 1 1    3   19   46 o  138.999   15.313   49.186   9.2796   50.695   15.540   48.350   11.568  138.113   24.996  139.885   17.695 -1.772217 30.62585 
1 1 1    3   19   47 o   73.897   16.047   14.808   6.1178   17.064   7.4563   10.162   10.702   80.747   19.889   67.046   25.188 13.70086 32.09359 
1 1 1    3   19   48 o   61.404   16.653   7.6264   6.7073   5.4370   9.0360   10.313   10.010   56.509   22.599   66.299   24.467 -9.789909 33.30692 
1 1 1    3   19   49 o   87.722   18.176   21.200   7.9960   17.513   11.024   25.292   11.615   80.106   25.860   95.339   25.550 -15.23290 36.35259 
1 1 1    3   19   50 o   76.384   14.835   11.712   7.1626  -5.2178   9.7663   31.416   10.536   44.291   20.402  108.477   21.542 -64.18642 29.67002 
1 1 1    3   19   51 o   43.973   13.816  -1.0483   5.5200  -0.6169   6.9306  -1.7968   9.1287   41.808   18.376   46.138   20.636 -4.329746 27.63181 
1 1 1    3   19   52 o   41.715   13.749  -4.5691   5.9417  -2.4514   6.8579 -10.9443   11.899   39.025   17.633   44.406   21.101 -5.381107 27.49862 
1 1 1    3   19   53 o   84.709   17.782   22.039   7.7211   14.838   13.920   25.240   9.2795   73.750   28.478   95.668   21.302 -21.91752 35.56326 
1 1 1    3   19   54 o   60.268   16.342   4.7781   7.5155   17.204   10.698  -7.3299   10.560   77.020   25.511   43.516   20.433 33.50461 32.68483 
1 1 1    3   19   55 o   58.754   17.158   6.3796   7.6417   8.4461   11.282   4.6281   10.387   61.984   25.088   55.525   23.412 6.458576 34.31516 
1 1 1    3   19   56 o   58.355   16.165   7.6414   6.3642   4.4933   8.1923   12.433   10.107   50.769   21.053   65.941   24.536 -15.17191 32.33010 
1 1 1    3   19   57 o   83.562   13.031   19.276   6.2127   1.6098   8.7399   37.321   8.8329   47.395   20.738  119.729   15.786 -72.33449 26.06222 
1 1 1    3   19   58 o   83.768   15.443   20.645   6.0702   22.899   9.2257   18.925   8.0609   87.338   22.472   80.199   21.189 7.139290 30.88660 
1 1 1    3   19   59 o   63.505   15.082   12.536   5.5849   7.7800   8.4664   16.200   7.4309   54.371   21.829   72.639   20.817 -18.26785 30.16408 
1 1 1    3   19   60 f   42.490   13.434  -0.8109   5.2224  -4.3764   6.4215   6.1541   8.9749   33.468   15.783   51.513   21.743 -18.04476 26.86753 
1 1 1    3   19   61 o   57.772   14.495   10.145   4.8548   8.6374   6.3390   12.283   7.5503   53.907   19.535   61.637   21.419 -7.730518 28.98917 
1 1 1    3   19   62 o   35.989   11.636  -1.4337   4.3330  -3.2110   5.7107   0.9776   6.6519   32.198   15.089   39.780   17.717 -7.581207 23.27125 
1 1 1    3   19   63 o   42.513   13.036   3.1959   4.8128   1.9228   6.8383   4.4455   6.7749   40.670   18.046   44.355   18.816 -3.685333 26.07111 
1 1 1    3   20    0 o  337.836   29.097  284.686   62.398  284.686   62.398  284.686   62.398  337.836   41.150  337.836   41.150 -0.000000 0.000000 
1 1 1    3   20    1 o  158.095   13.192   58.206   9.2145   61.530   16.069   56.578   11.248  161.155   21.335  155.035   15.523 6.120758 26.38487 
1 1 1    3   20    2 o  509.713   26.936  640.961   62.927  502.339   88.937  779.932   89.049  451.462   42.152  567.965   33.548 -116.5031 53.87257 
1 1 1    3   20    3 o   92.893   11.688   19.226   4.7955   15.683   5.8755   26.295   8.2996   80.174   16.238  105.613   16.815 -25.43909 23.37525 
1 1 1    3   20    4 o  425.925   23.047  438.868   45.794  468.222   64.761  409.511   64.764  440.672   31.445  411.177   33.703 29.49554 46.09412 
1 1 1    3   20    5 o  138.249   11.777   41.060   7.2618   62.369   12.652   30.593   8.8678  162.611   16.649  113.887   16.661 48.72363 23.55346 
1 1 1    3   20    6 o  101.066   14.109   24.039   6.6642   0.0000   0.0000   24.039   6.6642  ?   ?   101.066   14.109      ?      ? 
1 1 1    3   20    7 o  168.829   14.931   71.099   10.746   58.875   18.688   77.137   13.134  156.800   25.501  180.858   15.539 -24.05765 29.86289 
1 1 1    3   20    8 o  134.706   12.605   42.255   7.4955   45.078   13.118   40.886   9.1334  137.728   20.379  131.684   14.841 6.044067 25.21046 
1 1 1    3   20    9 o  518.724   40.721  673.906   98.719   0.0000   0.0000  673.906   98.719  ?   ?   518.724   40.721      ?      ? 
1 1 1    3   20   10 o  104.314   10.282   25.837   4.9788   27.788   6.8394   23.639   7.2618  108.599   13.476  100.029   15.534 8.569992 20.56432 
1 1 1    3   20   11 f  203.921   15.551   98.893   14.038  100.873   24.150   97.883   17.251  204.738   25.239  203.103   18.175 1.635864 31.10208 
1 1 1    3   20   12 o  336.514   18.837  273.590   29.624  275.862   41.881  271.316   41.909  337.963   26.516  335.065   26.763 2.898010 37.67422 
1 1 1    3   20   13 o  317.190   17.152  241.932   25.405  252.822   35.924  231.037   35.932  324.539   23.685  309.841   24.814 14.69745 34.30355 
1 1 1    3   20   14 o  240.989   21.011  142.010   23.546  126.479   33.327  157.490   33.272  227.214   31.385  254.765   27.945 -27.55124 42.02279 
1 1 1    3   20   15 o  274.261   20.742  188.309   24.593  198.135   30.131  168.702   42.563  287.618   22.416  260.904   34.907 26.71365 41.48470 
1 1 1    3   20   16 f  365.996   23.984  317.188   39.284  285.324   48.091  381.091   68.105  341.681   30.116  390.311   37.336 -48.62994 47.96850 
1 1 1    3   20   17 o  158.211   16.593   62.136   11.529   43.703   16.223   80.942   16.387  132.028   27.198  184.394   19.015 -52.36598 33.18589 
1 1 1    3   20   18 o  203.442   19.824  104.708   17.399   68.430   24.511  141.554   24.702  163.817   33.153  243.068   21.745 -79.25005 39.64825 
1 1 1    3   20   19 o  171.858   16.492   71.155   13.239   72.987   18.609   69.277   18.839  174.199   22.857  169.516   23.780 4.683121 32.98363 
1 1 1    3   20   20 o  154.998   17.613   60.327   12.087   75.231   16.891   44.684   17.304  177.251   20.390  132.744   28.726 44.50719 35.22681 
1 1 1    3   20   21 o  122.204   16.621   39.577   9.2521   61.207   12.875   16.481   13.304  160.331   17.183   84.076   28.457 76.25522 33.24212 
1 1 1    3   20   22 o  250.195   21.417  156.654   24.658  126.271   34.700  187.646   35.046  224.027   33.143  276.362   27.135 -52.33490 42.83366 
1 1 1    3   20   23 o  308.466   27.666  249.469   39.297  293.429   55.551  205.433   55.598  339.000   35.063  277.931   42.803 61.06918 55.33105 
1 1 1    3   20   24 o   77.564   14.000   14.201   5.4405   6.7275   7.3034   23.520   8.1550   57.615   20.955   97.512   18.573 -39.89717 28.00092 
1 1 1    3   20   25 o  116.617   13.047   32.186   6.5198   30.516   7.8941   35.770   11.564  113.287   14.910  119.948   21.414 -6.661613 26.09368 
1 1 1    3   20   26 o   93.756   16.292   22.323   7.1602   26.795   10.080   17.770   10.172  103.361   21.565   84.152   24.426 19.20893 32.58385 
1 1 1    3   20   27 o  177.147   16.759   81.854   12.213   66.361   21.078   89.685   14.985  160.687   29.141  193.607   16.562 -32.92038 33.51840 
1 1 1    3   20   28 o   67.067   14.056   9.1502   4.7688   17.770   8.2245   4.7844   5.8531   83.934   21.014   50.200   18.673 33.73323 28.11202 
1 1 1    3   20   29 o  131.358   13.104   39.137   7.7585   51.899   13.306   32.563   9.5499  146.386   19.449  116.330   17.566 30.05582 26.20736 
1 1 1    3   20   30 o  130.489   16.486   42.738   9.7956   37.802   13.791   47.764   13.916  121.299   25.153  139.678   21.318 -18.37827 32.97131 
1 1 1    3   20   31 o  168.415   14.562   68.175   10.895   73.893   18.834   65.299   13.357  172.497   23.362  164.333   17.391 8.164215 29.12462 
1 1 1    3   20   32 o  193.069   20.103   97.778   17.146   72.811   24.152  123.149   24.346  164.004   32.658  222.133   23.451 -58.12897 40.20557 
1 1 1    3   20   33 o   66.703   14.793   10.826   4.9376   10.849   6.0137   10.779   8.6496   65.848   18.679   67.557   22.945 -1.708809 29.58620 
1 1 1    3   20   34 o  264.438   20.534  180.464   23.714  182.718   29.067  175.977   41.008  271.408   22.916  257.468   34.080 13.93985 41.06833 
1 1 1    3   20   35 o  147.459   16.115   52.500   11.105   52.500   11.105   0.0000   0.0000  147.459   16.115  ?   ?       ?      ? 
1 1 1    3   20   36 o   80.129   16.771   16.517   6.7194   15.381   9.2218   17.803   9.8108   77.462   23.456   82.796   23.976 -5.334007 33.54156 
1 1 1    3   20   37 o  138.570   12.423   48.332   7.4644   32.235   10.424   65.274   10.694  112.411   20.600  164.728   13.891 -52.31684 24.84623 
1 1 1    3   20   38 o  205.552   13.517  104.304   12.925   92.974   18.224  115.773   18.335  193.719   20.129  217.385   18.047 -23.66531 27.03490 
1 1 1    3   20   39 o  102.353   14.437   25.291   6.4387   32.770   10.996   21.389   7.9428  113.012   21.607   91.694   19.153 21.31831 28.87335 
1 1 1    3   20   40 o  126.694   14.730   41.198   7.9786   37.863   13.465   43.002   9.9047  120.191   24.795  133.197   15.911 -13.00646 29.46082 
1 1 1    3   20   41 o  128.758   17.801   43.463   10.308   43.465   14.116   43.462   15.088  129.236   24.262  128.281   26.056 0.9555054 35.60224 
1 1 1    3   20   42 o  121.235   15.269   37.678   7.7063   37.689   9.2241   37.653   14.023  124.263   15.883  118.206   26.082 6.057449 30.53801 
1 1 1    3   20   43 o  122.684   12.205   37.556   6.6583   28.179   9.2184   47.784   9.6275  104.988   19.506  140.380   14.675 -35.39243 24.40944 
1 1 1    3   20   44 o   77.686   15.211   16.396   6.0617   8.6901   9.5811   21.540   7.8274   63.648   23.848   91.723   18.889 -28.07528 30.42233 
1 1 1    3   20   45 o  105.557   18.006   30.060   8.7581   26.665   11.753   34.298   13.133   98.876   25.323  112.238   25.603 -13.36116 36.01113 
1 1 1    3   20   46 o   62.016   14.723   9.6920   5.5458   13.890   6.6393   0.0025   10.087   72.948   19.209   51.085   22.317 21.86303 29.44592 
1 1 1    3   20   47 o  174.087   26.940   82.367   21.918   82.367   21.918   0.0000   0.0000  174.087   26.940  ?   ?       ?      ? 
1 1 1    3   20   48 o   43.625   13.020   0.2728   4.9379  -8.5151   8.4763   4.7871   6.0752   37.851   17.934   49.399   18.879 -11.54819 26.03986 
1 1 1    3   20   49 o   60.883   15.506   8.8744   5.8644   3.9081   9.4594   11.975   7.4739   54.379   22.593   67.387   21.244 -13.00773 31.01194 
1 1 1    3   20   50 o   46.982   12.821   0.6324   4.6049  -6.4117   6.1248   9.7913   6.9840   32.170   15.243   61.794   20.619 -29.62389 25.64186 
1 1 1    3   20   51 o  100.116   14.833   27.156   6.7141   26.797   9.3080   27.544   9.6941   99.605   20.672  100.628   21.278 -1.022797 29.66673 
1 1 1    3   20   52 o   54.477   15.754   4.9868   6.5768  -1.2430   11.009   8.4437   8.2010   49.989   22.487   58.964   22.069 -8.975498 31.50765 
1 1 1    3   20   53 o   57.831   24.615   4.6403   11.663   4.6403   11.663   0.0000   0.0000   57.831   24.615  ?   ?       ?      ? 
1 1 1    3   20   54 o   61.871   25.210   8.5677   11.481   8.5677   11.481   0.0000   0.0000   61.871   25.210  ?   ?       ?      ? 
1 1 1    3   20   55 o   54.015   15.722   6.0180   6.4407   8.3405   7.8461   1.2196   11.278   56.752   21.511   51.277   22.936 5.475342 31.44495 
1 1 1    3   20   56 o   41.444   13.289  -2.1218   5.6012  -4.4435   7.7915   0.3614   8.0579   38.373   17.864   44.516   19.679 -6.142647 26.57790 
1 1 1    3   20   57 o   46.944   13.958   3.5388   5.1645   4.5606   7.7873   2.7365   6.9003   49.180   20.471   44.708   18.979 4.472057 27.91528 
1 1 1    3   20   58 o   54.463   14.919   8.2290   5.4484   6.8536   8.1260   9.3524   7.3437   52.343   21.255   56.583   20.942 -4.240490 29.83825 
1 1 1    3   20   59 o   77.176   16.049   19.710   6.1583   20.579   9.1085   18.979   8.3582   78.168   23.232   76.183   22.150 1.984436 32.09846 
1 1 1    3   20   60 o   58.514   14.822   10.051   5.3618   15.843   8.0408   5.4138   7.1950   69.058   22.063   47.971   19.798 21.08763 29.64385 
1 1 1    3   20   61 o   38.107   12.699  -2.3726   5.3123  -3.5933   10.195  -1.9176   6.2240   41.310   19.601   34.905   16.152 6.404846 25.39832 
1 1 1    3   21    0 o  194.503   12.611   91.266   15.898   91.266   15.898   91.266   15.898  194.503   17.834  194.503   17.834 -0.000000 0.000000 
1 1 1    3   21    1 o  180.565   13.182   72.182   10.685   59.333   13.073   98.049   18.548  158.155   17.686  202.974   19.553 -44.81895 26.36497 
1 1 1    3   21    2 o  119.011   8.8537   32.195   4.8372   41.550   7.6809   26.046   6.2272  132.855   12.371  105.168   12.670 27.68710 17.70748 
1 1 1    3   21    3 o  353.642   17.546  297.313   28.545  321.413   45.167  281.285   36.834  364.708   26.499  342.576   23.006 22.13245 35.09255 
1 1 1    3   21    4 o  434.192   29.736  468.272   57.270  512.036   99.231  446.413   70.129  444.034   47.818  424.350   35.361 19.68326 59.47238 
1 1 1    3   21    5 o  243.866   12.671  138.647   14.238  155.909   22.519  127.149   18.378  256.094   18.815  231.638   16.976 24.45653 25.34151 
1 1 1    3   21    6 o  154.595   12.099   55.326   7.6027   59.376   15.333   54.005   8.7547  157.736   20.799  151.455   12.368 6.280670 24.19881 
1 1 1    3   21    7 o  329.108   28.136  276.736   41.987  348.884   59.426  204.817   59.331  375.922   33.825  282.294   44.972 93.62750 56.27226 
1 1 1    3   21    8 o  564.397   56.504  1043.91  121.450  719.174  210.287  1206.44  148.770  446.210  102.937  682.584   46.635 -236.3741 113.0079 
1 1 1    3   21    9 o  237.909   20.584  137.955   22.867  144.101   32.310  131.787   32.368  243.456   28.397  232.363   29.807 11.09363 41.16849 
1 1 1    3   21   10 o  140.000   12.061   43.793   7.5686   56.229   13.177   37.670   9.2459  153.816   18.331  126.183   15.679 27.63346 24.12114 
1 1 1    3   21   11 o  393.455   26.141  373.501   45.926  434.851   79.574  342.858   56.238  413.722   41.155  373.188   32.245 40.53464 52.28229 
1 1 1    3   21   12 o  292.344   23.959  205.742   32.735   0.0000   0.0000  205.742   32.735  ?   ?   292.344   23.959      ?      ? 
1 1 1    3   21   13 o  439.030   28.481  468.844   55.955  564.880   96.965  420.897   68.514  467.510   44.380  410.551   35.708 56.95953 56.96171 
1 1 1    3   21   14 o  234.204   14.685  118.876   14.452  160.753   28.913  104.928   16.686  258.187   23.962  210.221   16.984 47.96547 29.37062 
1 1 1    3   21   15 o  131.625   14.893   41.006   9.1614   0.0000   0.0000   41.006   9.1614  ?   ?   131.625   14.893      ?      ? 
1 1 1    3   21   16 o  144.971   12.659   49.441   8.1881   52.193   13.972   48.002   10.105  147.615   20.253  142.326   15.192 5.289429 25.31773 
1 1 1    3   21   17 o  204.104   15.843  101.198   14.180   98.442   24.518  102.583   17.381  200.842   26.121  207.365   17.935 -6.522705 31.68527 
1 1 1    3   21   18 f  344.959   42.292  312.817   68.182  312.817   68.182   0.0000   0.0000  344.959   42.292  ?   ?       ?      ? 
1 1 1    3   21   19 o  236.572   19.456  146.939   19.356  114.348   33.440  163.361   23.737  212.404   33.686  260.740   19.480 -48.33537 38.91300 
1 1 1    3   21   20 o   99.231   10.125   23.371   4.6950   23.978   6.6882   22.781   6.5923  100.510   14.238   97.952   14.401 2.557762 20.25100 
1 1 1    3   21   21 o  145.440   15.157   51.210   10.301   52.268   14.593   50.159   14.542  146.982   21.245  143.898   21.624 3.084793 30.31394 
1 1 1    3   21   22 f  131.135   14.839   45.029   7.8960   49.555   9.5699   35.375   13.975  144.473   14.174  117.798   26.074 26.67537 29.67759 
1 1 1    3   21   23 o  127.497   16.432   40.799   9.4440   50.511   13.384   31.169   13.328  144.682   19.794  110.311   26.235 34.37024 32.86427 
1 1 1    3   21   24 o  181.448   24.902   81.120   21.117   81.120   21.117   0.0000   0.0000  181.448   24.902  ?   ?       ?      ? 
1 1 1    3   21   25 o  166.854   13.979   65.190   10.375   74.563   18.101   60.605   12.661  174.756   22.163  158.952   17.043 15.80426 27.95860 
1 1 1    3   21   26 o  299.663   20.703  215.671   27.827  269.408   48.195  188.797   34.082  324.193   31.809  275.133   26.506 49.05997 41.40507 
1 1 1    3   21   27 o  289.816   21.479  217.618   27.054  205.841   46.786  223.533   33.159  278.850   35.901  300.783   23.589 -21.93307 42.95706 
1 1 1    3   21   28 o  114.202   16.211   34.702   8.8216   12.331   12.495   56.933   12.456   74.887   27.383  153.517   17.361 -78.62938 32.42257 
1 1 1    3   21   29 o  243.385   22.760  156.110   25.765  140.796   36.500  171.321   36.376  229.915   33.969  256.854   30.303 -26.93872 45.52073 
1 1 1    3   21   30 o  258.994   33.870  179.001   40.996  179.001   40.996   0.0000   0.0000  258.994   33.870  ?   ?       ?      ? 
1 1 1    3   21   31 o  338.350   25.109  299.620   37.646  283.711   46.088  331.515   65.257  331.693   29.731  345.007   40.472 -13.31421 50.21873 
1 1 1    3   21   32 o  218.781   20.462  123.206   20.870  113.688   29.430  132.833   29.599  209.481   30.061  228.080   27.768 -18.59891 40.92333 
1 1 1    3   21   33 o  153.351   11.529   57.079   8.2070   64.857   11.657   49.435   11.556  164.086   15.201  142.615   17.339 21.47083 23.05869 
1 1 1    3   21   34 o  300.578   18.691  233.074   26.198  248.857   37.001  217.208   37.098  311.883   25.385  289.273   27.441 22.60992 37.38184 
1 1 1    3   21   35 o   80.166   12.409   16.696   4.9226   26.606   6.8637   6.1995   7.0637  105.153   13.967   55.180   20.516 49.97272 24.81864 
1 1 1    3   21   36 o  245.318   25.976  170.442   28.400  203.292   40.037  137.174   40.291  275.912   31.049  214.725   41.653 61.18727 51.95208 
1 1 1    3   21   37 o   75.171   13.705   14.518   4.8533   15.631   6.6185   13.224   7.1379   78.375   18.387   71.967   20.327 6.407539 27.40918 
1 1 1    3   21   38 o  269.802   22.060  197.569   25.682  182.633   44.339  205.109   31.505  254.824   37.231  284.781   23.672 -29.95717 44.11925 
1 1 1    3   21   39 o   52.634   12.720   5.8286   4.0348   9.6582   5.6128   1.7334   5.8041   62.097   18.179   43.172   17.796 18.92518 25.43913 
1 1 1    3   21   40 o   38.993   12.285  -2.8549   4.4513   1.1650   7.2176  -5.3223   5.6547   45.994   19.461   31.993   15.000 14.00162 24.57067 
1 1 1    3   21   41 o  266.976   20.583  183.785   24.589  165.655   30.156  219.744   42.472  252.071   25.598  281.881   32.240 -29.80998 41.16638 
1 1 1    3   21   42 o   61.532   14.226   9.1130   5.3034   0.3936   8.7558   14.166   6.6652   48.897   21.079   74.167   19.110 -25.27061 28.45255 
1 1 1    3   21   43 o   97.408   15.419   24.575   6.6382   26.709   11.067   23.376   8.2963   99.653   24.040   95.162   19.314 4.490791 30.83749 
1 1 1    3   21   44 o   49.611   14.591   1.5821   5.1000  -0.3101   6.0045   6.4821   9.6628   39.820   17.311   59.403   23.493 -19.58259 29.18209 
1 1 1    3   21   45 o   63.839   15.341   10.480   5.5873   12.990   6.6369   4.3721   10.352   70.459   19.496   57.219   23.692 13.23993 30.68239 
1 1 1    3   21   46 o   46.112   20.662  -2.2096   9.1955   0.0000   0.0000  -2.2096   9.1955  ?   ?    46.112   20.662      ?      ? 
1 1 1    3   21   47 o  118.288   18.388   39.291   9.8835   40.382   13.712   38.111   14.259  120.705   25.124  115.871   26.855 4.834267 36.77558 
1 1 1    3   21   48 o  132.367   18.490   49.177   11.165   36.030   15.513   63.302   16.080  109.961   29.553  154.774   22.231 -44.81329 36.98088 
1 1 1    3   21   49 o   51.116   14.111   4.9633   4.9184   6.4045   6.7512   3.3331   7.1800   53.698   20.038   48.535   19.874 5.162777 28.22293 
1 1 1    3   21   50 o   91.549   14.721   25.480   6.8471   9.0957   10.808   36.465   8.8497   62.977   24.865  120.121   15.764 -57.14363 29.44141 
1 1 1    3   21   51 o   54.084   22.741   4.0941   9.7564   0.0000   0.0000   4.0941   9.7564  ?   ?    54.084   22.741      ?      ? 
1 1 1    3   21   52 o   89.548   18.151   24.790   8.4392   31.113   11.099   16.125   12.993  104.426   23.330   74.670   27.812 29.75660 36.30169 
1 1 1    3   21   53 o   97.613   18.252   28.628   8.6866   19.496   11.461   40.957   13.317   78.768   26.413  116.459   25.199 -37.69156 36.50489 
1 1 1    3   21   54 o   46.483   18.918   3.9383   6.4558   3.9383   6.4558   0.0000   0.0000   46.483   18.918  ?   ?       ?      ? 
1 1 1    3   21   55 o   77.282   14.403   13.702   6.2262   33.554   10.182   1.8451   7.8688  108.576   20.823   45.988   19.904 62.58786 28.80579 
1 1 1    3   21   56 o   42.214   13.387  -0.7385   5.4138  -3.6683   7.0335   3.5206   8.4804   36.294   16.922   48.134   20.748 -11.84058 26.77356 
1 1 1    3   21   57 o   62.254   14.914   11.980   5.2576   9.3784   7.4194   14.604   7.4515   56.374   21.013   68.134   21.170 -11.76046 29.82769 
1 1 1    3   21   58 o   48.991   14.299   5.7673   5.3029   5.4327   7.8688   6.0456   7.1777   48.836   20.473   49.145   19.969 -0.3092880 28.59857 
1 1 1    3   21   59 o   81.429   15.200   21.906   6.0032   17.535   8.8368   25.652   8.1807   71.198   23.167   91.659   19.685 -20.46080 30.40045 
1 1 1    3   21   60 o   52.937   14.631   8.1803   5.4206   13.478   8.0907   3.8652   7.3017   61.549   22.101   44.325   19.179 17.22435 29.26233 
1 1 1    3   22    0 o   94.478   11.050   22.612   6.3323   22.612   6.3323   22.612   6.3323   94.478   15.627   94.478   15.627 -0.000000 0.000000 
1 1 1    3   22    1 o  220.148   15.322  112.472   15.028  128.185   26.126  104.702   18.371  230.594   24.243  209.702   18.745 20.89194 30.64454 
1 1 1    3   22    2 f  263.873   18.130  171.260   19.089  162.801   38.199  174.076   22.038  257.020   31.802  270.727   17.418 -13.70691 36.25920 
1 1 1    3   22    3 o   80.921   10.532   12.810   3.4873   22.978   7.3321   9.8373   3.9643   98.487   15.930   63.354   13.781 35.13253 21.06371 
1 1 1    3   22    4 o  247.624   13.001  144.061   14.816  156.462   23.437  135.807   19.121  256.083   19.583  239.166   17.106 16.91727 26.00218 
1 1 1    3   22    5 o  229.232   12.057  122.239   12.734  139.806   20.178  110.613   16.415  242.476   17.806  215.989   16.262 26.48700 24.11430 
1 1 1    3   22    6 o  423.767   21.782  449.406   41.747  407.399   65.977  477.454   53.912  403.881   34.954  443.654   26.001 -39.77350 43.56439 
1 1 1    3   22    7 f  254.171   16.302  150.482   16.951  166.337   34.003  145.238   19.555  261.055   27.870  247.286   16.920 13.76889 32.60411 
1 1 1    3   22    8 o  194.243   18.711  108.256   12.773   67.015   25.382  122.243   14.782  161.054   34.742  227.432   13.907 -66.37807 37.42235 
1 1 1    3   22    9 o  188.717   14.121   87.038   10.676   81.569   21.209   88.895   12.356  183.476   24.735  193.958   13.631 -10.48221 28.24192 
1 1 1    3   22   10 o  322.732   28.302  298.622   35.271  194.421   60.986  350.994   43.236  264.869   51.119  380.596   24.307 -115.7277 56.60369 
1 1 1    3   22   11 o  231.680   16.139  128.348   15.138  132.361   30.311  127.014   17.473  232.177   27.934  231.182   16.172 0.9946747 32.27783 
1 1 1    3   22   12 o   67.659   10.787   11.353   3.2871   10.774   5.1556   11.750   4.2669   66.015   16.699   69.303   13.660 -3.287834 21.57393 
1 1 1    3   22   13 o  200.351   11.379   94.688   10.480  100.188   16.564   91.017   13.533  204.874   17.300  195.828   14.787 9.046356 22.75836 
1 1 1    3   22   14 o  167.183   15.930   72.521   10.910   79.713   13.354   58.086   18.919  183.031   15.612  151.335   27.772 31.69606 31.85952 
1 1 1    3   22   15 o   75.556   10.899   13.748   3.8244   7.3422   5.1655   21.519   5.6893   55.747   17.670   95.365   12.765 -39.61858 21.79898 
1 1 1    3   22   16 o  253.525   14.789  155.463   17.493  144.906   24.694  166.096   24.783  244.598   21.602  262.452   20.205 -17.85370 29.57867 
1 1 1    3   22   17 o  560.230   34.521  871.548   90.188  927.746  127.558  815.375  127.531  581.678   46.923  538.782   50.647 42.89545 69.04285 
1 1 1    3   22   18 o  286.241   19.122  194.795   24.469  177.046   29.956  230.384   42.419  269.200   23.810  303.283   29.927 -34.08276 38.24361 
1 1 1    3   22   19 o  161.161   13.296   60.738   9.5235   57.097   11.631   68.145   16.590  154.655   16.092  167.667   21.172 -13.01221 26.59290 
1 1 1    3   22   20 o   97.143   13.582   23.391   6.4132   43.330   9.4451   6.3342   8.7356  134.859   14.986   59.427   22.656 75.43191 27.16408 
1 1 1    3   22   21 o  474.460   53.902  802.085  119.511  809.985  169.015  794.185  169.014  478.022   75.654  470.898   76.799 7.124176 107.8035 
1 1 1    3   22   22 o  372.925   28.274  375.138   45.820  365.130   79.385  380.138   56.110  359.574   47.240  386.275   31.081 -26.70081 56.54773 
1 1 1    3   22   23 o  243.996   21.704  165.018   21.129  120.182   36.425  187.755   25.938  209.921   38.548  278.072   19.959 -68.15068 43.40882 
1 1 1    3   22   24 o  145.962   12.980   48.464   8.5289   63.792   14.686   40.664   10.477  162.037   19.393  129.887   17.259 32.14969 25.96060 
1 1 1    3   22   25 o  387.634   31.642  432.366   52.925  418.104   91.676  439.496   64.816  367.605   53.362  407.664   34.020 -40.05844 63.28419 
1 1 1    3   22   26 o  140.985   16.732   50.546   10.554   63.702   15.184   38.250   14.679  161.174   20.158  120.796   26.711 40.37815 33.46367 
1 1 1    3   22   27 o  274.533   28.488  215.439   33.728  283.947   47.738  147.152   47.661  329.522   30.998  219.544   47.806 109.9787 56.97631 
1 1 1    3   22   28 o  206.420   17.289  108.690   15.451  112.998   18.919  100.060   26.776  215.470   18.788  197.370   29.028 18.09993 34.57744 
1 1 1    3   22   29 o  167.589   16.230   72.666   11.316   77.035   13.837   63.841   19.664  178.693   16.569  156.484   27.912 22.20862 32.45946 
1 1 1    3   22   30 o  105.957   13.840   25.927   6.5257   41.278   10.787   17.066   8.1954  130.300   17.714   81.614   21.270 48.68599 27.68060 
1 1 1    3   22   31 o  231.701   18.053  135.612   18.422  132.825   22.543  141.216   31.966  231.414   20.844  231.989   29.483 -0.5751038 36.10691 
1 1 1    3   22   32 o  214.747   13.876  114.087   13.915  108.811   19.638  119.406   19.720  209.495   20.058  219.999   19.180 -10.50433 27.75194 
1 1 1    3   22   33 o  137.102   11.742   46.101   7.4523   51.801   10.374   40.025   10.712  146.381   15.165  127.823   17.932 18.55825 23.48441 
1 1 1    3   22   34 o  299.171   18.070  229.378   25.248  220.115   35.654  238.695   35.758  292.569   26.076  305.774   25.022 -13.20480 36.13958 
1 1 1    3   22   35 o  170.505   14.861   70.724   11.360   78.453   19.331   66.647   14.040  176.151   23.481  164.860   18.222 11.29086 29.72234 
1 1 1    3   22   36 o   64.749   14.005   10.472   4.6289   10.732   6.3225   10.171   6.7955   65.348   19.340   64.149   20.261 1.199356 28.00955 
1 1 1    3   22   37 o  234.192   21.984  156.824   20.605  119.237   35.503  175.917   25.303  202.219   38.979  266.164   20.341 -63.94516 43.96772 
1 1 1    3   22   38 o  187.706   19.216   93.138   16.781   82.804   23.413  104.054   24.062  175.930   28.476  199.482   25.810 -23.55212 38.43266 
1 1 1    3   22   39 o   94.888   13.000   22.962   5.6039   26.725   7.7488   18.837   8.1140  104.673   15.840   85.103   20.618 19.57040 26.00029 
1 1 1    3   22   40 o   42.007   12.895  -0.7681   4.4795   2.0149   7.6744  -2.2063   5.5169   48.551   20.275   35.463   15.939 13.08778 25.79028 
1 1 1    3   22   41 f  126.441   15.693   43.438   8.3127   35.686   14.229   47.454   10.242  113.719   27.149  139.164   15.748 -25.44441 31.38561 
1 1 1    3   22   42 o   83.597   15.863   16.654   5.9750   12.910   7.1296   25.488   10.952   70.323   20.460   96.870   24.248 -26.54694 31.72646 
1 1 1    3   22   43 f   45.021   14.199  -3.8466   6.3059  -9.7772   8.7120   2.6796   9.1391   37.617   17.926   52.425   22.025 -14.80756 28.39752 
1 1 1    3   22   44 o   60.484   16.432   7.2395   6.5385   4.5620   8.6717   10.767   9.9540   54.193   21.974   66.774   24.436 -12.58162 32.86312 
1 1 1    3   22   45 o  230.723   25.179  163.687   27.126  168.767   38.232  158.537   38.495  235.715   34.705  225.730   36.490 9.985886 50.35820 
1 1 1    3   22   46 o   48.726   15.035   0.1912   6.4623  -1.2798   8.8989   1.8325   9.3997   46.178   20.534   51.274   21.968 -5.096287 30.07006 
1 1 1    3   22   47 o   89.086   16.358   22.709   6.7102   24.471   8.1467   18.993   11.833   96.512   18.737   81.661   26.820 14.85094 32.71658 
1 1 1    3   22   48 o   61.186   15.489   7.5412   5.3379   4.1939   6.3608   15.511   9.8149   48.106   19.050   74.265   24.427 -26.15881 30.97722 
1 1 1    3   22   49 o   88.432   16.610   21.530   6.7445   26.360   11.417   18.941   8.3589   94.584   25.324   82.280   21.500 12.30391 33.21988 
1 1 1    3   22   50 o   85.099   25.840   21.483   11.180   21.483   11.180   0.0000   0.0000   85.099   25.840  ?   ?       ?      ? 
1 1 1    3   22   51 o   70.760   15.166   15.300   6.5340   21.959   7.8278  -0.0003   11.865   89.411   19.299   52.109   23.401 37.30157 30.33240 
1 1 1    3   22   52 o   89.122   20.606   22.858   8.4111   22.858   8.4111   0.0000   0.0000   89.122   20.606  ?   ?       ?      ? 
1 1 1    3   22   53 o   49.926   13.983   5.0109   4.9451   2.4666   7.0247   7.5103   6.9625   45.281   19.181   54.572   20.353 -9.291229 27.96700 
1 1 1    3   22   54 o   84.394   14.758   21.078   5.7969   22.687   8.2717   19.525   8.1263   88.005   20.494   80.783   21.242 7.221245 29.51630 
1 1 1    3   22   55 o   72.533   15.655   18.046   6.4772   22.988   8.0003   8.6430   11.035   87.822   19.947   57.244   24.134 30.57762 31.30984 
1 1 1    3   22   56 o   79.203   17.196   22.517   8.6167   5.6702   12.882   36.157   11.591   54.253   24.372  104.153   24.264 -49.90046 34.39120 
1 1 1    3   22   57 o  101.470   17.813   38.443   8.5780   31.361   15.494   41.574   10.301   83.336   30.489  119.604   18.428 -36.26812 35.62521 
1 1 1    3   22   58 o   46.697   13.716   5.1547   4.9294   5.2450   6.9536   5.0634   6.9890   46.832   19.407   46.562   19.389 0.2699585 27.43233 
1 1 1    3   22   59 o   41.901   12.678   2.9045   4.5967   5.9707   6.2283  -0.7639   6.8125   46.575   18.714   37.227   17.108 9.347641 25.35542 
1 1 1    3   23    0 f  192.869   12.783   90.186   15.966   90.186   15.966   90.186   15.966  192.869   18.078  192.869   18.078 -0.000000 0.000000 
1 1 1    3   23    1 o  222.335   13.455  118.632   13.965  125.249   19.771  112.044   19.728  228.682   18.499  215.988   19.544 12.69489 26.91043 
1 1 1    3   23    2 o   72.246   12.051   12.391   3.8554   15.007   6.5968   11.034   4.7513   77.666   18.448   66.827   15.512 10.83917 24.10288 
1 1 1    3   23    3 o  406.312   23.320  430.849   41.154  260.772   58.115  601.928   58.286  316.524   39.286  496.100   25.139 -179.5765 46.64070 
1 1 1    3   23    4 o  348.876   20.162  301.732   32.853  290.242   46.447  313.236   46.476  341.831   29.074  355.921   27.941 -14.08920 40.32330 
1 1 1    3   23    5 o  132.826   9.0978   41.143   5.5618   45.096   8.8076   38.522   7.1729  137.952   13.661  127.701   12.019 10.25139 18.19559 
1 1 1    3   23    6 o  425.563   32.452  489.174   60.387  494.566  104.559  486.475   73.970  416.362   53.734  434.765   36.405 -18.40350 64.90492 
1 1 1    3   23    7 f  173.878   10.607   73.328   8.3542   65.105   13.112   78.948   10.839  165.084   16.995  182.672   12.696 -17.58876 21.21403 
1 1 1    3   23    8 o  152.511   12.685   53.286   8.6501   64.118   15.047   47.939   10.571  163.190   19.729  141.833   15.948 21.35727 25.36931 
1 1 1    3   23    9 o  173.400   13.312   68.788   10.394   85.199   17.828   60.338   12.793  187.943   20.297  158.857   17.231 29.08612 26.62432 
1 1 1    3   23   10 o  370.090   24.360  331.876   40.425  416.680   70.098  289.620   49.481  400.841   37.419  339.339   31.201 61.50266 48.72028 
1 1 1    3   23   11 f  341.618   27.922  322.520   39.926  256.965   69.047  355.450   48.937  304.492   48.520  378.744   27.647 -74.25220 55.84427 
1 1 1    3   23   12 o  323.863   28.405  277.769   42.530  235.876   60.089  319.822   60.204  296.171   43.412  351.555   36.643 -55.38376 56.80963 
1 1 1    3   23   13 o  318.917   25.184  274.063   33.994  226.847   58.771  297.802   41.672  290.072   43.352  347.762   25.640 -57.69077 50.36712 
1 1 1    3   23   14 o   53.593   11.605   6.1725   3.4684   2.0124   4.7511   10.919   5.0749   40.865   16.372   66.321   16.452 -25.45575 23.21018 
1 1 1    3   23   15 o   57.963   10.735   7.9333   3.2675   13.475   4.6800   2.6627   4.5640   74.139   14.020   41.788   16.259 32.35166 21.46906 
1 1 1    3   23   16 o  346.027   33.683  341.217   50.577  242.907   71.462  439.884   71.592  283.135   55.989  408.918   37.461 -125.7831 67.36588 
1 1 1    3   23   17 o  252.742   22.496  163.460   26.452  180.054   37.439  146.917   37.380  266.751   30.031  238.733   33.503 28.01773 44.99260 
1 1 1    3   23   18 o   85.273   22.392   18.439   9.0383   18.439   9.0383   0.0000   0.0000   85.273   22.392  ?   ?       ?      ? 
1 1 1    3   23   19 o  325.622   29.868  292.228   45.132  258.095   63.812  326.392   63.840  303.195   45.034  348.049   39.247 -44.85422 59.73566 
1 1 1    3   23   20 o  180.606   15.505   81.931   12.084   74.771   21.072   85.440   14.751  172.770   26.097  188.443   16.750 -15.67311 31.00962 
1 1 1    3   23   21 o  150.846   16.709   57.411   11.411   49.835   16.195   64.879   16.081  139.107   25.863  162.585   21.163 -23.47760 33.41833 
1 1 1    3   23   22 o  121.830   22.535   37.742   12.358   37.742   12.358   0.0000   0.0000  121.830   22.535  ?   ?       ?      ? 
1 1 1    3   23   23 o  324.842   31.188  306.407   47.073  275.434   66.532  337.452   66.610  304.462   46.758  345.221   41.286 -40.75961 62.37666 
1 1 1    3   23   24 o  142.315   15.402   49.973   10.221   45.593   14.166   54.729   14.763  135.617   22.350  149.014   21.198 -13.39688 30.80424 
1 1 1    3   23   25 o  125.679   12.073   36.014   6.7937   31.176   8.2904   45.906   11.854  113.904   15.574  137.454   18.453 -23.55047 24.14624 
1 1 1    3   23   26 o   67.087   13.883   10.401   4.3557   8.8501   5.2174   13.968   7.9126   59.834   17.530   74.340   21.533 -14.50656 27.76616 
1 1 1    3   23   27 o  170.507   13.792   65.658   10.507   52.645   12.774   92.866   18.472  146.825   18.617  194.190   20.354 -47.36522 27.58357 
1 1 1    3   23   28 o  138.620   11.703   47.525   7.2795   63.082   10.388   32.515   10.204  162.167   13.707  115.072   18.974 47.09443 23.40671 
1 1 1    3   23   29 o   41.706   11.571   1.4694   3.6420   5.6064   4.9738  -3.3131   5.3477   50.023   17.384   33.390   15.275 16.63281 23.14174 
1 1 1    3   23   30 o  191.893   16.161   93.017   13.599   93.471   16.675   92.114   23.500  195.125   18.286  188.661   26.653 6.464294 32.32266 
1 1 1    3   23   31 o  156.036   11.765   59.386   8.5456   64.797   12.031   53.876   12.140  163.552   15.740  148.519   17.491 15.03371 23.53009 
1 1 1    3   23   32 o  142.609   12.161   50.037   8.0243   55.821   11.108   43.725   11.604  151.817   15.656  133.400   18.613 18.41727 24.32187 
1 1 1    3   23   33 o  142.165   11.614   49.079   7.7140   47.741   10.763   50.491   11.062  140.173   16.429  144.157   16.419 -3.983765 23.22720 
1 1 1    3   23   34 o   76.702   13.173   15.207   4.7438   18.620   6.5158   11.357   6.9201   86.189   16.780   67.216   20.312 18.97355 26.34598 
1 1 1    3   23   35 o  137.201   14.146   45.984   8.7216   50.065   14.704   43.769   10.833  140.770   22.350  133.633   17.346 7.137207 28.29163 
1 1 1    3   23   36 o  144.625   12.219   51.982   8.1520   60.307   11.430   43.363   11.630  157.226   15.556  132.025   18.848 25.20067 24.43840 
1 1 1    3   23   37 o  107.187   17.078   31.109   8.7556   42.343   12.067   18.621   12.723  130.297   19.817   84.078   27.819 46.21893 34.15581 
1 1 1    3   23   38 f   60.220   14.139   5.9545   5.2638   16.416   8.2440  -1.2456   6.8394   79.191   21.653   41.249   18.188 37.94156 28.27811 
1 1 1    3   23   39 o  132.062   25.203   46.917   14.988   46.917   14.988   0.0000   0.0000  132.062   25.203  ?   ?       ?      ? 
1 1 1    3   23   40 o  110.894   18.348   33.628   9.3170   30.852   12.589   36.990   13.855  105.900   25.697  115.888   26.196 -9.988075 36.69550 
1 1 1    3   23   41 o   59.638   15.631   6.6254   6.4682   13.427   8.5956  -2.2539   9.8213   71.519   22.808   47.756   21.379 23.76392 31.26111 
1 1 1    3   23   42 o   81.821   18.080   18.383   7.6423   18.127   10.233   18.706   11.491   81.344   24.727   82.298   26.385 -0.9539948 36.16030 
1 1 1    3   23   43 o  151.463   20.546   67.407   13.991   87.788   19.464   45.616   20.126  182.345   22.840  120.581   34.159 61.76466 41.09130 
1 1 1    3   23   44 o   69.608   17.847   12.340   7.5141   10.658   10.693   13.980   10.561   66.700   25.153   72.517   25.324 -5.816711 35.69316 
1 1 1    3   23   45 o   45.249   14.367  -2.4272   6.4037   0.4309   8.7954  -5.6515   9.3418   47.944   20.895   42.554   19.725 5.390812 28.73490 
1 1 1    3   23   46 o   50.624   15.191   1.4835   6.3569  -2.6199   8.5099   6.6639   9.5616   43.231   19.578   58.017   23.231 -14.78559 30.38115 
1 1 1    3   23   47 o   47.716   14.798  -0.1525   6.5037   3.8895   8.8886  -4.8097   9.5412   52.182   21.808   43.251   20.008 8.931129 29.59616 
1 1 1    3   23   48 o  166.880   18.330   72.363   14.295   0.0000   0.0000   72.363   14.295  ?   ?   166.880   18.330      ?      ? 
1 1 1    3   23   50 o   59.816   19.884   9.9360   6.4971   9.9360   6.4971   0.0000   0.0000   59.816   19.884  ?   ?       ?      ? 
1 1 1    3   23   51 o  113.557   18.618   34.859   9.8805   34.859   9.8805   0.0000   0.0000  113.557   18.618  ?   ?       ?      ? 
1 1 1    3   23   52 o   92.382   14.407   24.766   6.2800   32.576   8.8411   16.813   8.9220  110.561   17.110   74.202   23.183 36.35947 28.81321 
1 1 1    3   23   53 o  134.775   15.011   55.002   8.5956   33.340   12.080   77.218   12.234   99.448   25.778  170.102   15.389 -70.65411 30.02194 
1 1 1    3   23   54 o   40.835   12.200   0.1604   4.5150  -7.0424   6.5261   6.7731   6.2530   31.354   15.092   50.316   19.172 -18.96201 24.39947 
1 1 1    3   23   55 o   64.282   14.516   13.040   5.2208   8.0946   7.4339   17.854   7.3338   53.081   20.723   75.483   20.333 -22.40228 29.03258 
1 1 1    3   23   56 o   38.926   12.856  -2.9941   5.7954  -4.8549   8.1184  -1.0605   8.2757   36.950   17.520   40.901   18.818 -3.950912 25.71152 
1 1 1    3   23   57 o   38.878   11.367  -2.8590   4.3701   8.9136   6.0432 -15.7638   6.3272   53.245   19.103   24.511   12.325 28.73421 22.73374 
1 1 1    3   24    0 f  264.905   24.347  179.464   40.639  179.464   40.639  179.464   40.639  264.905   34.432  264.905   34.432 -0.000000 0.000000 
1 1 1    3   24    1 o  150.010   15.252   54.688   10.662   49.876   15.027   59.567   15.130  143.119   22.466  156.902   20.633 -13.78316 30.50308 
1 1 1    3   24    2 o  304.267   26.511  243.025   37.167  285.625   52.626  200.634   52.497  334.108   33.703  274.425   40.932 59.68298 53.02242 
1 1 1    3   24    3 o  121.063   15.052   36.350   8.1885   27.387   11.393   45.927   11.777  103.852   23.962  138.275   18.224 -34.42355 30.10450 
1 1 1    3   24    4 o  364.172   24.110  319.394   39.433  422.415   68.358  268.015   48.275  403.295   36.268  325.049   31.778 78.24564 48.22050 
1 1 1    3   24    5 o  119.418   13.292   36.712   6.6190   29.549   11.246   40.508   8.1873  108.174   22.956  130.662   13.408 -22.48764 26.58420 
1 1 1    3   24    6 o  110.921   13.953   35.139   6.3254   17.975   10.610   44.602   7.8786   84.582   25.059  137.261   12.282 -52.67973 27.90678 
1 1 1    3   24    7 o  109.415   12.802   29.752   6.0427   27.437   10.078   31.051   7.5507  104.554   21.346  114.275   14.138 -9.721092 25.60380 
1 1 1    3   24    8 o  359.276   24.062  311.666   38.832  415.417   67.290  259.861   47.549  399.175   36.070  319.376   31.856 79.79846 48.12331 
1 1 1    3   24    9 o  306.058   19.274  226.232   27.569   0.0000   0.0000  226.232   27.569  ?   ?   306.058   19.274      ?      ? 
1 1 1    3   24   10 o  289.739   18.548  202.342   25.116   0.0000   0.0000  202.342   25.116  ?   ?   289.739   18.548      ?      ? 
1 1 1    3   24   11 f  262.432   17.827  165.701   21.865   0.0000   0.0000  165.701   21.865  ?   ?   262.432   17.827      ?      ? 
1 1 1    3   24   12 o   28.239   9.0680  -2.4831   2.6887 -10.5252   5.3746   0.2013   3.1052   26.254   12.873   30.223   12.775 -3.968536 18.13593 
1 1 1    3   24   13 o   93.689   12.854   21.089   5.2033   24.414   8.9627   19.399   6.3904   98.638   20.124   88.741   15.997 9.896767 25.70771 
1 1 1    3   24   14 o  196.697   17.110  100.987   14.270   81.296   24.584  110.994   17.524  178.775   29.424  214.619   17.472 -35.84354 34.22006 
1 1 1    3   24   15 o  254.584   17.432  151.935   19.902  196.235   34.601  130.032   24.330  279.496   26.489  229.672   22.667 49.82390 34.86347 
1 1 1    3   24   16 o  209.910   15.305  103.326   14.367  126.159   25.013   92.085   17.551  225.334   23.751  194.486   19.309 30.84755 30.60989 
1 1 1    3   24   17 o   72.728   11.955   15.656   4.6237  -0.0010   8.3088   22.679   5.5650   47.786   20.568   97.669   12.192 -49.88343 23.90950 
1 1 1    3   24   18 o  236.461   30.725  145.794   33.954  145.794   33.954   0.0000   0.0000  236.461   30.725  ?   ?       ?      ? 
1 1 1    3   24   19 o  122.018   15.792   37.858   8.6710   48.859   12.444   27.477   12.089  141.521   18.815  102.515   25.369 39.00595 31.58498 
1 1 1    3   24   20 o  219.761   16.351  116.663   16.006  109.072   19.600  131.859   27.732  211.084   19.868  228.438   25.976 -17.35376 32.70296 
1 1 1    3   24   21 o   70.350   15.273   12.304   5.5041   12.037   7.9162   12.554   7.6583   69.804   21.841   70.896   21.355 -1.091492 30.54635 
1 1 1    3   24   22 o  252.974   21.701  157.884   25.656  157.884   25.656   0.0000   0.0000  252.974   21.701  ?   ?       ?      ? 
1 1 1    3   24   23 o  176.265   18.543   81.108   14.266   56.095   20.061  106.700   20.292  144.494   30.656  208.037   20.870 -63.54247 37.08580 
1 1 1    3   24   24 o  118.653   10.114   33.896   5.5812   30.015   7.8664   37.830   7.9200  111.617   15.080  125.689   13.483 -14.07201 20.22861 
1 1 1    3   24   25 o  151.510   11.097   55.568   7.8566   54.467   11.024   56.703   11.200  149.975   15.728  153.046   15.658 -3.070816 22.19392 
1 1 1    3   24   26 o  186.489   14.432   81.674   12.077   70.473   14.781  104.169   20.947  169.218   18.690  203.760   21.997 -34.54201 28.86458 
1 1 1    3   24   27 o   95.856   12.306   23.994   5.2040   33.779   7.2574   13.637   7.4661  118.715   13.081   72.997   20.849 45.71732 24.61296 
1 1 1    3   24   28 o   99.562   14.052   31.827   6.6884   45.766   8.2188   4.4944   11.509  138.304   12.715   60.820   25.063 77.48360 28.10424 
1 1 1    3   24   29 o   81.768   13.824   14.771   5.2935   27.944   9.0749   7.9779   6.5172  105.120   19.179   58.415   19.916 46.70590 27.64898 
1 1 1    3   24   30 f   66.833   13.315   11.285   4.3402   10.500   6.0490   12.117   6.2309   64.604   18.860   69.061   18.800 -4.456787 26.63017 
1 1 1    3   24   31 o  148.672   11.569   53.860   7.9920   47.673   11.346   59.953   11.260  139.814   17.364  157.531   15.294 -17.71738 23.13853 
1 1 1    3   24   32 o  108.637   11.555   28.728   5.8665   28.765   8.3194   28.691   8.2737  108.697   16.377  108.578   16.305 0.1196060 23.10958 
1 1 1    3   24   33 o  262.742   16.523  177.316   20.249  188.577   28.593  165.987   28.679  271.979   22.495  253.505   24.207 18.47372 33.04519 
1 1 1    3   24   34 o  151.821   16.597   62.506   10.480   50.772   17.700   68.840   13.004  136.016   28.744  167.626   16.600 -31.60956 33.19317 
1 1 1    3   24   35 o   55.816   15.324   5.5188   5.7639   3.7042   8.0720   7.4066   8.2332   52.292   21.201   59.339   22.132 -7.047649 30.64827 
1 1 1    3   24   36 o  142.546   14.485   49.609   9.3172   57.802   15.748   45.196   11.557  150.262   22.425  134.831   18.341 15.43105 28.96991 
1 1 1    3   24   37 o  258.259   17.168  175.387   20.538  198.579   28.965  151.938   29.125  277.665   22.321  238.853   26.091 38.81149 34.33614 
1 1 1    3   24   38 o  160.285   15.127   63.667   10.695   59.194   12.962   73.207   18.930  153.862   18.026  166.708   24.297 -12.84695 30.25325 
1 1 1    3   24   39 o  112.296   16.716   37.163   8.0291   42.767   9.6727   24.744   14.398  131.678   15.718   92.915   29.507 38.76319 33.43202 
1 1 1    3   24   40 o  168.962   26.357   77.713   20.812   77.713   20.812   0.0000   0.0000  168.962   26.357  ?   ?       ?      ? 
1 1 1    3   24   41 o   92.570   17.700   24.693   8.2959   32.545   11.157   14.982   12.407  109.770   22.503   75.370   27.327 34.40021 35.40018 
1 1 1    3   24   42 o   72.242   16.096   14.587   6.1700   9.1632   11.026   17.060   7.4447   64.599   25.233   79.884   19.989 -15.28519 32.19153 
1 1 1    3   24   43 f  105.810   17.379   28.337   8.5942   0.0000   0.0000   28.337   8.5942  ?   ?   105.810   17.379      ?      ? 
1 1 1    3   24   44 o  131.889   17.908   54.378   9.7975   35.538   17.119   63.556   11.948  105.090   31.989  158.687   16.110 -53.59711 35.81676 
1 1 1    3   24   45 o   52.042   15.600   1.9775   7.0318   7.8807   9.1893  -6.3631   10.923   59.016   23.040   45.068   21.038 13.94781 31.20019 
1 1 1    3   24   46 o  154.463   28.085   71.073   19.527   0.0000   0.0000   71.073   19.527  ?   ?   154.463   28.085      ?      ? 
1 1 1    3   24   47 o  146.781   29.093   66.721   19.252   66.721   19.252   0.0000   0.0000  146.781   29.093  ?   ?       ?      ? 
1 1 1    3   24   48 o  164.249   17.695   78.802   12.282   75.755   14.912   85.230   21.655  166.995   19.106  161.503   29.788 5.492203 35.38929 
1 1 1    3   24   49 o   64.326   17.195   11.062   7.2149   6.4777   9.6947   16.753   10.802   55.540   22.957   73.113   25.606 -17.57300 34.39021 
1 1 1    3   24   50 o   49.316   14.648   3.3491   5.4491   1.6271   6.7040   6.7018   9.3543   43.110   18.513   55.523   22.705 -12.41304 29.29570 
1 1 1    3   24   51 o   48.000   13.520   4.1051   5.2824   9.4604   6.4044  -7.2914   9.3427   57.274   19.736   38.726   18.484 18.54798 27.04041 
1 1 1    3   24   52 o   81.461   20.740   20.381   7.9166   20.381   7.9166   0.0000   0.0000   81.461   20.740  ?   ?       ?      ? 
1 1 1    3   24   53 o   76.200   18.723   22.159   8.2048   20.695   12.166   23.380   11.112   72.946   26.963   79.453   25.985 -6.506653 37.44604 
1 1 1    3   24   54 o   65.711   21.728   14.206   7.7618   0.0000   0.0000   14.206   7.7618  ?   ?    65.711   21.728      ?      ? 
1 1 1    3   24   55 o   45.814   12.977   3.4926   4.7995   10.486   6.7340  -3.7273   6.8422   57.057   20.198   34.571   16.299 22.48627 25.95385 
1 1 1    3   25    0 o  195.735   13.033   93.368   16.516   93.368   16.516   93.368   16.516  195.735   18.431  195.735   18.431 -0.000000 0.000000 
1 1 1    3   25    1 o   85.033   10.344   17.480   4.0123   15.682   5.5450   19.457   5.8131   79.683   15.448   90.383   13.762 -10.69936 20.68860 
1 1 1    3   25    2 o  177.794   13.858   73.992   10.919   68.470   13.261   85.615   19.239  168.755   16.814  186.832   22.034 -18.07732 27.71639 
1 1 1    3   25    3 o  283.978   16.687  200.115   21.960  228.594   31.077  171.710   31.037  305.398   21.774  262.558   25.293 42.84003 33.37429 
1 1 1    3   25    4 o  119.533   9.9306   34.304   5.4967   39.193   7.7278   29.299   7.8201  128.403   12.878  110.663   15.121 17.73972 19.86119 
1 1 1    3   25    5 o   56.973   11.365   8.0000   3.1563   7.7220   4.3946   8.2963   4.5363   56.017   15.994   57.929   16.150 -1.911495 22.72950 
1 1 1    3   25    6 o  263.946   15.465  171.201   19.067  165.036   26.946  177.382   26.984  258.952   22.266  268.941   21.468 -9.989380 30.92988 
1 1 1    3   25    7 o  324.546   31.848  302.560   46.022  242.234   65.039  363.058   65.132  282.855   51.080  366.236   38.053 -83.38065 63.69627 
1 1 1    3   25    8 o  253.569   15.393  158.395   18.205  147.281   25.734  169.529   25.756  244.188   22.550  262.950   20.959 -18.76210 30.78571 
1 1 1    3   25    9 o  306.762   18.281  236.805   26.205  231.911   37.013  241.723   37.105  303.369   26.106  310.155   25.598 -6.785767 36.56238 
1 1 1    3   25   10 o  248.239   22.743  161.981   26.178  140.938   36.986  183.103   37.055  230.094   34.395  266.383   29.765 -36.28906 45.48548 
1 1 1    3   25   11 o  155.594   12.554   56.171   8.7692   68.078   15.116   50.131   10.766  166.931   19.376  144.257   15.969 22.67348 25.10813 
1 1 1    3   25   12 o  222.251   18.374  129.954   17.436  110.440   30.097  139.812   21.391  205.256   31.375  239.247   19.131 -33.99130 36.74757 
1 1 1    3   25   13 o  133.684   12.346   41.541   7.3786   49.597   12.819   37.550   9.0232  142.443   19.256  124.925   15.455 17.51809 24.69103 
1 1 1    3   25   14 o   41.259   12.277   0.4701   4.0461   2.4497   6.0346  -1.1466   5.4536   45.413   18.360   37.105   16.305 8.307621 24.55446 
1 1 1    3   25   15 o  112.091   13.348   31.996   6.1992   28.659   11.046   33.530   7.4901  105.671   23.018  118.512   13.523 -12.84122 26.69640 
1 1 1    3   25   16 o   54.856   13.054   5.6764   3.4043   10.147   7.3764   4.4664   3.8374   64.943   21.167   44.769   15.282 20.17403 26.10769 
1 1 1    3   25   17 o  191.304   11.046   87.003   9.7045   93.200   15.417   82.936   12.489  196.466   16.791  186.142   14.356 10.32481 22.09156 
1 1 1    3   25   18 o   65.298   11.620   12.227   3.6178   3.7414   7.2983   14.991   4.1656   51.118   20.354   79.478   11.215 -28.36008 23.23900 
1 1 1    3   25   19 o  124.363   12.820   37.451   7.1203   38.572   12.031   36.847   8.8333  125.039   20.588  123.686   15.281 1.352409 25.63972 
1 1 1    3   25   20 o  245.801   19.420  156.800   20.855  152.964   36.015  158.734   25.580  239.114   32.228  252.488   21.678 -13.37350 38.84029 
1 1 1    3   25   21 o  145.915   10.957   51.521   7.4713   51.298   10.632   51.738   10.502  145.560   15.629  146.269   15.362 -0.7083435 21.91477 
1 1 1    3   25   22 o   81.841   11.289   16.731   4.2060   12.826   5.9479   20.637   5.9483   71.029   17.919   92.654   13.737 -21.62587 22.57864 
1 1 1    3   25   23 o  235.633   14.769  138.613   16.188  124.024   22.886  153.220   22.900  222.381   22.021  248.884   19.688 -26.50296 29.53862 
1 1 1    3   25   24 o   53.161   11.807   6.8444   3.2947   7.8766   4.5688   5.7261   4.7555   56.310   16.377   50.011   17.013 6.298847 23.61473 
1 1 1    3   25   25 o   44.245   11.781   3.5948   3.3229   2.8778   4.6063   4.3727   4.7982   42.104   16.347   46.386   16.967 -4.281395 23.56103 
1 1 1    3   25   26 o  226.190   18.834  135.904   18.308  120.077   31.543  143.945   22.482  211.219   31.954  241.162   19.948 -29.94389 37.66898 
1 1 1    3   25   27 o  176.135   12.046   75.593   9.9125   76.232   13.877   74.927   14.164  177.004   16.775  175.266   17.292 1.738556 24.09212 
1 1 1    3   25   28 o  264.162   16.091  175.446   19.834  164.205   27.957  186.838   28.145  255.062   23.453  273.262   22.038 -18.19983 32.18240 
1 1 1    3   25   29 o   49.963   12.998   4.3137   4.5642  -5.0985   8.0103   8.8386   5.5539   40.287   18.528   59.639   18.235 -19.35139 25.99582 
1 1 1    3   25   30 o  144.834   11.863   52.086   7.7917   67.107   11.157   37.786   10.886  166.408   14.347  123.260   18.897 43.14805 23.72620 
1 1 1    3   25   31 o  165.579   25.066   71.174   19.397   71.174   19.397   0.0000   0.0000  165.579   25.066  ?   ?       ?      ? 
1 1 1    3   25   32 o  245.588   15.644  153.574   17.730  179.914   25.125  127.446   25.024  268.404   20.030  222.771   24.035 45.63268 31.28740 
1 1 1    3   25   33 o  148.465   15.228   57.006   9.6169   54.497   16.480   58.301   11.842  142.793   25.638  154.138   16.439 -11.34483 30.45569 
1 1 1    3   25   34 o   98.448   14.425   23.252   6.2096   33.959   10.719   17.844   7.6183  114.284   20.836   82.613   19.956 31.67167 28.85086 
1 1 1    3   25   35 o   47.208   13.533  -1.5721   4.7697  -6.5943   5.7401   9.6297   8.5727   30.817   14.647   63.599   22.759 -32.78260 27.06504 
1 1 1    3   25   36 o   85.797   16.368   20.105   7.9065   32.941   10.624   4.1700   11.837  111.997   21.071   59.597   25.053 52.40004 32.73595 
1 1 1    3   25   37 o   86.799   24.757   20.757   10.535   20.757   10.535   0.0000   0.0000   86.799   24.757  ?   ?       ?      ? 
1 1 1    3   25   38 o   92.548   18.256   23.918   8.1586   22.258   10.940   25.998   12.246   89.312   25.145   95.784   26.473 -6.472572 36.51121 
1 1 1    3   25   39 f   34.643   11.821 -10.9407   4.6598  -2.1991   9.0575 -14.0873   5.4341   45.561   20.454   23.725   11.856 21.83619 23.64187 
1 1 1    3   25   40 o   48.172   14.563   0.8547   5.4500   4.8783   9.7155  -0.9929   6.5834   56.116   23.065   40.227   17.785 15.88824 29.12556 
1 1 1    3   25   41 o   42.413   13.303  -1.3361   5.3390  -9.3905   9.6450   2.2222   6.4108   40.061   19.025   44.766   18.599 -4.704739 26.60550 
1 1 1    3   25   42 o   48.738   14.255  -3.0312   6.5646 -19.3791   9.7688   10.430   8.8645   33.776   16.712   63.700   23.098 -29.92396 28.50983 
1 1 1    3   25   43 o   51.141   15.291   3.1147   6.3132   1.7843   9.1993   4.2989   8.6797   49.848   21.548   52.434   21.701 -2.586365 30.58171 
1 1 1    3   25   44 o   39.927   12.880  -3.0092   4.9407  -0.4516   8.7247  -4.2165   5.9945   46.041   20.409   33.812   15.717 12.22911 25.75939 
1 1 1    3   25   45 o  104.734   26.154   33.147   12.763   0.0000   0.0000   33.147   12.763  ?   ?   104.734   26.154      ?      ? 
1 1 1    3   25   46 o  101.905   16.026   28.579   7.2654   22.068   9.0443   40.425   12.199   86.495   22.248  117.315   23.073 -30.82069 32.05147 
1 1 1    3   25   47 o   58.255   16.200   7.7404   6.9533   0.4648   10.477   13.468   9.2959   49.195   22.048   67.314   23.741 -18.11920 32.39990 
1 1 1    3   25   48 o   33.452   11.487  -8.3451   4.6634  -5.6517   9.0615  -9.3155   5.4390   40.345   18.938   26.558   13.007 13.78616 22.97485 
1 1 1    3   25   49 o   56.574   14.435   9.1005   4.9178   7.8897   7.1499   10.188   6.7748   54.091   20.527   59.057   20.302 -4.966190 28.87090 
1 1 1    3   25   50 o   45.527   13.441   3.8600   4.7730   4.5511   6.7889   3.1844   6.7120   46.754   19.256   44.301   18.757 2.453465 26.88168 
1 1 1    3   25   51 o   34.461   16.497  -6.4938   7.5594   0.0000   0.0000  -6.4938   7.5594  ?   ?    34.461   16.497      ?      ? 
1 1 1    3   25   52 o   51.232   14.921   6.7617   5.6205   6.5669   7.0245   7.1084   9.3704   49.882   19.934   52.582   22.207 -2.700581 29.84170 
1 1 1    3   25   53 o   79.307   15.059   20.609   5.6990   20.642   8.1241   20.577   7.9965   79.203   21.428   79.411   21.163 -0.2082367 30.11741 
1 1 1    3   25   54 f   49.442   14.371   6.9638   5.6274   1.5489   9.4745   9.9153   6.9948   44.136   20.243   54.748   20.403 -10.61179 28.74168 
1 1 1    3   26    0 o  142.661   11.182   49.967   10.212   49.967   10.212   49.967   10.212  142.661   15.814  142.661   15.814 -0.000000 0.000000 
1 1 1    3   26    1 o  112.447   10.945   31.363   5.2963   19.739   7.3178   44.150   7.6753   88.641   18.272  136.253   12.053 -47.61186 21.88933 
1 1 1    3   26    2 o  204.717   16.076  102.892   14.550  107.798   25.167  100.429   17.832  206.428   26.087  203.006   18.795 3.421844 32.15287 
1 1 1    3   26    3 o   47.129   11.264   4.9395   3.0332   6.6088   4.1405   3.0061   4.4561   52.118   15.703   42.141   16.154 9.976791 22.52843 
1 1 1    3   26    4 o  126.412   9.7815   38.416   5.7297   43.840   8.0771   32.921   8.1292  135.662   12.739  117.161   14.846 18.50140 19.56296 
1 1 1    3   26    5 o  150.111   10.131   55.251   6.8607   47.970   10.787   60.197   8.8908  141.060   16.362  159.163   11.952 -18.10277 20.26289 
1 1 1    3   26    6 o  275.403   20.994  195.557   25.336  194.995   43.799  195.840   31.060  270.417   34.657  280.389   23.703 -9.972137 41.98740 
1 1 1    3   26    7 o  200.302   12.802   97.378   11.977   93.441   16.933  101.318   16.942  196.097   18.477  204.508   17.726 -8.410645 25.60446 
1 1 1    3   26    8 o  375.363   54.042  441.500   94.803   0.0000   0.0000  441.500   94.803  ?   ?   375.363   54.042      ?      ? 
1 1 1    3   26    9 o  376.010   31.598  369.107   55.527   0.0000   0.0000  369.107   55.527  ?   ?   376.010   31.598      ?      ? 
1 1 1    3   26   10 o  138.565   21.599   47.366   13.987   0.0000   0.0000   47.366   13.987  ?   ?   138.565   21.599      ?      ? 
1 1 1    3   26   11 o  121.804   15.150   35.649   8.6243   0.0000   0.0000   35.649   8.6243  ?   ?   121.804   15.150      ?      ? 
1 1 1    3   26   12 o  292.413   18.852  208.880   25.763   0.0000   0.0000  208.880   25.763  ?   ?   292.413   18.852      ?      ? 
1 1 1    3   26   13 o  182.068   17.121   80.489   14.568   0.0000   0.0000   80.489   14.568  ?   ?   182.068   17.121      ?      ? 
1 1 1    3   26   14 o  240.666   18.444  153.024   17.364  137.150   34.677  158.336   20.059  225.975   32.835  255.356   16.809 -29.38063 36.88733 
1 1 1    3   26   15 o  231.807   14.390  134.217   15.302  163.080   21.728  105.818   21.553  258.181   18.008  205.433   22.449 52.74788 28.77918 
1 1 1    3   26   16 o   78.845   10.851   16.693   3.7686   9.8413   5.8793   21.471   4.9099   62.702   18.671   94.989   11.060 -32.28649 21.70127 
1 1 1    3   26   17 o   40.992   10.792   2.3768   2.7898   5.6508   4.5939   0.4640   3.5114   49.508   16.722   32.476   13.648 17.03154 21.58470 
1 1 1    3   26   18 o  169.779   10.363   68.096   8.1105   78.456   12.828   61.196   10.469  180.095   15.241  159.464   14.047 20.63123 20.72675 
1 1 1    3   26   19 f  174.609   11.603   77.795   8.9187   59.399   14.077   90.130   11.527  155.142   19.415  194.076   12.709 -38.93346 23.20502 
1 1 1    3   26   20 o   42.492   11.253   2.4618   3.2245  -0.6699   4.3846   6.1507   4.7586   33.744   14.729   51.240   17.016 -17.49633 22.50514 
1 1 1    3   26   21 o  155.139   11.446   58.473   8.2793   53.746   11.653   63.292   11.765  148.585   16.782  161.693   15.568 -13.10858 22.89110 
1 1 1    3   26   22 o  177.576   12.195   76.999   10.108   81.089   14.280   72.893   14.311  182.523   16.741  172.630   17.738 9.892670 24.39047 
1 1 1    3   26   23 o  166.792   16.135   73.578   11.128   61.878   19.187   79.507   13.659  152.554   27.941  181.031   16.145 -28.47652 32.27031 
1 1 1    3   26   24 o   52.935   11.015   6.0423   3.9238   12.782   4.8485  -6.7493   6.6796   71.557   14.979   34.313   16.155 37.24388 22.03088 
1 1 1    3   26   25 o  166.322   11.163   67.402   8.5825   55.868   12.040   79.316   12.237  151.289   17.029  181.354   14.438 -30.06514 22.32580 
1 1 1    3   26   26 o   53.490   12.126   6.6534   3.6594   10.034   5.0752   2.9932   5.2812   62.886   16.904   44.094   17.391 18.79166 24.25284 
1 1 1    3   26   27 o  194.040   12.721   93.384   11.460   81.212   16.121  105.821   16.295  180.532   19.107  207.548   16.800 -27.01619 25.44248 
1 1 1    3   26   28 o  213.526   13.345  113.576   13.168   94.449   18.509  133.181   18.739  194.199   20.393  232.853   17.219 -38.65366 26.69065 
1 1 1    3   26   29 o  247.723   15.408  155.877   17.641  130.661   24.866  181.429   25.031  225.863   23.557  269.583   19.867 -43.72009 30.81640 
1 1 1    3   26   30 o  157.998   17.771   73.253   11.123   46.260   18.933   87.478   13.745  126.777   31.963  189.219   15.543 -62.44245 35.54193 
1 1 1    3   26   31 o  242.918   18.535  149.723   20.136  132.782   24.620  183.941   34.991  226.284   23.281  259.552   28.847 -33.26752 37.06908 
1 1 1    3   26   32 o  201.617   23.499  152.391   19.028  208.211   23.419   43.976   32.638  289.461   17.312  113.773   43.693 175.6874 46.99804 
1 1 1    3   26   33 o   78.554   24.145   16.609   9.7227   16.609   9.7227   0.0000   0.0000   78.554   24.145  ?   ?       ?      ? 
1 1 1    3   26   34 o  226.012   25.704  157.186   25.104  105.135   35.347  210.161   35.659  175.203   43.394  276.820   27.563 -101.6176 51.40822 
1 1 1    3   26   35 o   60.997   16.464   7.2981   6.4635   4.3529   8.2795   11.894   10.342   52.993   21.477   69.000   24.960 -16.00705 32.92850 
1 1 1    3   26   36 o  189.346   19.778  105.741   15.173   82.830   25.836  117.803   18.747  163.404   34.892  215.289   18.632 -51.88515 39.55516 
1 1 1    3   26   37 o   42.766   13.292  -1.2961   5.3625  -9.7857   9.3218   2.9030   6.5559   39.029   18.583   46.503   19.011 -7.474243 26.58450 
1 1 1    3   26   38 o  100.610   16.670   26.954   7.3475   31.877   12.857   24.566   8.9535  105.528   26.193   95.693   20.628 9.834946 33.34008 
1 1 1    3   26   39 o  123.228   12.688   39.045   7.2556   34.732   10.374   43.175   10.151  115.772   19.174  130.684   16.621 -14.91197 25.37509 
1 1 1    3   26   40 o   47.701   14.859   0.1454   6.4507  -0.8923   9.1017   1.1927   9.1438   46.381   20.685   49.022   21.336 -2.641277 29.71723 
1 1 1    3   26   41 f   76.262   16.565   16.290   6.2631   17.235   10.761   15.806   7.7021   77.051   25.589   75.473   21.044 1.578125 33.13069 
1 1 1    3   26   42 o   71.580   16.583   13.723   6.1403   17.470   10.557   11.807   7.5483   77.384   25.328   65.775   21.412 11.60887 33.16586 
1 1 1    3   26   43 o   64.288   17.031   11.066   6.9523   12.587   9.4990   9.3120   10.203   66.967   23.958   61.609   24.212 5.358257 34.06201 
1 1 1    3   26   44 o   47.866   14.508   1.7168   6.0415   6.5783   8.4828  -3.2876   8.6066   54.270   21.828   41.462   19.118 12.80827 29.01665 
1 1 1    3   26   45 o   46.735   13.759   1.7705   5.0774  -2.3248   6.5576   7.9005   8.0231   37.247   16.992   56.223   21.645 -18.97539 27.51789 
1 1 1    3   26   46 o   93.916   15.390   24.301   8.1339   48.637   12.244   5.0788   10.882  132.745   19.736   55.087   23.620 77.65842 30.78023 
1 1 1    3   26   47 o   83.351   16.536   21.902   6.5486   20.806   8.2301   23.792   10.811   82.744   21.190   83.959   25.392 -1.214760 33.07198 
1 1 1    3   26   48 o  100.623   28.708   37.800   14.164   37.800   14.164   0.0000   0.0000  100.623   28.708  ?   ?       ?      ? 
1 1 1    3   26   49 o   68.638   14.617   14.800   5.2244   19.019   7.5243   10.874   7.2596   78.236   20.376   59.040   20.963 19.19615 29.23459 
1 1 1    3   26   50 o   38.340   12.070  -0.3177   4.5012   3.2029   6.3389  -3.8984   6.3928   43.024   18.223   33.656   15.833 9.368214 24.14075 
1 1 1    3   26   51 o   59.008   16.905   11.842   7.2923   10.082   10.479   13.496   10.155   56.460   23.645   61.557   24.167 -5.096741 33.80984 
1 1 1    3   26   52 o   74.720   15.297   21.362   6.4995   11.007   10.577   27.644   8.2384   55.877   23.596   93.564   19.474 -37.68727 30.59423 
1 1 1    3   27    0 o  112.332   11.080   31.616   7.7682   31.616   7.7682   31.616   7.7682  112.332   15.669  112.332   15.669 -0.000000 0.000000 
1 1 1    3   27    1 o  138.394   10.661   46.268   6.8554   52.457   9.7849   40.302   9.6077  147.751   14.170  129.038   15.932 18.71271 21.32170 
1 1 1    3   27    2 o   42.790   11.212   3.5361   2.9852   3.0368   4.2834   4.0076   4.1626   41.618   15.865   43.962   15.846 -2.344715 22.42299 
1 1 1    3   27    3 f  211.697   20.175  127.615   16.866   89.992   29.042  146.761   20.717  178.445   36.065  244.949   18.097 -66.50400 40.35049 
1 1 1    3   27    4 o  175.906   18.531   80.996   14.457   61.497   20.356  100.842   20.536  150.900   29.921  200.912   21.871 -50.01234 37.06223 
1 1 1    3   27    5 o  261.030   19.363  173.153   22.364  188.208   38.815  165.673   27.362  265.396   31.294  256.663   22.810 8.732758 38.72522 
1 1 1    3   27    6 o  178.783   17.597   81.604   14.669   87.813   20.800   75.461   20.690  186.132   23.911  171.435   25.823 14.69675 35.19333 
1 1 1    3   27    7 o  126.476   11.937   36.281   6.7605   49.115   11.824   30.047   8.2403  141.630   17.863  111.322   15.839 30.30783 23.87402 
1 1 1    3   27    8 o   78.367   16.215   15.420   5.7427   0.0000   0.0000   15.420   5.7427  ?   ?    78.367   16.215      ?      ? 
1 1 1    3   27    9 o  159.234   15.795   61.503   11.754   0.0000   0.0000   61.503   11.754  ?   ?   159.234   15.795      ?      ? 
1 1 1    3   27   10 o   71.379   11.828   14.694   3.9183   6.0618   7.2509   18.255   4.6568   55.233   20.736   87.525   11.384 -32.29226 23.65572 
1 1 1    3   27   11 f  148.055   13.112   55.004   7.8524   51.412   15.283   56.292   9.1529  142.778   22.904  153.331   12.773 -10.55270 26.22487 
1 1 1    3   27   12 f   84.134   12.664   18.687   4.3167   15.307   8.5811   19.831   4.9947   77.075   22.453   91.193   11.719 -14.11777 25.32722 
1 1 1    3   27   13 o  229.121   16.539  127.642   17.710   0.0000   0.0000  127.642   17.710  ?   ?   229.121   16.539      ?      ? 
1 1 1    3   27   14 o  123.044   11.414   36.059   6.5637   0.0000   0.0000   36.059   6.5637  ?   ?   123.044   11.414      ?      ? 
1 1 1    3   27   15 o   90.848   11.213   20.650   4.5702   16.328   6.5721   24.696   6.3597   80.235   17.973  101.461   13.412 -21.22533 22.42556 
1 1 1    3   27   16 o  111.201   12.189   28.865   5.3419   34.156   10.970   27.220   6.1161  115.660   21.071  106.742   12.260 8.917267 24.37855 
1 1 1    3   27   17 o  162.471   9.9638   62.434   7.4445   69.382   11.842   57.895   9.5724  169.528   14.947  155.415   13.179 14.11304 19.92755 
1 1 1    3   27   18 o   85.683   10.526   18.011   4.0263   17.841   6.3580   18.125   5.2023   84.333   16.722   87.033   12.790 -2.700417 21.05293 
1 1 1    3   27   19 o  114.919   10.823   32.522   5.4918   42.456   7.9335   23.383   7.6098  133.235   12.741   96.603   17.500 36.63187 21.64649 
1 1 1    3   27   20 o   65.592   12.258   10.875   3.8141   10.711   5.3668   11.043   5.4215   65.107   17.331   66.077   17.338 -0.9696960 24.51526 
1 1 1    3   27   21 o  113.529   10.825   31.600   5.6620   36.737   7.9048   26.188   8.1138  123.525   13.693  103.534   16.769 19.99062 21.64917 
1 1 1    3   27   22 o  131.301   10.752   41.915   6.5709   37.092   9.1375   47.080   9.4561  123.256   15.863  139.347   14.520 -16.09135 21.50481 
1 1 1    3   27   23 o  154.779   24.161   61.904   17.477   61.904   17.477   0.0000   0.0000  154.779   24.161  ?   ?       ?      ? 
1 1 1    3   27   24 o   35.336   10.133  -0.5159   3.0380  -6.0271   4.4839   4.1610   4.1307   26.499   12.691   44.173   15.799 -17.67327 20.26505 
1 1 1    3   27   25 o   93.412   11.657   21.712   4.9505   18.901   6.9680   24.576   7.0347   86.189   17.885  100.634   14.957 -14.44547 23.31477 
1 1 1    3   27   26 o  142.415   13.587   50.321   8.5420   49.754   10.489   51.439   14.719  142.719   15.726  142.110   22.162 0.6085052 27.17448 
1 1 1    3   27   27 o  129.414   12.741   38.811   7.3971   31.970   9.0403   52.670   12.867  113.765   17.003  145.063   18.979 -31.29745 25.48172 
1 1 1    3   27   28 o   33.214   10.995  -9.5378   4.2390   0.3699   6.9258 -15.4731   5.3604   43.671   18.787   22.758   11.430 20.91321 21.99092 
1 1 1    3   27   29 o   52.454   12.904   5.2113   4.4999  -2.1161   6.7651   11.026   6.0265   39.582   17.730   65.325   18.755 -25.74264 25.80887 
1 1 1    3   27   30 f  180.100   20.708   91.901   16.408   66.335   23.176  117.594   23.234  148.456   34.119  211.745   23.478 -63.28853 41.41648 
1 1 1    3   27   31 o  117.725   17.185   37.681   9.1436   41.806   13.120   33.786   12.750  124.763   23.360  110.687   25.211 14.07664 34.36941 
1 1 1    3   27   32 o  112.772   17.364   35.120   8.9346   28.198   12.553   42.226   12.720   99.850   26.471  125.694   22.478 -25.84394 34.72714 
1 1 1    3   27   33 o   59.770   15.200   8.3647   5.3749   10.074   8.2271   7.0920   7.0995   63.551   22.342   55.989   20.615 7.562843 30.39994 
1 1 1    3   27   34 o   72.166   15.674   14.329   5.8247   11.066   9.7550   16.138   7.2613   66.600   24.218   77.732   19.902 -11.13184 31.34701 
1 1 1    3   27   35 o   65.528   17.029   10.427   6.8555   8.4983   9.3273   12.692   10.110   61.359   23.407   69.698   24.740 -8.338818 34.05805 
1 1 1    3   27   36 o   97.434   15.914   25.135   6.9649   21.066   8.8177   31.885   11.357   87.657   21.652  107.211   23.329 -19.55431 31.82852 
1 1 1    3   27   37 o  115.524   13.283   35.265   6.8191   25.995   9.4495   45.339   9.8503   97.055   21.408  133.994   15.730 -36.93909 26.56526 
1 1 1    3   27   38 o   54.381   14.408   6.6458   5.2442   0.8985   8.6781   9.9521   6.5820   47.589   20.748   61.173   19.998 -13.58408 28.81639 
1 1 1    3   27   39 o   45.177   13.148   0.5571   5.1824 -10.0148   8.3560   7.1655   6.6065   35.721   17.165   54.633   19.921 -18.91244 26.29561 
1 1 1    3   27   40 o   82.839   18.100   20.436   7.7230   18.044   10.555   23.193   11.330   78.017   25.315   87.661   25.875 -9.643913 36.19955 
1 1 1    3   27   41 o   46.888   14.485   0.6479   6.2087  -4.2652   9.3071   4.5875   8.3341   42.473   19.688   51.304   21.252 -8.830944 28.96970 
1 1 1    3   27   42 o   66.744   15.702   12.613   5.5488   10.980   6.9177   15.560   9.2918   62.123   20.511   71.365   23.782 -9.241283 31.40481 
1 1 1    3   27   43 o   62.466   20.485   10.975   6.9047   10.975   6.9047   0.0000   0.0000   62.466   20.485  ?   ?       ?      ? 
1 1 1    3   27   44 o   81.760   14.632   19.646   5.6444   22.654   7.9594   16.603   8.0056   89.074   19.647   74.445   21.687 14.62949 29.26332 
1 1 1    3   27   45 f   66.363   14.310   13.271   5.1065   8.4570   7.2681   17.964   7.1762   54.999   20.738   77.727   19.723 -22.72800 28.61926 
1 1 1    3   27   46 o   58.187   13.428   9.7342   4.6701   3.7362   6.8141   15.047   6.4131   45.292   19.023   71.082   18.957 -25.78934 26.85546 
1 1 1    3   27   47 o   40.514   12.800   0.7180   4.8722  -4.1074   9.0284   2.7006   5.7872   39.765   18.740   41.263   17.441 -1.498314 25.60046 
1 1 1    3   27   48 o   68.401   14.678   16.562   5.9017   5.9431   10.642   21.278   7.0921   52.116   22.841   84.687   18.442 -32.57081 29.35690 
1 1 1    3   27   49 f   68.046   15.304   16.899   6.1154   8.5130   10.926   20.725   7.3796   54.470   23.515   81.622   19.594 -27.15206 30.60815 
1 1 1    3   27   50 o   44.349   13.705   1.1821   5.1553   10.678   9.1134  -3.2867   6.2517   55.529   22.523   33.169   15.621 22.35941 27.40939 
1 1 1    3   28    1 o   99.279   21.774   25.466   9.8248   25.466   9.8248   0.0000   0.0000   99.279   21.774  ?   ?       ?      ? 
1 1 1    3   28    2 o  177.258   24.982   80.206   20.696   80.206   20.696   0.0000   0.0000  177.258   24.982  ?   ?       ?      ? 
1 1 1    3   28    3 o  123.769   15.252   38.765   8.6286   39.636   12.021   37.840   12.392  126.419   20.347  121.118   22.728 5.300285 30.50484 
1 1 1    3   28    4 o  123.611   14.497   36.818   8.3749   36.818   8.3749   0.0000   0.0000  123.611   14.497  ?   ?       ?      ? 
1 1 1    3   28    5 o   83.979   13.004   16.777   5.8474   33.609   8.6149   2.3972   7.9625  117.804   15.648   50.154   20.774 67.65072 26.00744 
1 1 1    3   28    6 o  148.401   15.956   55.322   11.037   60.615   15.832   50.316   15.395  155.669   21.762  141.133   23.340 14.53641 31.91105 
1 1 1    3   28    7 o  208.648   14.999  101.740   13.990  133.145   24.549   86.634   17.025  229.944   22.844  187.351   19.445 42.59286 29.99890 
1 1 1    3   28    8 o  188.253   14.140   86.379   10.753   90.430   21.588   85.043   12.401  188.495   24.506  188.011   14.113 0.4840088 28.27945 
1 1 1    3   28    9 o  162.938   9.8477   62.407   7.4004   72.835   11.679   55.412   9.5657  173.911   14.370  151.964   13.469 21.94653 19.69535 
1 1 1    3   28   10 o  298.878   24.987  250.292   32.079  232.876   55.589  258.988   39.280  280.821   42.357  316.936   26.519 -36.11530 49.97326 
1 1 1    3   28   11 o  291.499   15.441  210.455   20.686  222.813   32.671  202.186   26.725  297.052   23.533  285.946   19.998 11.10535 30.88268 
1 1 1    3   28   12 f  129.890   11.235   39.082   6.1733   45.177   11.852   36.812   7.2319  135.655   18.694  124.124   12.467 11.53098 22.46943 
1 1 1    3   28   13 o  253.352   17.732  157.585   18.344  177.213   36.729  151.063   21.174  258.433   30.410  248.272   18.248 10.16107 35.46494 
1 1 1    3   28   14 f  196.620   19.303  113.252   13.497   78.125   26.804  125.184   15.622  165.474   35.707  227.766   14.675 -62.29173 38.60530 
1 1 1    3   28   15 o  207.359   15.397  104.321   14.921   0.0000   0.0000  104.321   14.921  ?   ?   207.359   15.397      ?      ? 
1 1 1    3   28   16 o   71.442   11.038   12.983   3.5769   11.151   5.7073   14.167   4.5901   66.110   17.992   76.774   12.793 -10.66388 22.07618 
1 1 1    3   28   17 o  291.053   18.263  222.161   24.769  240.021   35.051  204.348   35.005  304.143   24.660  277.964   26.946 26.17926 36.52679 
1 1 1    3   28   18 o  187.985   12.947   88.760   11.047  112.398   15.681   65.470   15.565  214.653   15.631  161.318   20.645 53.33575 25.89465 
1 1 1    3   28   19 o  127.729   11.795   41.146   6.5323   55.448   9.3462   27.488   9.1335  151.785   13.175  103.673   19.568 48.11153 23.59024 
1 1 1    3   28   20 o  211.717   13.896  111.782   13.720  119.833   19.417  103.755   19.388  219.832   18.900  203.603   20.376 16.22826 27.79164 
1 1 1    3   28   21 o   58.832   12.133   8.6105   3.7534   4.6601   5.4359   12.210   5.1889   48.298   17.989   69.367   16.285 -21.06944 24.26525 
1 1 1    3   28   22 o  102.705   15.375   27.108   7.3303   18.934   9.9621   36.760   10.825   84.129   24.102  121.281   19.098 -37.15215 30.75060 
1 1 1    3   28   23 o   67.877   14.816   11.584   5.8057   18.132   7.7107   3.0128   8.8219   83.263   20.054   52.490   21.814 30.77292 29.63113 
1 1 1    3   28   24 o  240.774   24.315  168.838   27.306  158.376   38.520  179.404   38.713  231.578   35.592  249.971   33.138 -18.39218 48.63042 
1 1 1    3   28   25 o   40.333   12.438  -2.0408   4.4778  -5.5332   5.7936   3.1403   7.0566   32.119   15.098   48.547   19.771 -16.42780 24.87671 
1 1 1    3   28   26 o   95.595   16.038   24.525   7.0656   22.262   9.8165   26.957   10.178   90.745   23.090  100.445   22.266 -9.700066 32.07698 
1 1 1    3   28   27 o   65.018   14.505   10.296   5.3479   16.377   7.5505   4.1738   7.5756   78.627   20.380   51.409   20.646 27.21826 29.00978 
1 1 1    3   28   28 o  113.211   14.035   32.161   7.0473   37.284   11.703   29.246   8.8273  118.393   21.959  108.028   17.484 10.36494 28.06963 
1 1 1    3   28   29 o  119.020   13.766   36.428   7.0997   37.106   11.986   36.062   8.8120  117.400   22.666  120.640   15.629 -3.239410 27.53207 
1 1 1    3   28   30 o   71.706   14.441   13.748   5.1277   11.430   7.3742   15.918   7.1351   66.060   21.131   77.352   19.687 -11.29224 28.88128 
1 1 1    3   28   31 o  119.254   14.956   35.445   7.9485   51.068   12.989   26.092   10.050  140.748   19.747   97.760   22.468 42.98740 29.91202 
1 1 1    3   28   32 o   86.965   16.455   21.094   6.6243   20.113   11.428   21.590   8.1293   83.970   26.238   89.961   19.866 -5.991638 32.91024 
1 1 1    3   28   33 o   45.177   13.000   2.2696   4.4881  -1.1934   6.4151   5.5897   6.2813   39.276   17.451   51.078   19.274 -11.80147 26.00068 
1 1 1    3   28   34 o  149.930   14.919   56.802   10.060   73.576   17.348   48.304   12.348  164.256   22.598  135.604   19.484 28.65202 29.83811 
1 1 1    3   28   35 o  100.886   15.756   25.912   7.0419   40.509   12.174   18.573   8.6327  120.659   22.414   81.114   22.149 39.54499 31.51162 
1 1 1    3   28   36 o  161.704   17.615   74.462   12.047   71.210   20.550   76.165   14.870  152.438   29.913  170.970   18.610 -18.53244 35.22949 
1 1 1    3   28   37 o  149.273   28.981   68.265   19.489   0.0000   0.0000   68.265   19.489  ?   ?   149.273   28.981      ?      ? 
1 1 1    3   28   38 o   56.790   16.171   6.1570   6.8623   0.9290   9.7047   11.385   9.7049   49.029   21.639   64.551   24.038 -15.52177 32.34289 
1 1 1    3   28   39 o   84.398   20.796   20.613   8.1494   20.613   8.1494   0.0000   0.0000   84.398   20.796  ?   ?       ?      ? 
1 1 1    3   28   40 o   58.374   15.192   9.1221   5.3651   9.6114   6.6736   8.2280   9.0212   59.038   20.154   57.710   22.739 1.327904 30.38494 
1 1 1    3   28   41 o  124.724   13.679   43.186   7.6196   50.646   10.645   35.348   10.911  138.953   16.392  110.494   21.904 28.45845 27.35838 
1 1 1    3   28   42 o   56.771   14.986   5.1948   5.6008   18.193   9.7163  -1.2734   6.8541   74.791   24.290   38.751   17.558 36.03980 29.97139 
1 1 1    3   28   43 o   80.571   16.282   18.331   6.2564   31.709   11.217   12.290   7.5377   98.124   24.528   63.019   21.419 35.10529 32.56345 
1 1 1    3   28   44 o   80.198   16.692   22.247   6.7069   19.472   11.718   23.599   8.1790   72.355   26.508   88.041   20.294 -15.68625 33.38471 
1 1 1    3   28   45 o   57.289   14.172   9.7304   4.9485   14.213   7.0276   5.3213   6.9694   66.936   20.519   47.641   19.553 19.29522 28.34372 
1 1 1    3   28   46 o   62.605   13.740   11.841   4.8972   5.5796   6.8742   18.293   6.9783   47.878   19.508   77.332   19.355 -29.45401 27.47992 
1 1 1    3   28   47 o   34.995   11.768  -3.9011   4.7699  -3.7386   8.7671  -3.9694   5.6850   38.790   18.338   31.200   14.755 7.590071 23.53661 
1 1 1    3   28   48 f   71.369   16.827   18.232   6.2616   24.387   11.009   15.288   7.6131   76.811   25.886   65.928   21.505 10.88293 33.65351 
1 1 1    3   29    0 o  111.356   10.689   31.016   7.4578   31.016   7.4578   31.016   7.4578  111.356   15.116  111.356   15.116 -0.000000 0.000000 
1 1 1    3   29    1 o  113.220   10.129   31.038   5.3416   28.942   7.6772   33.006   7.4368  109.320   15.027  117.119   13.587 -7.798782 20.25818 
1 1 1    3   29    2 f  219.150   14.245  120.035   14.500  133.961   20.459  105.978   20.554  232.844   18.801  205.456   21.406 27.38777 28.48988 
1 1 1    3   29    3 o  204.581   18.660  103.416   17.841   0.0000   0.0000  103.416   17.841  ?   ?   204.581   18.660      ?      ? 
1 1 1    3   29    4 f  149.244   13.355   53.222   8.8636   61.637   15.487   49.123   10.809  156.631   21.157  141.857   16.304 14.77322 26.71018 
1 1 1    3   29    5 o  148.680   18.241   59.401   12.017   76.719   16.934   41.830   17.057  174.851   20.723  122.508   30.025 52.34304 36.48206 
1 1 1    3   29    6 o  273.030   21.746  208.927   25.261  222.496   30.998  182.097   43.588  295.779   22.425  250.282   37.264 45.49646 43.49139 
1 1 1    3   29    7 o   71.715   13.208   13.995   4.7029   18.236   6.0282   7.4007   7.5173   85.288   15.702   58.141   21.242 27.14751 26.41559 
1 1 1    3   29    8 o  230.809   14.054  134.062   14.960  158.786   21.288  109.935   21.029  253.354   17.979  208.264   21.606 45.09048 28.10752 
1 1 1    3   29    9 o  188.993   12.445   88.175   10.960   96.793   15.663   79.907   15.342  198.443   16.888  179.544   18.284 18.89861 24.89036 
1 1 1    3   29   10 o  154.670   12.174   51.076   8.1718   90.586   14.844   33.896   9.7886  192.225   16.524  117.115   17.884 75.10934 24.34883 
1 1 1    3   29   11 o  259.001   20.479  177.511   23.345  186.556   40.447  172.992   28.587  258.258   33.511  259.745   23.550 -1.487640 40.95839 
1 1 1    3   29   12 f   70.752   12.879   10.203   4.2321   21.494   7.8409   5.5620   5.0272   91.663   18.930   49.840   17.468 41.82273 25.75831 
1 1 1    3   29   13 o   82.626   10.599   16.847   3.9968   18.386   5.6598   15.315   5.6449   87.279   13.875   77.974   16.026 9.304733 21.19815 
1 1 1    3   29   14 o  186.151   15.552   87.308   12.709   88.987   22.078   86.476   15.543  184.975   25.539  187.327   17.754 -2.351242 31.10410 
1 1 1    3   29   15 o  162.018   17.549   75.463   11.237   51.055   19.404   87.779   13.784  134.281   31.469  189.754   15.543 -55.47269 35.09834 
1 1 1    3   29   16 o   54.117   12.743   5.1624   3.8782   12.250   6.6660   1.5356   4.7683   68.911   19.707   39.323   16.160 29.58864 25.48525 
1 1 1    3   29   17 o  127.410   12.331   36.181   6.7791   58.909   12.035   25.618   8.2046  154.607   16.656  100.213   18.188 54.39400 24.66229 
1 1 1    3   29   18 o  153.689   16.634   61.426   11.944   63.310   16.934   59.562   16.849  156.255   23.189  151.124   23.856 5.130661 33.26894 
1 1 1    3   29   19 o   67.736   14.602   11.534   5.2336   16.151   7.5583   7.2817   7.2540   78.344   20.431   57.129   20.868 21.21524 29.20422 
1 1 1    3   29   20 o   91.397   13.659   20.678   5.5026   26.595   9.1888   17.370   6.8708  100.930   20.186   81.865   18.405 19.06487 27.31704 
1 1 1    3   29   21 o   75.030   13.535   13.960   4.8238   20.484   7.5710   9.5023   6.2586   88.817   18.824   61.243   19.455 27.57454 27.07084 
1 1 1    3   29   22 o   46.209   11.793   3.1504   3.7702  -2.6155   5.4159   8.5714   5.2515   34.288   15.564   58.130   17.723 -23.84251 23.58691 
1 1 1    3   29   23 o   99.116   12.010   23.722   5.5635   0.0000   0.0000   23.722   5.5635  ?   ?    99.116   12.010      ?      ? 
1 1 1    3   29   24 o   75.234   14.032   14.060   5.0143   20.587   8.0663   9.9499   6.4014   88.222   20.022   62.246   19.665 25.97613 28.06422 
1 1 1    3   29   25 o  104.260   22.668   29.453   10.730   29.453   10.730   0.0000   0.0000  104.260   22.668  ?   ?       ?      ? 
1 1 1    3   29   26 o   61.000   13.058   9.6902   4.1007   11.355   5.5401   7.6728   6.0986   65.947   17.634   56.054   19.263 9.892990 26.11532 
1 1 1    3   29   27 o  131.532   11.098   43.023   6.8096   39.691   9.5066   46.534   9.7588  126.078   16.134  136.986   15.243 -10.90825 22.19606 
1 1 1    3   29   28 o  131.614   11.746   43.680   7.1752   45.562   9.7535   41.461   10.593  135.349   15.419  127.879   17.725 7.470169 23.49292 
1 1 1    3   29   29 o   63.977   14.732   8.5717   6.4992   19.633   8.5171  -6.8475   10.056   84.758   21.476   43.196   20.171 41.56119 29.46333 
1 1 1    3   29   30 o  112.056   15.707   35.618   7.7062   29.103   12.599   39.513   9.7408   99.347   26.604  124.766   16.705 -25.41972 31.41394 
1 1 1    3   29   31 o  143.704   15.047   50.838   9.3564   82.057   15.984   34.565   11.540  176.585   19.368  110.823   23.033 65.76212 30.09380 
1 1 1    3   29   32 o   65.790   21.128   11.781   7.3663   0.0000   0.0000   11.781   7.3663  ?   ?    65.790   21.128      ?      ? 
1 1 1    3   29   33 o   54.719   15.387   5.2288   6.2550   9.9968   8.3578  -0.8426   9.4311   62.256   22.451   47.183   21.049 15.07230 30.77477 
1 1 1    3   29   34 o   79.700   17.551   18.748   7.2382   19.149   10.249   18.349   10.224   80.517   24.796   78.883   24.845 1.634148 35.10136 
1 1 1    3   29   35 o  122.772   15.680   40.771   8.3884   36.632   10.269   49.072   14.543  117.116   18.761  128.429   25.129 -11.31297 31.36019 
1 1 1    3   29   36 o   47.478   14.245   1.6495   5.3280  -1.5392   6.5861   7.6884   9.0637   38.255   17.283   56.701   22.649 -18.44643 28.49014 
1 1 1    3   29   37 o   48.088   14.155   3.8156   5.1668   4.0357   6.5635   3.4568   8.3784   46.934   19.085   49.241   20.909 -2.307106 28.30942 
1 1 1    3   29   38 o   98.923   13.934   27.610   6.2898   19.205   8.8618   36.142   8.9289   80.246   22.643  117.600   16.246 -37.35345 27.86874 
1 1 1    3   29   39 o   81.257   16.763   18.658   6.5712   30.135   11.522   13.126   8.0000   96.611   25.240   65.902   22.068 30.70892 33.52675 
1 1 1    3   29   40 o   60.418   14.957   11.209   5.7332   15.282   7.1722   3.9990   9.5417   70.800   20.499   50.036   21.787 20.76431 29.91427 
1 1 1    3   29   41 o   92.969   14.078   25.985   5.9451   22.207   8.4567   29.675   8.3594   84.357   21.413  101.581   18.281 -17.22353 28.15508 
1 1 1    3   29   42 o   87.573   13.571   23.594   5.7840   12.759   8.1336   34.680   8.2268   62.523   22.191  112.623   15.630 -50.09930 27.14256 
1 1 1    3   29   43 f  119.584   13.348   42.065   7.2293   36.879   10.152   47.401   10.297  109.549   20.584  129.618   16.999 -20.06908 26.69572 
1 1 1    3   29   44 o   56.895   14.795   10.408   5.7930   14.378   6.9970   1.7561   10.329   66.894   20.469   46.896   21.367 19.99817 29.58978 
1 1 1    3   29   45 o   70.695   15.387   19.468   6.6279   25.067   8.0515   7.6976   11.673   88.711   19.909   52.679   23.465 36.03239 30.77311 
1 1 1    3   30    0 o  348.114   36.351  360.357   78.281  360.357   78.281  360.357   78.281  348.114   51.409  348.114   51.409 -0.000000 0.000000 
1 1 1    3   30    1 o   57.913   13.706   8.2866   4.4180   4.2155   7.9156   10.129   5.3246   52.727   21.129   63.099   17.463 -10.37167 27.41157 
1 1 1    3   30    2 o  158.998   17.880   73.192   11.266   49.380   19.521   85.084   13.795  131.383   32.072  186.613   15.818 -55.22952 35.76070 
1 1 1    3   30    3 o   41.678   12.647   0.6556   3.9442   0.3862   7.8056   0.7479   4.5706   46.317   19.935   37.040   15.569 9.276535 25.29446 
1 1 1    3   30    4 o  271.720   16.887  190.931   21.426  182.339   30.268  199.561   30.334  264.971   24.442  278.470   23.308 -13.49896 33.77410 
1 1 1    3   30    5 f  179.873   19.130   86.905   15.506  101.241   22.051   72.883   21.808  197.779   23.856  161.968   29.912 35.81090 38.26040 
1 1 1    3   30    6 o  128.347   10.750   40.460   6.3380   49.393   9.0554   31.883   8.8740  142.887   13.560  113.807   16.684 29.07993 21.49993 
1 1 1    3   30    7 o  175.965   12.060   76.448   9.9176   75.648   13.960   77.263   14.092  175.030   17.066  176.900   17.045 -1.870544 24.12029 
1 1 1    3   30    8 o   53.504   11.466   7.2831   3.1279   5.3828   5.1999   8.3606   3.9156   49.477   17.723   57.531   14.553 -8.054142 22.93241 
1 1 1    3   30    9 o  186.817   17.522   86.609   15.298   0.0000   0.0000   86.609   15.298  ?   ?   186.817   17.522      ?      ? 
1 1 1    3   30   10 o  282.147   22.643  232.803   24.293  201.482   48.490  243.299   28.070  253.290   40.963  311.004   19.312 -57.71419 45.28687 
1 1 1    3   30   11 o  144.412   11.789   48.308   7.1652   59.370   14.020   44.397   8.3362  153.410   19.555  135.415   13.172 17.99472 23.57726 
1 1 1    3   30   12 o  135.255   15.077   50.562   7.5731   40.983   15.186   53.733   8.7371  121.323   27.426  149.187   12.531 -27.86402 30.15349 
1 1 1    3   30   13 o  277.397   21.377  204.969   26.527  252.843   46.023  181.153   32.462  295.621   33.312  259.172   26.800 36.44879 42.75437 
1 1 1    3   30   14 o  218.896   14.743  123.570   14.783   97.440   20.858  149.941   20.954  193.281   23.091  244.510   18.337 -51.22836 29.48605 
1 1 1    3   30   15 o  282.716   25.922  214.540   34.250   0.0000   0.0000  214.540   34.250  ?   ?   282.716   25.922      ?      ? 
1 1 1    3   30   16 o   56.067   14.693   6.8830   5.1271   5.9079   7.5647   7.7116   6.9731   54.633   21.022   57.501   20.532 -2.867580 29.38506 
1 1 1    3   30   17 o  130.609   16.081   49.966   8.5076   32.301   14.591   59.065   10.472  105.905   28.744  155.313   14.427 -49.40804 32.16182 
1 1 1    3   30   18 o  163.416   14.863   67.666   10.632   72.567   18.777   65.354   12.900  165.061   24.341  161.771   17.062 3.290298 29.72513 
1 1 1    3   30   19 f  216.194   17.946  127.051   15.202  122.846   30.583  128.431   17.520  205.348   31.868  227.040   16.512 -21.69141 35.89149 
1 1 1    3   30   20 o  143.942   11.908   52.682   7.7578   38.587   10.984   66.714   10.959  123.025   19.103  164.858   14.223 -41.83272 23.81689 
1 1 1    3   30   21 o   78.357   10.823   15.637   3.8425   14.074   5.7778   16.876   5.1452   73.575   17.124   83.140   13.242 -9.565147 21.64683 
1 1 1    3   30   22 o   49.903   11.602   5.9447   3.3602   2.3220   5.0984   8.7269   4.4680   41.586   16.854   58.220   15.950 -16.63340 23.20420 
1 1 1    3   30   23 o   65.841   11.007   12.134   3.7642   3.3468   6.0037   17.826   4.8318   45.995   18.412   85.687   12.066 -39.69220 22.01300 
1 1 1    3   30   24 o   56.898   11.767   7.9291   3.3334   10.984   5.2382   5.8496   4.3214   64.840   17.057   48.956   16.214 15.88358 23.53327 
1 1 1    3   30   25 o   69.542   16.795   12.967   6.5547   13.059   9.2881   12.876   9.2514   69.736   23.776   69.349   23.728 0.3875351 33.59066 
1 1 1    3   30   26 o   58.245   14.739   7.9706   5.0281   11.002   7.9751   5.9707   6.4778   64.473   22.031   52.018   19.586 12.45547 29.47835 
1 1 1    3   30   27 o   50.440   13.619   4.7969   4.9469  -2.9502   8.3080   9.0523   6.1574   42.094   19.173   58.785   19.348 -16.69057 27.23894 
1 1 1    3   30   28 o   35.459   11.906 -10.0558   5.3454 -16.3529   7.0691  -1.6475   8.1686   27.710   13.795   43.208   19.409 -15.49803 23.81264 
1 1 1    3   30   29 o  154.092   19.350   69.592   13.649   66.725   19.083   72.595   19.530  149.233   28.398  158.951   26.290 -9.718613 38.69954 
1 1 1    3   30   30 o  144.775   19.563   62.706   12.894   70.108   18.028   54.955   18.449  157.607   24.476  131.943   30.525 25.66350 39.12619 
1 1 1    3   30   31 o  135.768   15.330   50.193   8.9338   48.402   10.952   53.756   15.446  136.464   17.172  135.071   25.401 1.392395 30.66063 
1 1 1    3   30   32 o   76.793   18.817   16.412   6.7003   16.412   6.7003   0.0000   0.0000   76.793   18.817  ?   ?       ?      ? 
1 1 1    3   30   33 f   86.160   16.190   21.617   6.2916   20.157   7.5823   24.843   11.274   84.248   19.623   88.072   25.758 -3.823647 32.38082 
1 1 1    3   30   34 o  140.945   15.841   56.153   9.4954   54.492   11.590   59.543   16.558  143.367   17.298  138.523   26.543 4.843933 31.68265 
1 1 1    3   30   35 o   86.896   14.324   21.527   5.7142   20.193   8.0343   22.894   8.1287   83.776   20.652   90.015   19.856 -6.238823 28.64865 
1 1 1    3   30   36 o  105.418   13.158   31.056   6.2667   25.302   8.7079   37.236   9.0254   92.826   20.610  118.010   16.364 -25.18409 26.31642 
1 1 1    3   30   37 o   86.326   14.600   22.515   5.8271   20.284   8.1824   24.811   8.3005   81.131   21.306   91.521   19.968 -10.39032 29.20054 
1 1 1    3   30   38 f  143.583   13.119   58.815   8.8014   58.544   12.546   59.077   12.350  142.936   18.782  144.230   18.322 -1.294205 26.23824 
1 1 1    3   30   39 o   48.254   13.715   5.7192   4.7326   5.8845   6.6658   5.5511   6.7203   48.538   19.411   47.970   19.381 0.5680695 27.43026 
1 1 1    3   30   40 o   56.472   13.291   8.5487   4.6344   15.900   6.7908   2.1403   6.3405   71.642   19.679   41.302   17.871 30.34009 26.58243 
1 1 1    3   30   41 f   55.674   14.590   9.5256   5.6725   1.0306   9.8211   13.778   6.9487   45.659   20.816   65.690   20.448 -20.03160 29.17917 
1 1 1    3   30   42 o   33.900   11.107  -2.0967   4.1837  -1.9553   5.9095  -2.2388   5.9238   34.051   15.750   33.749   15.666 0.3020287 22.21480 
1 1 1    3   30   43 o   40.142   12.788  -0.8569   4.8041   6.9606   8.3653  -4.7040   5.8683   49.604   20.968   30.679   14.645 18.92577 25.57582 
1 1 1    3   31    1 o   65.281   17.977   11.026   5.6590   11.026   5.6590   0.0000   0.0000   65.281   17.977  ?   ?       ?      ? 
1 1 1    3   31    2 o  174.539   17.003   82.561   12.443   86.528   15.313   74.851   21.348  186.092   17.608  162.986   29.093 23.10611 34.00641 
1 1 1    3   31    3 f  193.217   16.089   94.549   13.787   88.577   16.838  106.701   24.019  187.076   19.259  199.357   25.780 -12.28146 32.17886 
1 1 1    3   31    4 o  191.285   16.579   95.241   13.856   93.782   16.880   98.255   24.260  192.869   18.727  189.700   27.364 3.169037 33.15855 
1 1 1    3   31    5 o  269.148   31.145  242.492   37.830  212.415   53.427  272.732   53.572  243.351   48.677  294.945   38.864 -51.59424 62.28900 
1 1 1    3   31    6 o  138.749   13.946   47.711   8.4674   45.416   10.228   52.709   15.094  135.441   16.159  142.057   22.736 -6.615997 27.89282 
1 1 1    3   31    7 o  209.258   16.027  107.670   14.969   92.866   18.202  138.598   26.310  190.412   20.454  228.104   24.680 -37.69151 32.05456 
1 1 1    3   31    8 o   96.553   15.389   24.208   6.1750   23.827   7.1537   25.320   12.231   98.249   15.580   94.857   26.545 3.392204 30.77890 
1 1 1    3   31    9 o  217.711   21.098  140.917   18.427  156.987   22.697  109.849   31.559  248.260   19.562  187.162   37.388 61.09836 42.19658 
1 1 1    3   31   10 o  125.814   12.172   40.787   6.7429   50.463   9.3964   30.514   9.6819  143.637   13.998  107.992   19.917 35.64483 24.34403 
1 1 1    3   31   11 o  126.054   11.191   39.377   6.5921   38.606   9.2353   40.176   9.4124  124.795   15.835  127.314   15.819 -2.519447 22.38267 
1 1 1    3   31   12 o  151.590   24.457   61.615   17.327   61.615   17.327   0.0000   0.0000  151.590   24.457  ?   ?       ?      ? 
1 1 1    3   31   13 o   90.188   14.020   20.537   5.3969   24.389   9.8075   18.864   6.4636   94.713   22.492   85.663   16.745 9.050270 28.04057 
1 1 1    3   31   14 f   29.963   9.4369  -3.2865   2.7661   1.7246   4.4293  -6.4903   3.5416   38.323   15.642   21.602   10.562 16.72041 18.87375 
1 1 1    3   31   15 o   71.867   11.346   13.133   3.6608   14.351   5.7820   12.319   4.7294   74.316   17.014   69.419   15.014 4.897148 22.69191 
1 1 1    3   31   16 o  144.063   11.513   52.046   7.7190   56.041   10.781   47.844   11.056  150.275   15.351  137.850   17.162 12.42488 23.02577 
1 1 1    3   31   17 o  143.559   15.882   61.357   8.3261   42.401   16.225   68.133   9.7007  119.771   29.241  167.346   12.403 -47.57474 31.76306 
1 1 1    3   31   18 o  102.943   12.866   25.878   6.1899   0.0000   0.0000   25.878   6.1899  ?   ?   102.943   12.866      ?      ? 
1 1 1    3   31   19 o   73.808   11.920   18.304   4.8331  -3.9287   9.9029   25.256   5.5374   45.561   20.822  102.054   11.610 -56.49332 23.83986 
1 1 1    3   31   20 o   63.966   11.039   12.764   4.1229  -4.4080   8.2383   18.502   4.7622   40.677   18.738   87.255   11.678 -46.57756 22.07878 
1 1 1    3   31   21 o   54.221   13.876   4.8856   4.2553   12.657   8.1765   1.9989   4.9834   68.166   22.289   40.277   16.533 27.88839 27.75150 
1 1 1    3   31   22 o   65.168   15.800   10.612   6.0693   16.691   8.9722   5.4832   8.2409   76.655   23.120   53.681   21.542 22.97371 31.60026 
1 1 1    3   31   23 o   71.763   15.176   14.120   6.0706   5.9250   8.8202   21.495   8.3679   55.248   22.245   88.278   20.650 -33.03019 30.35254 
1 1 1    3   31   24 o  107.372   17.543   33.412   8.6374   30.950   12.380   35.747   12.057  102.477   25.851  112.268   23.723 -9.790367 35.08589 
1 1 1    3   31   25 o   75.722   13.577   17.065   5.3341   6.5396   9.1579   22.469   6.5622   56.813   22.740   94.631   14.838 -37.81876 27.15311 
1 1 1    3   31   26 o   71.073   13.934   14.611   5.2757   20.102   6.8045   6.3356   8.3533   87.077   17.330   55.069   21.823 32.00722 27.86736 
1 1 1    3   31   27 o   72.708   16.239   14.295   5.8846   11.983   7.1623   19.099   10.323   65.632   20.808   79.783   24.938 -14.15089 32.47862 
1 1 1    3   31   28 o  116.703   15.667   38.325   7.9923   36.909   9.9206   40.942   13.491  117.682   18.038  115.725   25.621 1.956833 31.33333 
1 1 1    3   31   29 o  195.137   16.786  105.190   14.593   88.897   17.700  139.777   25.788  176.933   21.405  213.341   25.864 -36.40796 33.57274 
1 1 1    3   31   30 o   70.925   14.880   14.524   5.2586   15.874   7.9496   13.474   7.0119   73.417   21.675   68.433   20.394 4.984314 29.76081 
1 1 1    3   31   31 o   42.196   12.047   2.6871   3.6274   1.3021   4.6812   4.7687   5.7388   37.317   15.725   47.074   18.255 -9.757259 24.09382 
1 1 1    3   31   32 o   50.007   13.337   6.0746   4.2317   5.9499   5.6470   6.2345   6.3907   49.252   18.337   50.762   19.372 -1.510574 26.67462 
1 1 1    3   31   33 o  108.137   13.773   34.200   6.6270   42.115   9.1724   25.556   9.5852  125.736   15.609   90.539   22.696 35.19730 27.54583 
1 1 1    3   31   34 o   66.067   12.546   12.287   4.8704   22.452   6.8113   1.6521   6.9669   89.612   16.883   42.521   18.563 47.09076 25.09196 
1 1 1    3   31   35 o  204.731   16.108  130.876   15.187  110.367   21.311  152.041   21.648  183.482   24.852  225.980   20.498 -42.49797 32.21517 
1 1 1    3   31   36 o   52.777   14.374   4.2146   5.2529   16.642   9.0728  -2.0519   6.4425   69.626   23.500   35.929   16.558 33.69666 28.74709 
1 1 1    3   31   37 o   68.752   14.330   14.940   4.9142   15.227   6.6224   14.588   7.3311   70.228   19.490   67.275   21.014 2.953514 28.66037 
1 1 1    3   31   38 o   53.808   13.920   8.5763   4.6459   10.649   6.5207   6.4387   6.6211   58.446   19.921   49.170   19.447 9.276150 27.83972 
1 1 1    3   31   39 o   84.706   14.241   23.287   5.7129   16.807   8.1296   29.609   8.0298   69.584   22.180   99.827   17.867 -30.24381 28.48130 
1 1 1    3   31   40 f   54.030   14.259   9.6271   5.3266   3.1473   8.9022   13.241   6.6480   45.145   20.272   62.915   20.058 -17.77013 28.51766 
1 1 1    3   32    0 o   34.127   15.412   1.3009   7.7454   1.3009   7.7454   1.3009   7.7454   34.127   21.796   34.127   21.796 -0.000000 0.000000 
1 1 1    3   32    1 o  144.184   19.243   60.162   12.435   38.782   17.659   81.192   17.514  112.112   32.080  176.256   21.262 -64.14369 38.48650 
1 1 1    3   32    2 o  167.041   18.555   76.983   14.483   76.190   20.531   77.768   20.434  165.959   26.471  168.123   26.007 -2.163315 37.10904 
1 1 1    3   32    3 o  144.967   18.298   58.868   11.858   74.887   16.878   43.252   16.664  169.170   21.347  120.765   29.726 48.40436 36.59684 
1 1 1    3   32    4 o  125.276   25.075   43.656   14.169   43.656   14.169   0.0000   0.0000  125.276   25.075  ?   ?       ?      ? 
1 1 1    3   32    5 o  114.765   17.192   36.568   8.9522   30.635   12.558   42.699   12.766  103.787   25.957  125.743   22.551 -21.95631 34.38467 
1 1 1    3   32    6 o  172.040   21.174   88.826   15.861  126.524   22.493   51.539   22.370  219.022   21.974  125.059   36.200 93.96310 42.34797 
1 1 1    3   32    7 o  143.649   12.969   49.719   8.3567   63.271   14.498   42.976   10.226  156.506   19.822  130.792   16.730 25.71390 25.93833 
1 1 1    3   32    8 o   70.945   14.349   13.544   4.8652   12.555   8.4335   14.038   5.9562   68.727   22.645   73.163   17.628 -4.435349 28.69728 
1 1 1    3   32    9 o   64.596   16.120   9.9956   6.2298   5.8768   8.4940   14.791   9.1648   55.566   22.011   73.627   23.558 -18.06087 32.24070 
1 1 1    3   32   10 o  195.851   18.355  113.940   12.924   88.826   25.766  122.382   14.939  169.102   33.785  222.600   14.360 -53.49785 36.71061 
1 1 1    3   32   11 o   80.067   13.844   15.805   4.6297   20.396   9.2308   14.262   5.3514   85.827   22.674   74.308   15.891 11.51992 27.68777 
1 1 1    3   32   12 o  155.191   19.957   70.317   13.926   85.255   19.638   55.206   19.751  177.155   23.720  133.227   32.101 43.92728 39.91368 
1 1 1    3   32   13 o  103.137   15.072   30.247   6.8154   23.369   11.384   34.090   8.5086   89.688   25.785  116.587   15.616 -26.89843 30.14499 
1 1 1    3   32   14 o   98.036   17.406   27.176   7.9982   21.871   10.704   33.883   12.036   86.844   25.012  109.228   24.213 -22.38457 34.81213 
1 1 1    3   32   15 o  173.123   16.357   81.933   12.428   83.231   21.373   81.269   15.276  169.461   26.987  176.785   18.490 -7.324432 32.71306 
1 1 1    3   32   16 o   90.716   24.606   24.003   10.696   0.0000   0.0000   24.003   10.696  ?   ?    90.716   24.606      ?      ? 
1 1 1    3   32   17 o   65.290   19.141   11.526   6.2190   0.0000   0.0000   11.526   6.2190  ?   ?    65.290   19.141      ?      ? 
1 1 1    3   32   18 o   26.920   13.099  -8.4583   5.2625   0.0000   0.0000  -8.4583   5.2625  ?   ?    26.920   13.099      ?      ? 
1 1 1    3   32   19 o  181.924   16.274   90.140   13.046   93.069   22.384   88.634   16.054  179.441   26.691  184.406   18.628 -4.965027 32.54878 
1 1 1    3   32   20 o   92.101   14.568   27.661   6.3861   35.384   7.6616   10.080   11.559  119.275   13.744   64.927   25.690 54.34792 29.13549 
1 1 1    3   32   21 o   78.820   12.228   16.624   4.4042   20.181   6.2852   13.193   6.1733   88.006   15.865   69.633   18.612 18.37244 24.45646 
1 1 1    3   32   22 o  144.152   11.797   53.889   7.8529   44.652   10.982   63.555   11.234  130.294   18.035  158.010   15.213 -27.71587 23.59386 
1 1 1    3   32   23 o   59.223   11.743   8.7838   3.9109   15.949   5.6302   2.1027   5.4366   77.365   16.096   41.081   17.103 36.28354 23.48574 
1 1 1    3   32   24 f   66.243   11.879   12.498   3.7689   8.7030   5.9025   15.110   4.8972   56.537   18.955   75.949   14.322 -19.41200 23.75746 
1 1 1    3   32   25 o  112.428   9.9317   31.282   5.1359   38.753   8.1733   26.408   6.6021  123.063   14.211  101.792   13.878 21.27041 19.86333 
1 1 1    3   32   26 o  175.419   13.231   83.205   10.838   79.972   15.344   86.424   15.312  171.456   19.149  179.382   18.264 -7.926682 26.46222 
1 1 1    3   32   27 o  120.208   10.315   36.734   5.7566   39.236   8.7524   34.827   7.6423  123.354   15.182  117.062   13.969 6.291786 20.63072 
1 1 1    3   32   28 o   97.191   12.293   25.033   5.4046   20.332   7.0847   31.576   8.3588   85.252   18.327  109.130   16.389 -23.87814 24.58606 
1 1 1    3   32   29 o   46.699   12.671   4.9493   3.8394   3.6235   4.9883   6.8763   6.0139   42.315   16.834   51.083   18.942 -8.768745 25.34155 
1 1 1    3   32   30 o  176.527   16.779   98.163   12.624  126.470   17.706   68.901   18.003  212.855   17.799  140.200   28.448 72.65475 33.55773 
1 1 1    3   32   31 o   52.384   12.971   7.7654   4.0110   9.4161   5.3549   5.6554   6.0542   56.934   17.986   47.833   18.694 9.100323 25.94131 
1 1 1    3   32   32 o   52.884   14.583   4.3889   5.2295  -1.0028   6.3043   16.284   9.3637   36.950   16.780   68.817   23.856 -31.86686 29.16647 
1 1 1    3   32   33 o   40.698   11.998   0.9158   4.0566  -3.7847   5.3671   7.1792   6.1954   30.761   14.482   50.635   19.134 -19.87433 23.99658 
1 1 1    3   32   34 o   74.854   13.936   17.016   5.0229   12.729   6.7276   22.416   7.5504   63.557   20.168   86.152   19.239 -22.59519 27.87271 
1 1 1    3   32   35 o   86.992   15.300   26.744   6.4600   30.426   7.8235   18.853   11.452  104.456   16.026   69.528   26.069 34.92856 30.60076 
1 1 1    3   32   36 o   72.008   14.418   17.273   5.1670   19.868   7.0993   14.349   7.5347   79.402   19.316   64.615   21.410 14.78649 28.83538 
1 1 1    3   32   37 o   34.217   11.093  -1.3861   3.9266  -3.0258   5.0641   1.0860   6.2179   30.068   14.128   38.367   17.105 -8.299425 22.18545 
1 1 1    3   33    0 o  123.131   12.714   39.329   9.7023   39.329   9.7023   39.329   9.7023  123.131   17.981  123.131   17.981 -0.000000 0.000000 
1 1 1    3   33    1 o  221.497   16.890  137.853   16.898  103.153   23.861  172.760   23.932  187.936   27.167  255.059   20.077 -67.12370 33.78074 
1 1 1    3   33    2 o  189.999   13.703   95.114   12.164   96.639   17.104   93.554   17.303  191.876   19.074  188.122   19.681 3.753555 27.40670 
1 1 1    3   33    3 o  208.165   15.032  117.093   14.529  129.727   20.475  104.276   20.621  221.359   19.791  194.972   22.631 26.38684 30.06428 
1 1 1    3   33    4 o  132.665   13.243   46.995   7.5099   29.494   10.387   66.164   10.870  102.619   22.296  162.710   14.295 -60.09140 26.48501 
1 1 1    3   33    5 f  254.731   22.896  201.653   25.500  214.378   44.017  195.226   31.284  248.116   37.960  261.345   25.613 -13.22928 45.79297 
1 1 1    3   33    6 o  230.701   32.959  214.452   34.309  207.460   48.551  221.427   48.489  224.086   47.817  237.315   45.374 -13.22832 65.91834 
1 1 1    3   33    7 o  199.595   23.652  127.889   21.158  104.433   29.598  152.400   30.257  173.178   37.645  226.012   28.645 -52.83441 47.30404 
1 1 1    3   33    8 o  131.949   25.584   50.352   15.207   50.352   15.207   0.0000   0.0000  131.949   25.584  ?   ?       ?      ? 
1 1 1    3   33    9 o  129.705   18.260   48.742   10.831   53.280   15.023   43.830   15.630  139.175   23.096  120.236   28.288 18.93900 36.51937 
1 1 1    3   33   10 o  101.819   15.655   31.751   7.0132   37.151   8.4904   20.152   12.443  121.666   14.932   81.971   27.521 39.69424 31.31070 
1 1 1    3   33   11 o   91.278   14.941   24.134   6.0532   26.513   7.2669   18.741   10.940  102.653   15.147   79.902   25.757 22.75131 29.88110 
1 1 1    3   33   12 o   78.017   14.170   18.358   5.7605   7.1609   10.045   23.844   7.0315   58.906   23.732   97.129   15.490 -38.22296 28.34032 
1 1 1    3   33   13 o  164.814   19.503   86.841   12.783   60.829   22.086   99.943   15.675  132.583   35.095  197.045   17.022 -64.46257 39.00522 
1 1 1    3   33   14 o   47.989   13.658   2.9169   4.0112   8.1470   8.5706   1.4500   4.5390   58.420   22.401   37.557   15.631 20.86325 27.31525 
1 1 1    3   33   15 o   62.180   12.464   6.6909   4.1988   20.860   7.5855   0.4318   5.0416   87.284   19.124   37.076   15.989 50.20844 24.92767 
1 1 1    3   33   16 o  108.152   15.498   36.071   7.1472   24.889   12.443   41.576   8.7311   88.358   27.341  127.946   14.602 -39.58781 30.99533 
1 1 1    3   33   17 o   50.593   11.991   6.6278   3.4459   4.3450   5.1960   8.4203   4.6041   45.211   17.415   55.975   16.487 -10.76332 23.98142 
1 1 1    3   33   18 o   39.483   11.882   1.4833   3.7739  -1.3688   6.7351   2.7887   4.5563   38.890   17.532   40.077   16.041 -1.187183 23.76317 
1 1 1    3   33   19 o  108.689   14.352   29.184   5.9799   41.911   13.181   25.886   6.7102  116.857   24.897  100.521   14.284 16.33623 28.70374 
1 1 1    3   33   20 o   44.153   13.300   2.5300   4.4737  -2.5140   9.5768   3.9378   5.0597   44.434   20.369   43.872   17.105 0.5617943 26.59900 
1 1 1    3   33   21 o   83.928   11.348   18.575   4.2576   20.318   6.5128   17.275   5.6263   87.053   16.614   80.803   15.462 6.249390 22.69616 
1 1 1    3   33   22 o   59.005   12.079   9.7996   3.6264   6.7531   5.8132   11.741   4.6400   51.676   18.710   66.333   15.282 -14.65723 24.15795 
1 1 1    3   33   23 o   65.076   12.014   12.223   3.7274   9.0989   6.1403   14.046   4.6904   57.204   19.333   72.948   14.269 -15.74406 24.02814 
1 1 1    3   33   24 o   44.769   12.666   4.2208   3.6864   2.6887   7.6364   4.6863   4.2094   45.791   19.713   43.747   15.909 2.043846 25.33187 
1 1 1    3   33   25 o   62.368   13.480   11.481   4.2942   11.178   6.2132   11.759   5.9417   61.448   19.369   63.287   18.753 -1.838551 26.96006 
1 1 1    3   33   26 o   42.701   11.666   3.8655   3.3222   5.9477   5.0501   2.2770   4.4110   47.633   17.410   37.768   15.535 9.865410 23.33270 
1 1 1    3   33   27 o   56.953   11.477   10.409   4.1134  -3.3046   8.0619   15.236   4.7828   38.756   18.085   75.150   14.137 -36.39405 22.95492 
1 1 1    3   33   28 o  116.974   12.685   39.215   6.5984   30.407   9.1793   48.633   9.4918   99.917   20.349  134.032   15.153 -34.11501 25.37090 
1 1 1    3   33   29 o   31.955   9.9571  -2.2775   3.4168   3.0526   4.2534 -11.9747   5.7371   38.791   15.508   25.120   12.493 13.67173 19.91428 
1 1 1    3   33   30 o   40.798   11.662   2.6148   3.7675   6.2994   5.0279  -2.1028   5.6893   47.887   17.391   33.708   15.543 14.17939 23.32462 
1 1 1    3   33   31 o  106.145   13.740   34.593   6.4821   39.974   8.7265   27.969   9.6821  120.449   15.502   91.840   22.690 28.60903 27.47999 
1 1 1    3   33   32 o   84.988   13.489   22.275   5.1907   21.785   6.8915   22.916   7.8912   85.241   17.870   84.735   20.210 0.5059280 26.97782 
1 1 1    3   33   33 o   87.521   13.847   24.614   5.5380   27.369   7.6412   21.565   8.0376   95.134   17.842   79.908   21.180 15.22572 27.69367 
1 1 1    3   34    0 o   37.846   15.461   4.9759   6.2600   4.9759   6.2600   4.9759   6.2600   37.846   21.865   37.846   21.865 -0.000000 0.000000 
1 1 1    3   34    1 o   99.581   15.294   26.068   6.6833   38.022   11.574   20.089   8.1859  115.215   22.302   83.947   20.936 31.26729 30.58870 
1 1 1    3   34    2 o  106.925   16.358   32.619   7.6484   36.245   12.960   30.681   9.4742  108.750   25.875  105.101   20.019 3.649269 32.71512 
1 1 1    3   34    3 o   78.690   12.258   17.667   4.9072   27.958   6.7382   6.0454   7.1607  105.305   13.691   52.074   20.337 53.23104 24.51595 
1 1 1    3   34    4 o  111.499   11.570   32.372   6.0286   31.854   8.4947   32.897   8.5571  110.545   16.442  112.453   16.282 -1.907837 23.14001 
1 1 1    3   34    5 o   93.549   13.054   23.845   5.4936   21.568   7.4606   26.543   8.1194   88.449   18.636   98.650   18.284 -10.20051 26.10805 
1 1 1    3   34    6 o  110.670   15.517   34.531   7.5224   37.183   12.769   33.122   9.3095  109.969   25.362  111.371   17.886 -1.401543 31.03450 
1 1 1    3   34    7 o   71.143   15.980   14.515   5.8656   18.241   9.4414   12.174   7.4855   77.250   23.801   65.036   21.330 12.21375 31.95991 
1 1 1    3   34    8 o   81.746   17.923   21.247   7.6009   23.083   10.521   19.242   10.993   85.885   24.816   77.608   25.868 8.277718 35.84649 
1 1 1    3   34    9 o  121.072   19.052   46.640   10.532   40.135   14.549   53.802   15.267  110.227   28.144  131.917   25.687 -21.68956 38.10387 
1 1 1    3   34   10 o   41.857   19.425  -3.9569   9.0988   0.0000   0.0000  -3.9569   9.0988  ?   ?    41.857   19.425      ?      ? 
1 1 1    3   34   11 o   91.991   18.091   27.528   8.4482   34.596   11.532   19.340   12.411  107.269   23.641   76.713   27.392 30.55626 36.18270 
1 1 1    3   34   12 o   54.194   11.858   8.1436   3.5030   4.2827   5.7591   10.411   4.4133   45.988   18.153   62.400   15.260 -16.41221 23.71528 
1 1 1    3   34   13 o   35.592   10.882  -0.0367   3.4274  -2.6381   5.0404   2.2008   4.6745   32.022   14.716   39.162   16.036 -7.140022 21.76488 
1 1 1    3   34   14 o  186.249   14.357   96.192   12.368  109.351   17.457   82.932   17.525  201.489   18.539  171.009   21.927 30.47958 28.71404 
1 1 1    3   34   15 o   44.109   12.743   2.7122   4.4265  -2.4343   7.1329   5.9355   5.6450   38.704   17.682   49.513   18.354 -10.80842 25.48523 
1 1 1    3   34   16 o  136.235   12.518   52.610   7.1232   39.782   11.408   60.807   9.1193  116.998   21.662  155.472   12.551 -38.47320 25.03520 
1 1 1    3   34   17 o   80.886   12.124   17.490   4.2961   20.655   7.2390   15.769   5.3376   85.327   18.672   76.445   15.471 8.882675 24.24860 
1 1 1    3   34   18 o   84.717   12.212   20.262   4.5846   18.324   7.4769   21.430   5.8036   78.394   20.261   91.040   13.640 -12.64588 24.42480 
1 1 1    3   34   19 o   42.567   11.854   3.6548   3.3807   5.2720   5.5074   2.6769   4.2826   46.656   17.941   38.477   15.498 8.178913 23.70797 
1 1 1    3   34   20 o   97.204   12.188   26.351   5.3813   30.231   7.7246   22.692   7.5009  106.021   15.590   88.388   18.740 17.63287 24.37684 
1 1 1    3   34   21 o  148.459   15.400   63.382   10.245   82.040   17.790   54.124   12.532  160.700   23.688  136.218   19.685 24.48138 30.79926 
1 1 1    3   34   22 o   73.563   12.545   15.979   4.3963   10.969   6.2289   20.953   6.2059   60.214   19.438   86.913   15.863 -26.69963 25.08919 
1 1 1    3   34   23 o   38.212   11.411   2.1503   3.3890  -0.8961   6.5384   3.2694   3.9629   37.593   17.079   38.831   15.139 -1.237610 22.82242 
1 1 1    3   34   24 f   55.547   11.731   9.2889   3.5359   4.9924   5.6560   12.045   4.5304   45.430   17.972   65.663   15.081 -20.23291 23.46105 
1 1 1    3   34   25 o   94.688   15.219   32.172   6.8149   19.041   11.939   38.519   8.3001   70.125   26.546  119.251   14.893 -49.12659 30.43792 
1 1 1    3   34   26 o   38.649   12.097   0.4239   4.1222  -1.0479   5.1100   3.1663   6.9751   33.370   15.136   43.928   18.875 -10.55781 24.19421 
1 1 1    3   34   27 o   66.652   12.116   13.267   3.7653   12.548   5.9598   13.745   4.8576   63.643   18.761   69.661   15.336 -6.018360 24.23149 
1 1 1    3   34   28 o   88.526   12.376   23.384   4.9782   24.507   6.6893   21.991   7.4529   93.547   15.301   83.506   19.458 10.04126 24.75297 
1 1 1    3   34   29 o   36.767   11.173   1.8638   3.4194   2.2859   4.3791   1.2045   5.4734   36.537   15.292   36.996   16.294 -0.4590836 22.34553 
1 1 1    3   35    0 o   37.599   16.557   3.8722   8.3343   3.8722   8.3343   3.8722   8.3343   37.599   23.415   37.599   23.415 -0.000000 0.000000 
1 1 1    3   35    1 o  138.016   21.781   66.727   13.703   70.206   19.087   63.028   19.683  144.428   29.281  131.604   32.254 12.82408 43.56220 
1 1 1    3   35    2 o   60.095   14.211   10.527   5.2903   2.2193   9.0063   14.904   6.5368   48.103   21.050   72.086   19.098 -23.98294 28.42215 
1 1 1    3   35    3 o   42.924   13.060   1.9320   4.5758   1.1118   7.8425   2.3554   5.6343   44.385   19.527   41.462   17.349 2.922691 26.12039 
1 1 1    3   35    4 o   64.312   19.151   11.923   6.1853   0.0000   0.0000   11.923   6.1853  ?   ?    64.312   19.151      ?      ? 
1 1 1    3   35    5 o  111.362   15.896   35.010   7.7108   47.664   13.246   28.525   9.4831  124.690   23.595   98.033   21.307 26.65747 31.79125 
1 1 1    3   35    6 o   92.845   16.206   26.440   6.8138   27.886   11.286   25.612   8.5472   92.004   25.410   93.687   20.122 -1.682907 32.41187 
1 1 1    3   35    7 o   57.291   13.664   9.1153   4.3523   7.0251   5.7894   11.832   6.6000   51.333   18.659   63.250   19.966 -11.91740 27.32747 
1 1 1    3   35    8 o   59.961   11.689   10.173   5.1312   19.686   6.0609 -13.8982   9.6410   84.917   15.855   35.006   17.179 49.91097 23.37787 
1 1 1    3   35    9 o   72.421   13.589   15.973   4.8922   20.243   6.5908   10.734   7.3009   84.938   17.193   59.904   21.048 25.03356 27.17754 
1 1 1    3   35   10 o   57.387   13.123   9.6900   4.3432   13.047   5.6437   4.8138   6.8017   67.325   17.702   47.449   19.377 19.87588 26.24539 
1 1 1    3   35   11 f   64.072   16.221   13.080   6.1523   13.206   8.3342   12.930   9.1201   64.533   22.499   63.610   23.373 0.9231682 32.44228 
1 1 1    3   35   12 o  126.140   17.630   55.890   9.4372   63.889   11.597   40.214   16.236  153.224   16.195   99.055   31.321 54.16946 35.26031 
1 1 1    3   35   13 o   96.833   17.753   32.753   8.6177   43.524   12.080   21.594   12.297  117.798   22.767   75.869   27.247 41.92923 35.50684 
1 1 1    3   35   14 o   60.368   12.945   10.264   4.1895   15.632   6.2668   5.9262   5.6335   72.838   18.403   47.898   18.210 24.94010 25.88965 
1 1 1    3   35   15 f   80.226   15.249   19.559   5.6023   23.947   9.6807   17.349   6.8694   84.622   23.592   75.831   19.327 8.791397 30.49795 
1 1 1    3   35   16 o  116.896   12.958   39.961   6.7055   32.150   9.7236   47.044   9.2593  101.838   21.123  131.954   15.015 -30.11579 25.91564 
1 1 1    3   35   17 o   55.682   13.610   9.2957   4.3013   9.7207   6.2973   8.9240   5.8890   56.595   19.567   54.769   18.923 1.826427 27.21994 
1 1 1    3   35   18 o   58.120   12.411   9.7538   4.2599   2.6621   6.2083   16.063   5.8558   41.897   17.899   74.343   17.196 -32.44621 24.82106 
1 1 1    3   35   19 f  127.471   10.683   42.590   6.2391   53.201   10.115   36.074   7.9266  139.301   15.537  115.642   14.667 23.65955 21.36626 
1 1 1    3   35   20 o   85.656   11.566   19.981   4.3480   24.832   7.2072   17.205   5.4520   92.839   17.246   78.473   15.416 14.36627 23.13141 
1 1 1    3   35   21 o   56.090   10.270   7.4451   3.3992   17.305   5.1494  -0.1694   4.5252   79.323   14.422   32.857   14.624 46.46659 20.53922 
1 1 1    3   35   22 o   41.087   12.209   1.8422   3.5276   7.4736   7.0260  -0.0558   4.0790   50.707   20.040   31.466   13.951 19.24051 24.41778 
1 1 1    3   35   23 f   84.432   12.357   21.484   4.8886   12.650   6.6922   31.592   7.1585   61.661   20.165  107.203   14.288 -45.54162 24.71392 
1 1 1    3   35   24 o   29.994   9.6164  -1.9819   3.0841  -5.7389   4.4030   1.6367   4.3212   24.922   12.093   35.065   14.955 -10.14353 19.23272 
1 1 1    3   36    0 o   26.750   12.429   0.1355   5.5477   0.1355   5.5477   0.1355   5.5477   26.750   17.577   26.750   17.577 -0.000000 0.000000 
1 1 1    3   36    1 o  182.514   14.718  101.635   12.524  106.592   17.585   96.532   17.841  188.811   19.929  176.218   21.663 12.59288 29.43561 
1 1 1    3   36    2 o   60.967   16.015   11.442   5.7110   9.9439   6.8242   14.944   10.433   56.954   20.314   64.979   24.763 -8.024681 32.02913 
1 1 1    3   36    3 o  104.014   29.387   42.748   14.916   42.748   14.916   0.0000   0.0000  104.014   29.387  ?   ?       ?      ? 
1 1 1    3   36    4 o   58.402   15.342   10.653   5.4453   10.525   6.7018   10.903   9.3410   58.309   20.184   58.495   23.110 -0.1865273 30.68339 
1 1 1    3   36    5 o  131.644   17.089   54.732   9.5514   50.186   11.506   64.812   17.131  131.014   18.791  132.274   28.549 -1.260468 34.17838 
1 1 1    3   36    6 o   42.275   12.829   1.9464   4.9372   5.8928   5.7146  -9.6709   9.8048   47.432   18.266   37.117   18.018 10.31521 25.65722 
1 1 1    3   36    7 o   63.677   15.765   13.396   5.6318   13.566   6.7012   12.988   10.392   65.749   20.015   61.606   24.364 4.142498 31.53089 
1 1 1    3   36    8 o  104.392   16.666   36.418   7.6921   36.912   9.3574   35.389   13.508  113.664   17.615   95.119   28.297 18.54571 33.33165 
1 1 1    3   36    9 o   63.005   22.285   13.165   8.1959   13.165   8.1959   0.0000   0.0000   63.005   22.285  ?   ?       ?      ? 
1 1 1    3   36   10 o   38.636   12.301  -0.2742   4.2300  -1.5042   5.0220   2.7295   7.8478   32.495   14.842   44.777   19.620 -12.28191 24.60117 
1 1 1    3   36   11 o  103.663   16.162   35.434   7.2868   36.052   8.7930   34.080   13.020  113.387   16.593   93.939   27.740 19.44836 32.32399 
1 1 1    3   36   12 o   93.160   18.387   31.784   8.4175   26.425   11.606   37.732   12.227   83.096   26.502  103.223   25.496 -20.12749 36.77489 
1 1 1    3   36   13 o   48.565   13.186   5.0314   4.0296   2.2427   4.8485   11.260   7.2460   38.096   16.025   59.035   20.945 -20.93877 26.37289 
1 1 1    3   36   14 o   58.695   22.651   11.710   8.8025   11.710   8.8025   0.0000   0.0000   58.695   22.651  ?   ?       ?      ? 
1 1 1    3   36   15 o  104.839   16.141   35.944   7.4664   31.811   9.3475   43.228   12.410   99.521   20.769  110.157   24.714 -10.63579 32.28170 
1 1 1    3   36   16 o  114.257   17.007   44.239   8.5175   38.784   10.605   54.152   14.296  108.180   21.731  120.334   26.166 -12.15438 34.01307 
1 1 1    3   36   17 o   82.218   15.530   23.538   6.0301   23.806   7.6723   23.105   9.7533   86.557   19.441   77.880   24.223 8.677010 31.06017 
1 1 1    3   37    0 o   24.864   11.696  -0.3278   5.1615  -0.3278   5.1615  -0.3278   5.1615   24.864   16.541   24.864   16.541 -0.000000 0.000000 
1 1 1    3   37    1 o   58.717   13.847   11.301   4.4520   10.449   6.1035   12.269   6.5081   56.707   19.274   60.728   19.887 -4.021637 27.69433 
1 1 1    3   37    2 o   67.722   13.760   15.257   4.9264   20.636   6.8594   9.5274   7.0797   81.537   18.434   53.908   20.434 27.62911 27.51961 
1 1 1    3   37    3 o   63.639   16.002   13.677   5.5898   19.394   10.256   11.262   6.6671   69.260   24.882   58.017   20.129 11.24283 32.00441 
1 1 1    3   37    4 o   70.536   15.761   18.235   5.8400   16.857   10.059   18.935   7.1727   64.996   24.419   76.076   19.934 -11.08054 31.52239 
1 1 1    3   37    5 o   77.766   13.945   19.881   5.1473   16.560   7.4681   22.885   7.1042   69.260   21.139   86.272   18.193 -17.01198 27.88948 
1 1 1    4    0    0 f  108.701   8.7838   28.687   6.0976   28.687   6.0976   28.687   6.0976  108.701   12.422  108.701   12.422 -0.000000 0.000000 
1 1 1    4    0    1 o  1061.41   40.152  2704.55  279.835  2704.55  279.835  2704.55  279.835  1061.41   56.784  1061.41   56.784 -0.000000 0.000000 
1 1 1    4    0    2 o  906.636   34.258  1963.18  203.946  1963.18  203.946  1963.18  203.946  906.636   48.449  906.636   48.449 -0.000000 0.000000 
1 1 1    4    0    3 o  916.185   34.477  2004.85  207.420  2004.85  207.420  2004.85  207.420  916.185   48.758  916.185   48.758 -0.000000 0.000000 
1 1 1    4    0    4 o  119.085   6.3747   33.720   4.9512   33.720   4.9512   33.720   4.9512  119.085   9.0152  119.085   9.0152 -0.000000 0.000000 
1 1 1    4    0    5 o  811.464   34.492  1577.26  183.460  1577.26  183.460  1577.26  183.460  811.464   48.780  811.464   48.780 -0.000000 0.000000 
1 1 1    4    0    6 o  1352.78   60.993  4530.79  540.251  4530.79  540.251  4530.79  540.251  1352.78   86.257  1352.78   86.257 -0.000000 0.000000 
1 1 1    4    0    7 o  255.539   22.443  160.500   36.329  160.500   36.329  160.500   36.329  255.539   31.739  255.539   31.739 -0.000000 0.000000 
1 1 1    4    0    8 o  580.472   28.932  808.837  109.731  808.837  109.731  808.837  109.731  580.472   40.916  580.472   40.916 -0.000000 0.000000 
1 1 1    4    0    9 o  695.811   38.213  1178.00  173.298  1178.00  173.298  1178.00  173.298  695.811   54.042  695.811   54.042 -0.000000 0.000000 
1 1 1    4    0   10 o  576.592   31.699  804.850  119.121  804.850  119.121  804.850  119.121  576.592   44.829  576.592   44.829 -0.000000 0.000000 
1 1 1    4    0   11 o  656.700   55.709  1111.55  232.588  1111.55  232.588  1111.55  232.588  656.700   78.785  656.700   78.785 -0.000000 0.000000 
1 1 1    4    0   12 o  175.861   17.329   76.832   19.023   76.832   19.023   76.832   19.023  175.861   24.506  175.861   24.506 -0.000000 0.000000 
1 1 1    4    0   14 o   16.059   7.4438  -0.3136   1.9722  -0.3136   1.9722  -0.3136   1.9722   16.059   10.527   16.059   10.527 -0.000000 0.000000 
1 1 1    4    0   15 f   27.694   9.6848   2.6424   2.1309   2.6424   2.1309   2.6424   2.1309   27.694   13.696   27.694   13.696 -0.000000 0.000000 
1 1 1    4    0   16 o   45.954   10.276   6.2244   2.7444   6.2244   2.7444   6.2244   2.7444   45.954   14.532   45.954   14.532 -0.000000 0.000000 
1 1 1    4    0   17 o  114.246   9.4951   31.811   6.9102   31.811   6.9102   31.811   6.9102  114.246   13.428  114.246   13.428 -0.000000 0.000000 
1 1 1    4    0   18 o  488.905   26.500  579.857   84.474  579.857   84.474  579.857   84.474  488.905   37.477  488.905   37.477 -0.000000 0.000000 
1 1 1    4    0   19 o  160.631   16.711   64.606   16.615   64.606   16.615   64.606   16.615  160.631   23.633  160.631   23.633 -0.000000 0.000000 
1 1 1    4    0   20 o   28.613   10.375   2.8063   2.4918   2.8063   2.4918   2.8063   2.4918   28.613   14.672   28.613   14.672 -0.000000 0.000000 
1 1 1    4    0   21 o  344.934   19.232  285.776   43.218  285.776   43.218  285.776   43.218  344.934   27.198  344.934   27.198 -0.000000 0.000000 
1 1 1    4    0   22 o  152.522   10.721   56.108   10.562   56.108   10.562   56.108   10.562  152.522   15.162  152.522   15.162 -0.000000 0.000000 
1 1 1    4    0   23 f   26.940   10.485   2.3478   2.7027   2.3478   2.7027   2.3478   2.7027   26.940   14.828   26.940   14.828 -0.000000 0.000000 
1 1 1    4    0   24 o  167.960   11.347   67.836   12.332   67.836   12.332   67.836   12.332  167.960   16.047  167.960   16.047 -0.000000 0.000000 
1 1 1    4    0   25 o  391.630   21.892  367.414   55.851  367.414   55.851  367.414   55.851  391.630   30.960  391.630   30.960 -0.000000 0.000000 
1 1 1    4    0   26 o  572.944   31.566  791.096  117.864  791.096  117.864  791.096  117.864  572.944   44.641  572.944   44.641 -0.000000 0.000000 
1 1 1    4    0   27 o  296.307   16.967  209.959   32.728  209.959   32.728  209.959   32.728  296.307   23.996  296.307   23.996 -0.000000 0.000000 
1 1 1    4    0   28 o  1117.17   47.944  3040.97  351.020  3040.97  351.020  3040.97  351.020  1117.17   67.803  1117.17   67.803 -0.000000 0.000000 
1 1 1    4    0   29 o  378.621   20.903  343.116   51.574  343.116   51.574  343.116   51.574  378.621   29.561  378.621   29.561 -0.000000 0.000000 
1 1 1    4    0   30 o  233.598   21.181  134.422   31.229  134.422   31.229  134.422   31.229  233.598   29.955  233.598   29.955 -0.000000 0.000000 
1 1 1    4    0   31 o  115.106   10.864   32.627   7.8524   32.627   7.8524   32.627   7.8524  115.106   15.364  115.106   15.364 -0.000000 0.000000 
1 1 1    4    0   32 o  688.495   36.656  1154.02  164.631  1154.02  164.631  1154.02  164.631  688.495   51.840  688.495   51.840 -0.000000 0.000000 
1 1 1    4    0   33 o  238.048   11.670  134.680   18.159  134.680   18.159  134.680   18.159  238.048   16.504  238.048   16.504 -0.000000 0.000000 
1 1 1    4    0   34 o  147.338   9.7946   52.161   9.3443   52.161   9.3443   52.161   9.3443  147.338   13.852  147.338   13.852 -0.000000 0.000000 
1 1 1    4    0   35 o  214.451   10.833  109.389   15.174  109.389   15.174  109.389   15.174  214.451   15.320  214.451   15.320 -0.000000 0.000000 
1 1 1    4    0   36 o   79.886   12.977   17.116   5.9662   17.116   5.9662   17.116   5.9662   79.886   18.353   79.886   18.353 -0.000000 0.000000 
1 1 1    4    0   37 o  200.401   10.886   95.793   14.223   95.793   14.223   95.793   14.223  200.401   15.396  200.401   15.396 -0.000000 0.000000 
1 1 1    4    0   38 o  207.348   13.478  103.474   18.112  103.474   18.112  103.474   18.112  207.348   19.061  207.348   19.061 -0.000000 0.000000 
1 1 1    4    0   39 o   53.506   17.314   9.8080   6.6765   9.8080   6.6765   9.8080   6.6765   53.506   24.485   53.506   24.485 -0.000000 0.000000 
1 1 1    4    0   40 o   47.554   17.157   7.8476   6.7947   7.8476   6.7947   7.8476   6.7947   47.554   24.263   47.554   24.263 -0.000000 0.000000 
1 1 1    4    0   41 o  145.591   10.026   51.159   9.4378   51.159   9.4378   51.159   9.4378  145.591   14.179  145.591   14.179 -0.000000 0.000000 
1 1 1    4    0   42 o  104.646   10.994   27.367   7.1102   27.367   7.1102   27.367   7.1102  104.646   15.548  104.646   15.548 -0.000000 0.000000 
1 1 1    4    0   43 o   36.076   14.176   4.2045   4.9939   4.2045   4.9939   4.2045   4.9939   36.076   20.048   36.076   20.048 -0.000000 0.000000 
1 1 1    4    0   44 o   48.442   15.572   8.0595   5.3967   8.0595   5.3967   8.0595   5.3967   48.442   22.022   48.442   22.022 -0.000000 0.000000 
1 1 1    4    0   45 o   62.318   18.154   12.936   7.4056   12.936   7.4056   12.936   7.4056   62.318   25.674   62.318   25.674 -0.000000 0.000000 
1 1 1    4    0   46 o   93.470   14.911   23.542   8.0366   23.542   8.0366   23.542   8.0366   93.470   21.088   93.470   21.088 -0.000000 0.000000 
1 1 1    4    0   47 o  154.806   19.662   62.639   18.187   62.639   18.187   62.639   18.187  154.806   27.807  154.806   27.807 -0.000000 0.000000 
1 1 1    4    0   48 o  255.034   15.700  158.767   26.002  158.767   26.002  158.767   26.002  255.034   22.203  255.034   22.203 -0.000000 0.000000 
1 1 1    4    0   49 o   28.878   12.568   1.5980   4.6649   1.5980   4.6649   1.5980   4.6649   28.878   17.774   28.878   17.774 -0.000000 0.000000 
1 1 1    4    0   50 o   71.582   14.949   14.961   6.1491   14.961   6.1491   14.961   6.1491   71.582   21.141   71.582   21.141 -0.000000 0.000000 
1 1 1    4    0   51 o   41.990   15.363   6.1966   5.4943   6.1966   5.4943   6.1966   5.4943   41.990   21.727   41.990   21.727 -0.000000 0.000000 
1 1 1    4    0   52 o   19.220   9.5727  -5.4497   4.7920  -5.4497   4.7920  -5.4497   4.7920   19.220   13.538   19.220   13.538 -0.000000 0.000000 
1 1 1    4    0   53 o   68.515   18.405   15.337   7.8333   15.337   7.8333   15.337   7.8333   68.515   26.029   68.515   26.029 -0.000000 0.000000 
1 1 1    4    0   54 o   78.598   17.536   18.677   8.0065   18.677   8.0065   18.677   8.0065   78.598   24.799   78.598   24.799 -0.000000 0.000000 
1 1 1    4    0   55 o   90.055   20.216   24.787   10.590   24.787   10.590   24.787   10.590   90.055   28.590   90.055   28.590 -0.000000 0.000000 
1 1 1    4    0   56 o  224.767   11.688  122.238   17.148  122.238   17.148  122.238   17.148  224.767   16.530  224.767   16.530 -0.000000 0.000000 
1 1 1    4    0   57 o   29.930   13.443   0.8986   5.7958   0.8986   5.7958   0.8986   5.7958   29.930   19.012   29.930   19.012 -0.000000 0.000000 
1 1 1    4    0   58 o  198.734   13.660   97.727   17.553   97.727   17.553   97.727   17.553  198.734   19.318  198.734   19.318 -0.000000 0.000000 
1 1 1    4    0   59 o   69.877   21.041   17.185   9.8843   17.185   9.8843   17.185   9.8843   69.877   29.756   69.877   29.756 -0.000000 0.000000 
1 1 1    4    0   60 f  122.998   16.261   40.432   11.865   40.432   11.865   40.432   11.865  122.998   22.996  122.998   22.996 -0.000000 0.000000 
1 1 1    4    0   61 o   39.783   18.595  -1.1400   12.712  -1.1400   12.712  -1.1400   12.712   39.783   26.297   39.783   26.297 -0.000000 0.000000 
1 1 1    4    0   62 o  104.464   27.773   38.642   17.927   38.642   17.927   38.642   17.927  104.464   39.277  104.464   39.277 -0.000000 0.000000 
1 1 1    4    0   63 o   47.347   19.156   7.9221   9.4674   7.9221   9.4674   7.9221   9.4674   47.347   27.091   47.347   27.091 -0.000000 0.000000 
1 1 1    4    0   64 o  145.889   14.066   55.026   12.849   55.026   12.849   55.026   12.849  145.889   19.892  145.889   19.892 -0.000000 0.000000 
1 1 1    4    0   65 o   33.333   15.317   0.5203   8.0933   0.5203   8.0933   0.5203   8.0933   33.333   21.662   33.333   21.662 -0.000000 0.000000 
1 1 1    4    0   66 o   49.591   18.767   9.5093   8.4198   9.5093   8.4198   9.5093   8.4198   49.591   26.540   49.591   26.540 -0.000000 0.000000 
1 1 1    4    0   67 o   51.553   22.426   9.9220   14.837   9.9220   14.837   9.9220   14.837   51.553   31.715   51.553   31.715 -0.000000 0.000000 
1 1 1    4    0   68 f  109.127   18.491   35.374   11.569   35.374   11.569   35.374   11.569  109.127   26.151  109.127   26.151 -0.000000 0.000000 
1 1 1    4    0   69 o   27.610   13.620  -6.4118   9.0384  -6.4118   9.0384  -6.4118   9.0384   27.610   19.262   27.610   19.262 -0.000000 0.000000 
1 1 1    4    0   70 o   20.088   10.314 -14.1760   7.6018 -14.1760   7.6018 -14.1760   7.6018   20.088   14.586   20.088   14.586 -0.000000 0.000000 
1 1 1    4    0   71 o   23.513   11.670  -5.7394   6.9300  -5.7394   6.9300  -5.7394   6.9300   23.513   16.504   23.513   16.504 -0.000000 0.000000 
1 1 1    4    0   72 o   27.916   13.243  -0.8112   6.8634  -0.8112   6.8634  -0.8112   6.8634   27.916   18.728   27.916   18.728 -0.000000 0.000000 
1 1 1    4    1    0 o  548.073   20.394  711.104   73.406  711.104   73.406  711.104   73.406  548.073   28.841  548.073   28.841 -0.000000 0.000000 
1 1 1    4    1    1 o  482.769   18.042  548.849   40.696  563.546   57.554  534.152   57.552  489.283   25.169  476.255   25.857 13.02753 36.08417 
1 1 1    4    1    2 o  395.158   15.189  366.843   28.050  365.862   39.668  367.824   39.669  394.627   21.509  395.689   21.451 -1.062622 30.37746 
1 1 1    4    1    3 o  644.651   24.053  984.356   72.449  959.959  102.458  1008.75  102.460  636.554   34.440  652.749   33.586 -16.19531 48.10610 
1 1 1    4    1    4 o  728.906   26.869  1263.79   91.431  1331.24  129.304  1196.33  129.301  748.708   36.954  709.105   39.016 39.60315 53.73870 
1 1 1    4    1    5 o  376.492   16.540  334.596   28.950  295.345   40.935  373.874   40.949  354.177   24.730  398.807   21.970 -44.62958 33.08001 
1 1 1    4    1    6 o  474.777   20.912  533.161   46.362  507.828   65.561  558.501   65.571  463.359   30.275  486.195   28.857 -22.83624 41.82479 
1 1 1    4    1    7 o  470.120   24.792  525.999   54.396  494.652   76.924  557.352   76.931  455.852   36.107  484.389   33.983 -28.53693 49.58437 
1 1 1    4    1    8 o  374.788   20.140  332.488   35.253  318.662   49.854  346.315   49.856  366.894   29.075  382.681   27.877 -15.78683 40.27977 
1 1 1    4    1    9 o  212.019   12.591  105.646   12.468  101.282   17.630  110.013   17.635  207.613   18.170  216.424   17.435 -8.810806 25.18182 
1 1 1    4    1   10 o  602.365   43.948  954.926  112.094  781.720  194.142  1041.54  137.290  549.446   75.605  655.285   44.830 -105.8392 87.89679 
1 1 1    4    1   11 o  347.174   27.509  292.418   44.238  248.990   62.548  335.883   62.576  320.399   41.772  373.948   35.806 -53.54913 55.01742 
1 1 1    4    1   12 o  224.926   26.671  120.297   28.037  120.297   28.037   0.0000   0.0000  224.926   26.671  ?   ?       ?      ? 
1 1 1    4    1   13 o  268.202   31.009  172.510   38.868  172.510   38.868   0.0000   0.0000  268.202   31.009  ?   ?       ?      ? 
1 1 1    4    1   14 o   97.436   12.196   22.809   5.4164   20.745   7.6980   24.833   7.6223   92.159   18.516  102.714   15.879 -10.55521 24.39197 
1 1 1    4    1   15 o  440.877   31.721  495.191   60.189  524.367   73.722  436.867  104.233  466.140   33.841  415.614   53.663 50.52600 63.44191 
1 1 1    4    1   16 o  119.273   9.0692   33.661   4.9900   27.420   7.0449   39.945   7.0691  108.039   13.952  130.507   11.590 -22.46738 18.13836 
1 1 1    4    1   17 o  196.904   11.849   91.298   10.899   88.197   15.389   94.420   15.439  193.525   17.015  200.283   16.494 -6.758423 23.69741 
1 1 1    4    1   18 o  168.025   9.6522   66.569   7.4052   67.382   9.5404   65.335   11.745  169.428   12.049  166.622   15.083 2.806198 19.30448 
1 1 1    4    1   19 o   88.462   7.2386   18.041   2.9439   16.742   3.7819   20.039   4.6896   84.510   9.5755   92.414   10.858 -7.904839 14.47714 
1 1 1    4    1   20 o  419.924   22.816  424.997   44.657  389.932   63.132  460.113   63.178  402.048   33.599  437.800   30.878 -35.75180 45.63254 
1 1 1    4    1   21 o  586.545   38.711  895.169   97.316  780.745  168.523  952.414  119.199  548.041   65.797  625.049   40.805 -77.00842 77.42258 
1 1 1    4    1   22 o  364.044   18.989  315.682   32.251  336.909   45.620  294.474   45.600  376.514   25.926  351.575   27.753 24.93909 37.97825 
1 1 1    4    1   23 o  343.447   24.258  288.032   36.211  299.898   44.353  264.310   62.710  355.801   26.673  331.092   40.527 24.70975 48.51664 
1 1 1    4    1   24 o  306.946   17.165  222.936   24.488  196.320   34.630  249.559   34.634  288.390   25.694  325.502   22.767 -37.11206 34.32935 
1 1 1    4    1   25 o  516.565   26.051  650.026   60.688  702.718   78.348  570.989   95.956  544.796   30.772  488.334   42.045 56.46249 52.10222 
1 1 1    4    1   26 o  854.813   40.081  1765.61  157.469  1693.05  203.281  1874.47  248.998  835.885   52.036  873.741   60.978 -37.85559 80.16273 
1 1 1    4    1   27 o  789.831   39.702  1547.04  141.831  1644.76  183.104  1400.46  224.254  826.269   47.417  753.393   63.691 72.87561 79.40313 
1 1 1    4    1   28 o  547.047   26.014  704.803   65.449  671.057   84.473  755.485  103.524  531.588   34.002  562.506   39.380 -30.91785 52.02762 
1 1 1    4    1   29 o  359.616   19.141  305.387   32.169  306.242   45.498  304.532   45.490  360.124   27.033  359.108   27.105 1.016296 38.28137 
1 1 1    4    1   30 o  584.653   65.242  847.737  178.267   0.0000   0.0000  847.737  178.267  ?   ?   584.653   65.242      ?      ? 
1 1 1    4    1   31 o  407.044   22.146  392.996   42.129  395.375   59.573  390.616   59.586  408.296   31.220  405.793   31.419 2.502930 44.29290 
1 1 1    4    1   32 o  496.425   32.125  583.731   70.964  648.669  122.976  551.312   86.890  514.037   51.190  478.812   38.830 35.22473 64.25057 
1 1 1    4    1   33 o  421.920   18.407  421.925   36.279  407.023   51.295  436.839   51.317  414.361   26.488  429.479   25.567 -15.11823 36.81423 
1 1 1    4    1   34 o  560.238   24.383  752.917   63.766  794.434   90.188  711.416   90.170  576.090   33.498  544.386   35.441 31.70410 48.76677 
1 1 1    4    1   35 o  232.455   11.077  127.003   12.032  125.254   17.054  128.736   16.978  230.849   15.808  234.060   15.521 -3.211319 22.15361 
1 1 1    4    1   36 o  256.904   13.665  157.168   15.991  148.160   25.232  163.215   20.673  250.411   21.561  263.397   16.794 -12.98610 27.32916 
1 1 1    4    1   37 o  349.303   16.832  282.167   27.098  245.516   34.968  337.261   42.873  321.757   23.254  376.849   24.343 -55.09158 33.66494 
1 1 1    4    1   38 o  232.420   12.549  124.234   13.431  110.035   17.282  145.889   21.342  216.129   17.110  248.711   18.361 -32.58234 25.09763 
1 1 1    4    1   39 o  392.228   21.611  370.748   39.615  368.810   55.979  372.692   56.069  391.179   30.620  393.277   30.506 -2.097778 43.22275 
1 1 1    4    1   40 f  162.322   12.398   63.410   9.2454   51.913   13.386   73.898   12.785  147.781   19.381  176.863   15.468 -29.08163 24.79649 
1 1 1    4    1   41 o   99.964   12.469   24.362   5.5981   30.768   8.0018   18.221   7.8346  114.120   15.003   85.807   19.920 28.31320 24.93778 
1 1 1    4    1   42 o  232.085   11.325  128.016   12.199  110.683   17.216  145.495   17.288  216.043   17.051  248.126   14.908 -32.08241 22.64922 
1 1 1    4    1   43 o  238.798   11.799  135.972   13.070  117.481   18.514  154.344   18.454  222.276   17.822  255.319   15.466 -33.04243 23.59702 
1 1 1    4    1   44 f  105.799   9.5583   26.461   4.7261   26.416   6.6626   26.507   6.7049  105.711   13.486  105.888   13.549 -0.1768951 19.11661 
1 1 1    4    1   45 o  256.829   15.468  160.401   18.421  138.054   26.046  182.765   26.056  238.205   23.396  275.452   20.240 -37.24692 30.93627 
1 1 1    4    1   46 o  326.809   25.657  287.466   35.532  239.019   61.407  311.851   43.565  297.799   44.122  355.820   26.198 -58.02164 51.31318 
1 1 1    4    1   47 o  164.132   16.695   70.300   11.215   57.308   19.567   76.656   13.687  149.179   29.111  179.086   16.353 -29.90675 33.38936 
1 1 1    4    1   48 o  158.277   11.567   60.020   8.5495   59.321   12.297   60.674   11.895  157.297   16.727  159.258   15.981 -1.960236 23.13456 
1 1 1    4    1   49 o   96.302   11.113   22.260   4.8566   26.538   7.2984   18.861   6.5061  105.353   14.823   87.251   16.561 18.10204 22.22589 
1 1 1    4    1   50 o  240.450   12.035  139.945   13.511  133.224   19.135  146.629   19.081  234.474   17.462  246.426   16.568 -11.95209 24.07079 
1 1 1    4    1   51 o   39.552   11.482   1.4038   3.3994   1.2258   4.7468   1.5911   4.8706   38.955   16.079   40.148   16.397 -1.193871 22.96495 
1 1 1    4    1   52 o  148.814   10.987   54.483   7.4045   47.525   11.537   59.356   9.6554  139.926   17.642  157.702   13.101 -17.77579 21.97460 
1 1 1    4    1   53 o   42.077   12.211   1.7177   3.8544   0.5415   5.8058   2.6448   5.1542   41.006   17.408   43.148   17.129 -2.141792 24.42193 
1 1 1    4    1   54 o   72.321   14.472   13.544   4.9947   14.404   6.1281   11.844   8.6208   75.339   17.704   69.304   22.898 6.034767 28.94396 
1 1 1    4    1   55 o  246.980   15.151  152.270   17.487  154.237   24.734  150.303   24.728  248.682   21.282  245.277   21.572 3.404037 30.30278 
1 1 1    4    1   56 o   46.217   12.640   1.6189   4.4019  -4.7271   6.2966   7.6852   6.1562   35.157   16.260   57.277   19.358 -22.12015 25.28070 
1 1 1    4    1   57 o  140.071   13.492   49.089   8.4005   36.454   11.488   63.607   12.315  118.827   21.478  161.314   16.335 -42.48682 26.98368 
1 1 1    4    1   58 o   96.753   14.140   23.832   6.0717   23.990   7.6144   23.556   10.061   99.041   16.450   94.465   23.004 4.575752 28.28096 
1 1 1    4    1   59 o   43.353   13.448  -1.8261   5.0131  -4.1651   6.1844   2.6558   8.5608   35.201   16.222   51.504   21.453 -16.30316 26.89618 
1 1 1    4    1   60 o  240.745   15.937  150.259   17.831  167.550   25.292  133.173   25.142  255.946   21.144  225.544   23.852 30.40195 31.87426 
1 1 1    4    1   61 o  138.468   31.171   55.990   19.685   0.0000   0.0000   55.990   19.685  ?   ?   138.468   31.171      ?      ? 
1 1 1    4    1   62 o  170.831   19.443   81.907   13.810   83.301   16.757   78.957   24.382  180.179   19.899  161.483   33.409 18.69524 38.88612 
1 1 1    4    1   63 o   80.816   15.906   19.597   7.1534   27.170   8.7481   4.3133   12.427  101.764   19.095   59.867   25.443 41.89780 31.81199 
1 1 1    4    1   64 o   65.535   16.532   9.8463   6.2126   6.5323   7.6736   16.150   10.584   55.178   21.187   75.891   25.383 -20.71338 33.06320 
1 1 1    4    1   65 o   58.222   15.266   8.1981   5.5029   7.3588   7.4125   9.2285   8.2136   55.928   20.972   60.517   22.190 -4.589108 30.53216 
1 1 1    4    1   66 o   61.287   15.274   9.8008   5.3955   9.7659   7.0487   9.8503   8.3848   60.795   20.712   61.778   22.455 -0.9826317 30.54872 
1 1 1    4    1   67 o   64.479   14.827   10.947   5.9819   1.2887   8.7532   19.410   8.1937   47.154   20.690   81.804   21.243 -34.64984 29.65370 
1 1 1    4    1   68 o  101.554   19.679   33.993   9.8220   27.281   14.021   40.460   13.763   89.397   29.186  113.711   26.405 -24.31433 39.35765 
1 1 1    4    1   69 o   39.894   12.952  -9.5865   6.2996   5.2582   8.7606 -25.4811   9.0651   51.410   21.579   28.378   14.329 23.03263 25.90373 
1 1 1    4    1   70 o   53.672   24.126   4.6159   12.646   0.0000   0.0000   4.6159   12.646  ?   ?    53.672   24.126      ?      ? 
1 1 1    4    1   71 o   60.876   18.454   12.444   9.3340   13.390   14.177   11.720   12.401   61.898   26.753   59.853   25.427 2.045570 36.90862 
1 1 1    4    1   72 o   69.928   17.175   14.267   6.7252   7.1993   8.0167   31.057   12.356   51.088   20.970   88.768   27.208 -37.68010 34.35070 
1 1 1    4    2    0 o  274.564   10.243  177.839   18.470  177.839   18.470  177.839   18.470  274.564   14.486  274.564   14.486 -0.000000 0.000000 
1 1 1    4    2    1 o  837.495   30.102  1675.64  117.623  1566.34  166.344  1784.93  166.346  809.571   43.965  865.419   41.128 -55.84814 60.20369 
1 1 1    4    2    2 o  1033.69   42.834  2645.09  202.494  2853.99  267.877  2366.58  309.310  1087.29   52.717  980.083   67.529 107.2043 85.66897 
1 1 1    4    2    3 o  1156.43   43.482  3273.47  234.398  3014.72  331.487  3532.24  331.492  1108.56   63.983  1204.31   58.897 -95.75391 86.96367 
1 1 1    4    2    4 o  134.724   7.6725   42.493   4.8278   44.271   6.8303   40.718   6.8246  137.546   10.626  131.902   11.071 5.643677 15.34497 
1 1 1    4    2    5 o  882.094   45.435  1955.81  180.822  1746.06  285.900  2095.66  233.443  834.963   73.266  929.224   53.755 -94.26080 90.87093 
1 1 1    4    2    6 o  461.978   23.199  513.127   48.672  475.004   76.954  538.546   62.837  446.569   36.872  477.388   28.164 -30.81964 46.39811 
1 1 1    4    2    7 o  350.581   19.089  290.770   31.214  311.857   44.148  269.694   44.137  363.448   25.991  337.715   27.965 25.73257 38.17822 
1 1 1    4    2    8 o  548.513   29.802  723.406   76.391  714.441  108.034  732.372  108.034  545.015   42.414  552.010   41.876 -6.994690 59.60329 
1 1 1    4    2    9 o  1001.47   56.735  2615.28  265.454  2545.31  375.408  2685.26  375.411  986.520   81.424  1016.42   79.030 -29.89978 113.4708 
1 1 1    4    2   10 o  345.814   25.018  305.767   36.455  236.668   63.112  340.365   44.659  312.402   43.227  379.225   25.198 -66.82327 50.03502 
1 1 1    4    2   11 o  597.164   39.259  883.305  103.476  864.036  126.724  921.856  179.245  593.930   45.654  600.399   63.880 -6.468811 78.51739 
1 1 1    4    2   12 o   84.331   10.891   16.670   4.2922   16.670   4.2922   0.0000   0.0000   84.331   10.891  ?   ?       ?      ? 
1 1 1    4    2   13 o  463.388   53.183  542.199  115.175  542.199  115.175   0.0000   0.0000  463.388   53.183  ?   ?       ?      ? 
1 1 1    4    2   14 o  144.699   9.6438   49.539   6.4524   57.748   9.1200   41.311   9.1300  156.853   12.441  132.546   14.739 24.30762 19.28768 
1 1 1    4    2   15 o  117.449   7.6741   31.641   4.1527   28.406   5.3522   36.532   6.5824  110.087   10.403  124.811   11.285 -14.72339 15.34812 
1 1 1    4    2   16 o   81.575   8.0481   15.605   3.0672   15.686   4.2886   15.521   4.3886   81.793   11.219   81.356   11.542 0.4375305 16.09625 
1 1 1    4    2   17 o  360.874   21.513  295.138   32.138  277.014   37.103  349.588   64.312  341.772   23.229  379.975   36.216 -38.20294 43.02525 
1 1 1    4    2   18 o  188.895   11.671   84.147   10.303   83.828   14.577   84.466   14.564  188.533   16.544  189.257   16.466 -0.7241364 23.34188 
1 1 1    4    2   19 o  170.687   10.957   68.674   8.7305   72.509   12.357   64.852   12.336  175.485   15.067  165.888   15.912 9.596649 21.91394 
1 1 1    4    2   20 o  478.078   25.828  555.441   57.370  488.502   81.121  622.422   81.146  448.112   38.735  508.045   34.176 -59.93286 51.65676 
1 1 1    4    2   21 o  664.267   37.126  1106.36  115.065  1037.81  162.721  1174.93  162.733  642.186   54.217  686.348   50.733 -44.16272 74.25183 
1 1 1    4    2   22 o  250.075   18.548  154.421   19.964  165.461   24.474  132.462   34.516  264.849   19.772  235.301   31.387 29.54720 37.09612 
1 1 1    4    2   23 o  478.693   37.514  563.105   83.708  607.853  118.407  518.397  118.354  498.680   50.806  458.705   55.209 39.97543 75.02831 
1 1 1    4    2   24 o  327.231   18.226  252.885   27.840  267.038   39.376  238.737   39.368  336.483   25.039  317.979   26.491 18.50473 36.45194 
1 1 1    4    2   25 o  1191.69   54.744  3549.10  300.075  3353.24  387.384  3842.94  474.481  1157.67   71.600  1225.70   82.831 -68.03174 109.4874 
1 1 1    4    2   26 o  768.940   45.320  1395.67  143.274  1328.03  165.434  1598.66  286.575  742.426   47.679  795.455   77.087 -53.02875 90.64032 
1 1 1    4    2   27 o  149.092   9.0291   49.555   6.0652   34.334   7.7599   73.453   9.7234  121.057   13.716  177.127   11.746 -56.06990 18.05815 
1 1 1    4    2   28 o  202.676   10.826   94.543   10.094   87.027   12.976  106.058   16.062  192.702   14.409  212.650   16.162 -19.94876 21.65203 
1 1 1    4    2   29 o  634.376   47.962  1075.67  126.604  1209.26  155.060  808.513  219.277  708.229   46.847  560.523   83.706 147.7061 95.92386 
1 1 1    4    2   30 o  601.165   67.254  899.485  188.952  899.485  188.952   0.0000   0.0000  601.165   67.254  ?   ?       ?      ? 
1 1 1    4    2   31 o  1116.53   95.948  3812.79  452.023  4004.45  553.619  3429.49  782.911  1221.33   96.992  1011.73  165.579 209.6011 191.8950 
1 1 1    4    2   32 o  548.349   35.206  730.820   85.220  717.740  104.372  756.980  147.608  545.207   40.962  551.490   57.270 -6.282349 70.41158 
1 1 1    4    2   33 o  153.780   8.9337   55.811   6.3643   47.620   9.0411   63.858   8.9605  142.481   13.578  165.079   11.614 -22.59813 17.86743 
1 1 1    4    2   34 o  134.950   9.1412   42.868   5.7310   48.337   8.1182   37.434   8.0917  143.593   12.097  126.306   13.708 17.28681 18.28241 
1 1 1    4    2   35 o  176.689   10.876   72.106   8.8599   80.822   13.978   66.253   11.455  185.414   16.131  167.964   14.593 17.44934 21.75204 
1 1 1    4    2   36 o  564.638   25.029  768.264   65.976  728.070   93.291  808.481   93.317  549.405   36.333  579.872   34.434 -30.46741 50.05811 
1 1 1    4    2   37 o  346.052   17.010  280.589   27.092  264.079   34.966  305.388   42.854  333.846   22.411  358.258   25.595 -24.41187 34.01971 
1 1 1    4    2   38 o  281.396   18.504  189.764   21.045  191.038   24.355  186.010   41.811  284.608   18.310  278.184   32.160 6.424194 37.00727 
1 1 1    4    2   39 o  253.952   13.963  152.805   16.233  152.805   25.665  152.806   20.957  253.597   21.654  254.306   17.633 -0.7094879 27.92570 
1 1 1    4    2   40 o  334.550   16.597  266.257   25.491  278.782   40.364  257.947   32.877  340.340   25.377  328.760   21.398 11.57938 33.19412 
1 1 1    4    2   41 o  377.341   20.531  352.692   35.014  318.165   55.413  375.639   45.175  359.510   32.981  395.172   24.461 -35.66129 41.06149 
1 1 1    4    2   42 o  110.630   9.7820   29.256   4.9278   37.273   7.0369   21.541   6.9028  125.834   11.966   95.426   15.478 30.40784 19.56400 
1 1 1    4    2   43 o  156.055   10.466   56.618   7.4839   62.522   12.043   52.904   9.5522  162.428   15.865  149.683   13.655 12.74446 20.93209 
1 1 1    4    2   44 o  132.005   10.342   40.172   6.2851   48.180   9.9919   34.928   8.0849  142.550   14.998  121.459   14.243 21.09038 20.68354 
1 1 1    4    2   45 o  223.444   16.552  117.022   16.537  137.288   28.637  106.884   20.255  236.398   25.920  210.489   20.590 25.90877 33.10329 
1 1 1    4    2   46 o  172.611   17.716   77.079   12.460   66.016   22.248   82.134   15.040  159.943   30.882  185.280   17.369 -25.33659 35.43161 
1 1 1    4    2   47 o  297.030   22.622  224.861   29.280  222.535   51.118  225.997   35.721  291.319   37.546  302.741   25.247 -11.42169 45.24459 
1 1 1    4    2   48 o  118.279   12.300   34.998   6.3325   23.641   8.9666   46.299   8.9446   97.025   20.421  139.533   13.716 -42.50828 24.59960 
1 1 1    4    2   49 o   73.169   13.189   11.509   4.4496   20.780   7.9062   7.2107   5.3830   90.945   19.204   55.393   18.084 35.55154 26.37843 
1 1 1    4    2   50 o  162.456   10.906   63.671   8.1098   64.510   10.511   62.438   12.748  164.271   13.691  160.640   16.981 3.630722 21.81244 
1 1 1    4    2   51 o   95.074   12.978   24.234   5.3687   29.642   6.8682   15.739   8.6081  111.496   13.181   78.652   22.360 32.84364 25.95601 
1 1 1    4    2   52 o  197.452   13.410   95.252   12.375   95.817   17.473   94.683   17.527  198.080   18.875  196.823   19.055 1.256943 26.82079 
1 1 1    4    2   53 o  111.591   18.665   33.781   9.5910   37.912   12.747   28.391   14.561  120.915   23.403  102.268   29.084 18.64762 37.33072 
1 1 1    4    2   54 f   67.390   15.236   12.067   5.5405   14.956   6.2864   2.0139   11.727   76.758   17.860   58.022   24.689 18.73657 30.47168 
1 1 1    4    2   55 o   63.734   13.897   8.1608   5.2286   0.3170   7.0544   17.723   7.7889   44.435   19.034   83.032   20.253 -38.59754 27.79316 
1 1 1    4    2   56 o  182.463   12.902   81.389   10.741   60.176   14.672  105.888   15.767  155.963   20.129  208.963   16.145 -53.00017 25.80366 
1 1 1    4    2   57 f   85.544   15.590   18.617   6.2857   14.390   8.2462   24.479   9.7108   74.448   22.100   96.640   21.995 -22.19225 31.17982 
1 1 1    4    2   58 o   79.451   15.089   16.023   5.7225   12.899   7.5506   20.240   8.7718   70.882   21.171   88.021   21.507 -17.13838 30.17878 
1 1 1    4    2   59 o   98.711   13.664   23.267   6.0685   17.202   7.6385   33.646   9.9925   81.156   20.215  116.265   18.390 -35.10912 27.32824 
1 1 1    4    2   60 o   47.842   14.360  -1.6978   6.1877 -10.6192   8.8593   6.7991   8.6460   37.425   17.901   58.260   22.458 -20.83516 28.71970 
1 1 1    4    2   61 o   70.588   19.663   10.389   9.7679   4.9492   14.202   15.273   13.456   64.117   27.223   77.060   28.380 -12.94270 39.32567 
1 1 1    4    2   62 o   76.589   18.861   15.676   7.7615   16.270   8.9582   13.885   15.544   77.342   23.051   75.836   29.859 1.506683 37.72179 
1 1 1    4    2   63 o   84.554   18.640   18.879   7.4658   16.925   8.7066   24.306   14.510   78.596   22.536   90.513   29.698 -11.91785 37.28042 
1 1 1    4    2   64 o   43.046   13.518  -3.0277   5.8102   3.3137   7.9537 -10.2837   8.5080   49.955   20.732   36.138   17.353 13.81644 27.03624 
1 1 1    4    2   65 o   75.539   16.089   15.698   6.2369   11.582   8.3520   20.886   9.3773   65.484   22.540   85.593   22.965 -20.10915 32.17835 
1 1 1    4    2   66 o   61.469   15.890   9.7643   6.0005   11.361   7.7865   7.4291   9.4158   64.616   21.771   58.322   23.151 6.293594 31.77972 
1 1 1    4    2   67 f   42.553   13.882  -3.3638   6.4185  -4.3676   9.5518  -2.5373   8.6669   42.661   19.833   42.445   19.428 0.2160568 27.76369 
1 1 1    4    2   68 o   70.201   18.131   11.625   6.9544   7.3351   8.0157   24.681   13.985   55.287   21.537   85.115   29.174 -29.82798 36.26222 
1 1 1    4    2   69 o   74.626   24.841   18.470   10.139   18.470   10.139   0.0000   0.0000   74.626   24.841  ?   ?       ?      ? 
1 1 1    4    2   70 o   55.503   16.628   7.9578   7.3837   9.4791   8.9037   4.6077   13.213   56.920   22.539   54.085   24.454 2.835072 33.25656 
1 1 1    4    2   71 o   64.763   19.066   15.428   10.087   6.9223   15.011   22.432   13.622   56.139   25.648   73.386   28.217 -17.24760 38.13120 
1 1 1    4    2   72 o   60.559   16.469   12.350   7.7842  -1.5230   12.833   20.425   9.7909   46.762   22.131   74.356   24.394 -27.59391 32.93722 
1 1 1    4    3    0 o  245.136   9.5135  141.846   15.308  141.846   15.308  141.846   15.308  245.136   13.454  245.136   13.454 -0.000000 0.000000 
1 1 1    4    3    1 o  124.541   6.1523   35.942   3.5544   38.972   5.4395   33.683   4.6954  129.075   9.0173  120.006   8.3720 9.068970 12.30452 
1 1 1    4    3    2 o  355.810   18.323  297.881   29.878  295.484   38.575  301.474   47.237  354.326   23.295  357.295   28.289 -2.968231 36.64547 
1 1 1    4    3    3 o  158.286   10.379   58.736   7.6746   56.707   10.856   60.763   10.851  155.544   14.934  161.027   14.419 -5.482803 20.75877 
1 1 1    4    3    4 o  660.749   27.840  1042.63   85.964  1030.16  121.572  1055.10  121.572  656.710   39.611  664.787   39.130 -8.077271 55.67929 
1 1 1    4    3    5 o  361.623   17.261  302.511   28.768  342.530   45.492  275.844   37.135  381.029   25.547  342.217   23.219 38.81226 34.52183 
1 1 1    4    3    6 o  531.151   25.702  664.398   62.828  720.576   99.346  626.954   81.108  548.898   38.727  513.404   33.803 35.49377 51.40490 
1 1 1    4    3    7 o  234.322   13.468  129.103   14.746  132.328   20.857  125.879   20.850  237.266   18.810  231.378   19.282 5.888290 26.93673 
1 1 1    4    3    8 f  229.428   16.591  127.731   16.504  114.454   28.567  134.383   20.220  219.763   27.814  239.094   18.096 -19.33076 33.18225 
1 1 1    4    3    9 o   99.884   8.0508   23.422   3.7498   24.974   5.2691   21.829   5.3377  103.255   10.919   96.514   11.834 6.740822 16.10155 
1 1 1    4    3   10 o  612.949   50.498  981.999  144.211  1061.73  203.954  902.287  203.935  640.775   68.106  585.124   74.576 55.65088 100.9952 
1 1 1    4    3   11 o  275.376   31.669  181.818   40.757  181.818   40.757   0.0000   0.0000  275.376   31.669  ?   ?       ?      ? 
1 1 1    4    3   12 f  198.250   13.370   92.300   12.388   92.300   12.388   0.0000   0.0000  198.250   13.370  ?   ?       ?      ? 
1 1 1    4    3   13 f  249.356   21.117  152.709   23.605  201.254   33.410  104.326   33.355  290.938   24.572  207.774   34.350 83.16440 42.23375 
1 1 1    4    3   14 o  295.610   22.874  227.780   28.127  166.315   48.695  258.556   34.457  260.920   39.933  330.300   22.322 -69.38004 45.74842 
1 1 1    4    3   15 o  439.392   22.743  467.078   46.144  386.221   65.241  548.015   65.274  400.001   34.899  478.784   29.171 -78.78351 45.48532 
1 1 1    4    3   16 f  272.982   18.526  173.544   22.483  189.615   38.957  165.517   27.531  281.573   29.604  264.391   22.281 17.18216 37.05211 
1 1 1    4    3   17 o  214.229   12.881  108.344   12.892  105.138   18.237  111.546   18.228  211.028   18.491  217.429   17.938 -6.400406 25.76266 
1 1 1    4    3   18 o  184.594   11.575   80.416   9.9762   84.586   14.129   76.269   14.089  189.412   15.961  179.777   16.768 9.635178 23.14989 
1 1 1    4    3   19 o  392.300   21.185  371.941   38.387  435.732   54.310  308.251   54.267  427.062   27.211  357.538   32.476 69.52371 42.36918 
1 1 1    4    3   20 o  187.182   13.073   82.678   9.8935   82.751   11.427   82.458   19.772  187.767   13.022  186.598   22.672 1.168991 26.14583 
1 1 1    4    3   21 o  300.872   16.820  215.716   23.462  246.891   33.205  184.632   33.156  323.007   21.996  278.737   25.452 44.27029 33.63995 
1 1 1    4    3   22 o  232.070   12.082  125.093   12.899  118.451   16.639  135.096   20.419  224.543   15.856  239.596   18.235 -15.05302 24.16459 
1 1 1    4    3   23 o  104.124   10.714   24.497   4.9740   28.501   8.6729   22.535   6.0718  110.185   16.842   98.063   13.249 12.12236 21.42874 
1 1 1    4    3   24 f  142.746   10.079   47.941   6.6849   53.872   9.4508   42.002   9.4569  151.642   13.335  133.850   15.118 17.79228 20.15888 
1 1 1    4    3   25 o  327.023   15.856  247.365   23.887  228.151   30.824  276.251   37.794  311.516   21.172  342.530   23.609 -31.01474 31.71212 
1 1 1    4    3   26 o  395.055   26.243  368.429   45.826  361.970   56.123  381.352   79.383  391.057   30.708  399.052   42.565 -7.994476 52.48608 
1 1 1    4    3   27 o  371.471   17.608  318.098   30.149  284.268   38.902  368.978   47.708  347.401   23.960  395.542   25.808 -48.14093 35.21598 
1 1 1    4    3   28 o  702.672   56.726  1259.82  186.194  1301.58  263.321  1218.06  263.316  715.388   78.759  689.956   81.661 25.43225 113.4526 
1 1 1    4    3   29 o  338.632   38.183  273.615   60.429  273.615   60.429   0.0000   0.0000  338.632   38.183  ?   ?       ?      ? 
1 1 1    4    3   30 o  440.378   48.663  468.798  100.154  468.798  100.154   0.0000   0.0000  440.378   48.663  ?   ?       ?      ? 
1 1 1    4    3   31 o  213.572   15.001  108.936   13.951  111.784   17.023  103.113   24.343  218.195   16.694  208.949   24.928 9.245667 30.00173 
1 1 1    4    3   32 o  142.074   10.862   47.477   7.1513   39.782   9.9596   55.667   10.275  130.122   16.377  154.025   14.274 -23.90273 21.72461 
1 1 1    4    3   33 o  484.478   23.008  554.955   51.255  530.283   66.164  591.980   81.054  471.940   29.998  497.016   34.895 -25.07629 46.01659 
1 1 1    4    3   34 o  130.670   15.713   41.210   8.5194   40.679   15.590   41.436   10.173  128.583   26.811  132.757   16.396 -4.173355 31.42689 
1 1 1    4    3   35 f  164.820   12.180   63.985   9.3691   60.237   13.270   67.710   13.230  159.967   17.750  169.673   16.684 -9.705475 24.36010 
1 1 1    4    3   36 o  231.623   18.509  135.007   18.256  149.018   22.438  107.566   31.400  251.373   19.099  211.874   31.711 39.49936 37.01829 
1 1 1    4    3   37 o  184.447   12.355   75.026   9.5876   69.040   11.134   92.193   18.856  171.421   13.898  197.472   20.431 -26.05072 24.71027 
1 1 1    4    3   38 o  214.477   10.882  108.190   10.902  113.278   15.549  103.271   15.289  219.457   15.160  209.498   15.616 9.958435 21.76440 
1 1 1    4    3   39 o  283.261   14.902  190.598   19.361  189.847   25.074  191.706   30.470  283.037   18.956  283.486   22.998 -0.4492493 29.80330 
1 1 1    4    3   40 o  171.348   12.201   69.667   9.7386   62.866   13.700   76.613   13.846  162.777   18.009  179.919   16.466 -17.14163 24.40228 
1 1 1    4    3   41 o  197.499   15.767   93.697   13.716   92.428   23.625   94.342   16.845  195.675   25.834  199.323   18.083 -3.647949 31.53392 
1 1 1    4    3   42 o  169.370   12.466   68.625   9.7474   56.465   13.771   80.834   13.799  153.980   19.136  184.761   15.981 -30.78130 24.93149 
1 1 1    4    3   43 o  349.993   17.181  291.139   27.697  269.021   35.742  324.388   43.821  334.283   22.878  365.702   25.640 -31.41879 34.36291 
1 1 1    4    3   44 o  173.737   10.983   70.856   8.8308   66.106   11.563   77.503   13.679  166.957   14.819  180.517   16.214 -13.56003 21.96611 
1 1 1    4    3   45 o  123.432   12.839   36.944   7.0473   48.207   10.349   27.206   9.6232  142.301   15.561  104.563   20.425 37.73816 25.67755 
1 1 1    4    3   46 o  150.083   14.295   51.172   9.4908   64.460   17.019   45.174   11.434  162.860   22.360  137.306   17.818 25.55421 28.59093 
1 1 1    4    3   47 o  151.525   17.524   56.696   11.993   69.827   17.855   45.903   16.188  169.099   22.593  133.951   26.794 35.14738 35.04827 
1 1 1    4    3   48 o  144.867   12.213   45.128   7.6521   37.430   8.9831   65.488   14.609  125.153   15.358  164.582   18.993 -39.42889 24.42546 
1 1 1    4    3   49 o  244.720   13.560  147.335   15.062  153.835   19.425  137.536   23.852  252.835   16.439  236.605   21.570 16.22971 27.12050 
1 1 1    4    3   50 o   95.707   12.538   23.127   5.3520   25.537   7.0398   19.827   8.2385  103.182   14.599   88.231   20.389 14.95056 25.07624 
1 1 1    4    3   51 o  151.550   12.229   55.639   8.6244   61.779   12.256   49.617   12.138  160.110   16.379  142.990   18.164 17.11986 24.45829 
1 1 1    4    3   52 o  201.825   20.403  105.622   19.215  111.712   27.164   99.525   27.184  208.293   27.905  195.357   29.774 12.93579 40.80660 
1 1 1    4    3   53 o  139.399   13.782   45.220   7.7408   42.637   8.8297   53.796   16.091  133.073   14.198  145.725   23.626 -12.65222 27.56410 
1 1 1    4    3   54 o  109.896   16.191   33.277   7.0333   35.572   8.0771   26.080   14.304  121.571   14.216   98.222   29.095 23.34979 32.38279 
1 1 1    4    3   55 o  165.122   12.767   67.007   9.8153   70.474   13.572   63.204   14.212  170.016   17.080  160.229   18.979 9.787674 25.53345 
1 1 1    4    3   56 o  183.630   16.488   83.953   13.065   82.168   15.690   87.991   23.593  183.069   18.338  184.191   27.408 -1.121872 32.97694 
1 1 1    4    3   57 o  137.563   14.579   40.796   8.4571   29.331   9.9112   71.499   16.219  106.534   20.652  168.592   20.585 -62.05769 29.15873 
1 1 1    4    3   58 o  174.363   15.250   73.571   10.933   70.186   12.646   83.590   21.757  169.657   15.949  179.069   25.998 -9.412048 30.49980 
1 1 1    4    3   59 o   84.692   15.559   18.409   6.2843   13.452   8.3154   25.012   9.5964   71.936   22.365   97.449   21.635 -25.51364 31.11728 
1 1 1    4    3   60 o   98.950   18.708   26.641   8.5403   29.594   14.395   25.037   10.609  101.801   28.907   96.099   23.757 5.702110 37.41635 
1 1 1    4    3   61 o  129.382   22.063   49.718   13.603   34.007   19.005   66.220   19.478  105.236   33.952  153.528   28.185 -48.29204 44.12621 
1 1 1    4    3   62 o   95.479   18.134   27.803   8.4070   32.321   10.045   17.239   15.360  110.811   20.139   80.147   30.163 30.66396 36.26789 
1 1 1    4    3   63 o  138.162   17.667   51.182   10.536   48.216   12.871   57.207   18.342  136.337   20.200  139.986   28.990 -3.648727 35.33374 
1 1 1    4    3   64 o   55.126   15.315   5.5080   6.4409   10.795   7.3393 -12.2091   13.435   63.787   21.130   46.464   22.174 17.32296 30.62969 
1 1 1    4    3   65 o   56.636   15.265   7.4374   5.6182   9.3160   6.8020   3.4044   9.9663   59.772   20.347   53.500   22.763 6.272308 30.53066 
1 1 1    4    3   66 o   50.494   15.691   1.2843   6.0348   0.3468   6.8430   4.5650   12.801   42.215   18.414   58.774   25.412 -16.55829 31.38216 
1 1 1    4    3   67 o   97.539   23.221   28.542   10.433   28.542   10.433   0.0000   0.0000   97.539   23.221  ?   ?       ?      ? 
1 1 1    4    3   68 o   44.516   20.381  -2.4977   9.5463  -2.4977   9.5463   0.0000   0.0000   44.516   20.381  ?   ?       ?      ? 
1 1 1    4    3   69 o   78.042   20.542   23.199   10.000   21.571   13.662   25.077   14.678   75.947   28.473   80.137   29.617 -4.189514 41.08425 
1 1 1    4    3   70 o   55.204   16.603   6.2640   7.4711   14.355   11.894   0.9911   9.6017   64.385   25.865   46.022   20.824 18.36323 33.20559 
1 1 1    4    3   71 o   57.535   16.468   9.7343   7.5483   0.5227   11.945   15.857   9.7391   48.171   22.321   66.899   24.218 -18.72745 32.93533 
1 1 1    4    3   72 o   46.685   13.829   4.1544   5.7011   9.4508   7.0675  -5.7130   9.6465   54.558   20.474   38.811   18.594 15.74780 27.65753 
1 1 1    4    4    0 o  355.631   20.036  302.863   46.407  302.863   46.407  302.863   46.407  355.631   28.336  355.631   28.336 -0.000000 0.000000 
1 1 1    4    4    1 o  659.608   39.255  1050.29  104.901  1036.27  121.126  1092.35  209.820  658.237   39.374  660.979   67.923 -2.742065 78.51027 
1 1 1    4    4    2 o  287.864   14.917  196.803   19.555  203.790   25.241  186.315   30.925  294.554   18.336  281.174   23.534 13.37964 29.83378 
1 1 1    4    4    3 o   73.086   6.8544   12.370   2.3002   11.840   2.9591   13.179   3.6563   71.138   8.9004   75.035   10.427 -3.896362 13.70870 
1 1 1    4    4    4 o  357.469   18.134  305.156   29.485  317.899   38.065  286.042   46.621  367.379   22.170  347.558   28.702 19.82101 36.26719 
1 1 1    4    4    5 o  532.276   28.781  681.866   71.411  626.941  100.978  736.818  101.004  510.193   42.349  554.359   38.985 -44.16623 57.56162 
1 1 1    4    4    6 o  286.277   19.829  194.551   24.982  193.333   43.236  195.162   30.608  284.914   32.471  287.640   22.769 -2.725830 39.65819 
1 1 1    4    4    7 o  179.894   16.432   76.994   13.659   90.053   19.302   63.893   19.332  195.453   21.130  164.335   25.171 31.11850 32.86475 
1 1 1    4    4    8 o  357.619   21.292  301.526   33.694  314.998   58.363  294.790   41.266  362.470   34.453  352.769   25.030 9.701599 42.58493 
1 1 1    4    4    9 o  424.827   33.570  433.125   66.652  433.125   66.652   0.0000   0.0000  424.827   33.570  ?   ?       ?      ? 
1 1 1    4    4   10 f  630.431   45.497  979.297  128.632  857.012  157.553  1223.76  222.762  580.150   58.109  680.712   70.022 -100.5617 90.99317 
1 1 1    4    4   11 o  400.035   25.851  420.851   42.917  478.879   52.595  305.231   74.241  448.706   25.081  351.363   45.211 97.34296 51.70194 
1 1 1    4    4   12 o  373.687   19.857  316.964   33.276  394.376   57.709  278.407   40.728  405.405   30.459  341.968   25.484 63.43701 39.71358 
1 1 1    4    4   13 o  164.316   15.309   64.371   11.629   53.607   16.442   75.144   16.449  150.294   23.409  178.338   19.736 -28.04424 30.61832 
1 1 1    4    4   14 o  156.756   11.110   55.121   7.7851   66.996   13.577   49.304   9.5026  168.644   17.226  144.867   14.036 23.77675 22.22005 
1 1 1    4    4   15 o  232.093   13.306  127.565   14.339  144.412   20.305  110.803   20.253  247.583   17.548  216.603   20.007 30.97928 26.61248 
1 1 1    4    4   16 f   72.894   10.861   13.960   3.4032   16.078   4.1254   9.4482   6.0210   82.813   10.659   62.974   18.927 19.83854 21.72247 
1 1 1    4    4   17 o  310.379   23.415  244.968   30.978  265.913   37.940  203.076   53.657  333.898   24.313  286.860   40.023 47.03802 46.82941 
1 1 1    4    4   18 o  236.047   16.109  131.780   15.380  131.189   17.752  133.560   30.799  235.961   16.097  236.134   27.908 -0.1733704 32.21807 
1 1 1    4    4   19 o  458.768   28.659  502.625   61.447  502.625   61.447   0.0000   0.0000  458.768   28.659  ?   ?       ?      ? 
1 1 1    4    4   20 o  102.953   7.6858   24.447   3.6455   22.646   4.7073   27.147   5.7623   98.307   10.246  107.598   11.459 -9.290848 15.37156 
1 1 1    4    4   21 o  432.890   21.655  457.282   42.314  492.555   54.636  404.422   66.885  455.598   25.660  410.183   34.891 45.41528 43.31059 
1 1 1    4    4   22 o  403.861   23.292  365.531   39.030  340.964   45.058  439.372   78.115  379.831   25.383  427.892   39.062 -48.06097 46.58491 
1 1 1    4    4   23 o  219.716   15.181  108.742   14.947   97.818   18.312  130.545   25.870  204.039   19.204  235.393   23.516 -31.35416 30.36109 
1 1 1    4    4   24 o  589.321   29.915  836.830   81.536  701.491  115.298  972.219  115.320  540.174   45.672  638.468   38.648 -98.29401 59.82910 
1 1 1    4    4   25 o  694.912   35.810  1208.68  111.044  1349.79  143.370  997.109  175.551  751.517   40.820  638.306   58.848 113.2114 71.61967 
1 1 1    4    4   26 o  348.074   27.208  286.001   44.260  286.001   44.260   0.0000   0.0000  348.074   27.208  ?   ?       ?      ? 
1 1 1    4    4   27 o  373.256   21.111  330.776   36.620  370.943   51.822  290.715   51.755  396.249   27.984  350.263   31.616 45.98517 42.22181 
1 1 1    4    4   28 f  430.905   28.320  449.765   53.346  461.420   65.384  426.559   92.260  441.182   31.711  420.629   46.932 20.55396 56.64097 
1 1 1    4    4   29 o  490.511   38.358  586.077   87.930  581.275  124.364  590.877  124.340  488.415   54.483  492.608   54.009 -4.192780 76.71642 
1 1 1    4    4   30 o  480.161   37.708  562.357   84.551  537.635  119.579  587.073  119.566  469.144   54.539  491.177   52.087 -22.03348 75.41575 
1 1 1    4    4   31 o  791.927   55.939  1620.01  195.245  1579.98  239.138  1700.05  338.136  791.417   64.655  792.436   91.303 -1.019775 111.8771 
1 1 1    4    4   32 o  197.432   11.457   90.467   10.428   85.250   13.517   98.138   16.390  190.551   15.178  204.313   17.165 -13.76256 22.91333 
1 1 1    4    4   33 o  196.412   10.565   89.145   9.5811   81.918   12.441   99.679   15.020  186.826   14.248  205.997   15.602 -19.17143 21.12903 
1 1 1    4    4   34 o  531.321   27.200  690.604   65.639  722.354   84.765  643.049  103.738  549.079   33.032  513.563   43.222 35.51587 54.39902 
1 1 1    4    4   35 o  129.941   12.804   43.076   6.6902   47.191   8.0664   34.007   11.975  141.861   12.167  118.020   22.533 23.84098 25.60810 
1 1 1    4    4   36 o  258.933   19.127  169.322   21.140  188.085   26.095  133.500   36.057  282.223   19.785  235.642   32.741 46.58133 38.25436 
1 1 1    4    4   37 o  193.759   11.206   87.773   10.003   85.103   13.002   91.646   15.659  190.272   14.621  197.246   16.986 -6.973770 22.41231 
1 1 1    4    4   38 o  463.417   25.975  522.902   56.238  508.001   79.579  537.766   79.485  456.534   37.298  470.300   36.163 -13.76617 51.95092 
1 1 1    4    4   39 o  265.621   19.533  177.494   20.319  184.357   23.411  156.540   40.909  278.933   17.959  252.309   34.693 26.62440 39.06534 
1 1 1    4    4   40 o  450.684   29.905  494.785   60.237  447.641   73.715  589.534  104.503  423.732   37.224  477.636   46.815 -53.90421 59.81060 
1 1 1    4    4   41 o  159.196   15.544   63.938   10.411   69.320   12.906   53.913   17.615  171.121   16.138  147.271   26.570 23.85037 31.08724 
1 1 1    4    4   42 o  415.176   24.255  458.851   43.188  555.879   55.791  313.774   68.220  479.841   24.878  350.511   41.645 129.3300 48.51046 
1 1 1    4    4   43 o   77.191   13.014   15.277   4.7642   18.799   6.1179   9.8496   7.5940   89.114   14.690   65.268   21.487 23.84557 26.02886 
1 1 1    4    4   44 o  142.242   10.409   47.257   6.8084   44.054   8.7567   52.153   10.826  136.385   13.738  148.100   15.642 -11.71568 20.81840 
1 1 1    4    4   45 o  290.884   21.409  209.330   27.479  219.855   47.701  204.102   33.618  293.154   34.817  288.614   24.924 4.540283 42.81811 
1 1 1    4    4   46 o  264.060   32.992  177.499   40.715   0.0000   0.0000  177.499   40.715  ?   ?   264.060   32.992      ?      ? 
1 1 1    4    4   47 o   51.995   13.898   0.9522   5.5055  -8.5858   7.6923   10.969   7.8831   36.280   17.159   67.710   21.868 -31.43026 27.79659 
1 1 1    4    4   48 o   81.676   16.598   16.556   6.1198   16.556   6.1198   0.0000   0.0000   81.676   16.598  ?   ?       ?      ? 
1 1 1    4    4   49 o  158.674   14.607   60.112   10.486   55.625   13.077   68.191   17.548  151.338   18.490  166.009   22.618 -14.67105 29.21337 
1 1 1    4    4   50 o   88.732   15.564   19.311   6.2903   16.072   7.9293   24.811   10.332   79.363   21.038   98.101   22.944 -18.73843 31.12892 
1 1 1    4    4   51 o  155.702   12.499   52.056   8.0682   45.259   9.2268   74.135   16.630  137.515   14.357  173.890   20.464 -36.37460 24.99745 
1 1 1    4    4   52 o  100.980   15.571   25.949   6.2747   26.102   7.1541   25.441   13.063  104.165   14.696   97.795   27.456 6.370216 31.14154 
1 1 1    4    4   53 o  119.312   15.513   36.334   7.1227   36.423   8.1402   36.046   14.713  122.980   14.163  115.643   27.605 7.337456 31.02629 
1 1 1    4    4   54 o  207.986   12.137  103.775   11.632   95.845   15.027  115.633   18.373  198.717   16.180  217.256   18.096 -18.53928 24.27442 
1 1 1    4    4   55 o   99.785   13.769   25.264   6.1880   23.040   8.6258   27.622   8.8822   94.933   20.070  104.637   18.857 -9.704178 27.53862 
1 1 1    4    4   56 o   63.995   14.890   9.6482   5.1482   7.6004   6.7914   12.415   7.8937   57.853   20.302   70.137   21.788 -12.28362 29.78079 
1 1 1    4    4   57 o   96.844   14.343   23.674   6.4624   14.748   8.7109   34.601   9.6375   75.219   22.802  118.469   17.407 -43.24977 28.68663 
1 1 1    4    4   58 o   97.087   17.989   26.076   7.8457   27.628   9.2404   22.067   14.851  103.840   19.763   90.334   30.064 13.50585 35.97758 
1 1 1    4    4   59 o  106.554   16.385   27.449   6.7062   25.651   7.4924   34.689   15.039  102.257   15.678  110.851   28.776 -8.594208 32.77005 
1 1 1    4    4   60 o   64.046   18.329   5.9552   8.7004   0.3965   11.720   12.780   12.986   54.927   24.024   73.166   27.688 -18.23849 36.65797 
1 1 1    4    4   61 o   85.122   20.741   20.075   10.210   14.673   14.455   25.451   14.422   76.567   29.156   93.677   29.508 -17.10953 41.48243 
1 1 1    4    4   62 o   34.307   12.025 -13.0931   5.6648 -10.7824   6.3623 -21.9319   12.444   29.236   14.264   39.377   19.363 -10.14080 24.05025 
1 1 1    4    4   63 o   51.037   13.669   3.6259   5.3619   10.363   6.7022  -8.3524   8.9370   63.014   20.144   39.060   18.480 23.95442 27.33705 
1 1 1    4    4   64 o   62.597   15.706   9.9115   5.5800   9.0978   6.9488   11.389   9.3632   59.442   20.554   65.751   23.755 -6.308537 31.41275 
1 1 1    4    4   65 o   73.417   19.547   14.929   9.0489   14.503   11.878   15.518   13.969   72.265   26.656   74.568   28.597 -2.302444 39.09378 
1 1 1    4    4   66 o   71.875   20.812   14.535   7.3927   14.535   7.3927   0.0000   0.0000   71.875   20.812  ?   ?       ?      ? 
1 1 1    4    4   67 o  111.204   21.879   35.986   10.966   35.986   10.966   0.0000   0.0000  111.204   21.879  ?   ?       ?      ? 
1 1 1    4    4   68 o   65.305   18.726   11.376   9.1300   15.563   12.390   6.4004   13.506   70.890   26.993   59.720   25.962 11.17068 37.45140 
1 1 1    4    4   69 o   51.420   16.064   3.7817   7.4530   5.4736   11.713   2.6307   9.6610   54.265   23.869   48.575   21.507 5.689865 32.12875 
1 1 1    4    4   70 o   52.522   15.341   5.0188   7.2942   13.530   8.9252 -12.0992   12.658   63.837   23.173   41.208   20.108 22.62880 30.68101 
1 1 1    4    4   71 o   37.895   12.671  -4.8706   5.8407  -7.3899   7.7317  -1.5219   8.9139   34.032   16.393   41.757   19.325 -7.725433 25.34114 
1 1 1    4    4   72 o   58.368   14.067   5.4438   5.6411  -5.5328   7.0653   24.745   9.3690   33.266   15.931   83.469   23.188 -50.20279 28.13319 
1 1 1    4    5    0 o   87.640   8.6463   18.989   4.7293   18.989   4.7293   18.989   4.7293   87.640   12.228   87.640   12.228 -0.000000 0.000000 
1 1 1    4    5    1 o  373.371   19.007  330.698   33.063  360.499   46.766  300.916   46.751  390.443   25.629  356.298   28.076 34.14444 38.01471 
1 1 1    4    5    2 o  363.397   27.825  313.045   47.256   0.0000   0.0000  313.045   47.256  ?   ?   363.397   27.825      ?      ? 
1 1 1    4    5    3 o  382.931   26.721  369.897   43.608  304.044   75.518  402.841   53.414  353.691   45.686  412.170   27.729 -58.47858 53.44230 
1 1 1    4    5    4 o  225.878   15.623  121.353   14.196  118.448   28.420  122.319   16.387  223.500   27.209  228.256   15.362 -4.755432 31.24552 
1 1 1    4    5    5 o  420.443   24.595  418.425   48.328   0.0000   0.0000  418.425   48.328  ?   ?   420.443   24.595      ?      ? 
1 1 1    4    5    6 o  239.481   21.947  135.486   24.564   0.0000   0.0000  135.486   24.564  ?   ?   239.481   21.947      ?      ? 
1 1 1    4    5    7 o   79.243   15.669   15.273   5.5973   0.0000   0.0000   15.273   5.5973  ?   ?    79.243   15.669      ?      ? 
1 1 1    4    5    8 o  253.684   18.628  158.250   20.412  167.968   25.017  138.896   35.304  266.686   20.072  240.682   31.386 26.00406 37.25597 
1 1 1    4    5    9 o  713.759   47.308  1372.46  144.738  1445.14  177.286  1227.19  250.639  760.466   49.883  667.053   80.398 93.41260 94.61575 
1 1 1    4    5   10 o  309.864   20.497  264.567   25.055  320.869   30.727  152.856   43.281  368.867   17.824  250.862   36.917 118.0052 40.99429 
1 1 1    4    5   11 o  300.130   17.199  214.539   24.038  235.293   34.019  193.842   33.972  314.903   23.115  285.358   25.474 29.54526 34.39791 
1 1 1    4    5   12 o   69.596   11.495   11.862   3.7449   15.931   5.3626   7.9877   5.2321   81.092   14.691   58.099   17.685 22.99340 22.99082 
1 1 1    4    5   13 o  249.677   21.051  151.717   23.858  192.445   33.763  111.100   33.717  284.529   25.391  214.824   33.584 69.70486 42.10149 
1 1 1    4    5   14 o  211.530   15.683  106.237   14.578  106.825   17.846  105.056   25.274  212.891   17.936  210.168   25.731 2.723068 31.36571 
1 1 1    4    5   15 o  375.919   24.248  329.892   40.714  303.543   49.849  382.690   70.563  355.665   29.989  396.173   38.111 -40.50836 48.49541 
1 1 1    4    5   16 o  279.738   18.104  181.142   20.741  175.006   23.935  199.634   41.553  271.977   18.830  287.499   30.926 -15.52185 36.20790 
1 1 1    4    5   17 o  259.902   19.196  168.912   19.609  176.010   22.634  147.554   39.262  273.072   17.736  246.732   34.049 26.34029 38.39152 
1 1 1    4    5   18 o  416.483   22.596  418.573   43.607  357.283   61.663  479.887   61.676  384.990   34.272  447.977   29.459 -62.98694 45.19246 
1 1 1    4    5   19 f  279.648   15.394  185.080   20.109  178.315   28.451  191.832   28.426  274.475   22.179  284.820   21.355 -10.34549 30.78894 
1 1 1    4    5   20 o  440.759   23.941  466.772   49.304  455.892   69.733  477.647   69.720  435.478   34.264  446.041   33.446 -10.56354 47.88127 
1 1 1    4    5   21 o  498.471   26.207  600.304   60.213  712.241   85.188  488.547   85.119  546.477   33.355  450.465   40.432 96.01212 52.41476 
1 1 1    4    5   22 o  395.762   28.459  405.055   43.366  433.395   50.076  320.052   86.726  428.619   24.999  362.905   51.135 65.71371 56.91827 
1 1 1    4    5   23 o  977.899   77.933  2424.48  356.173  2424.48  356.173   0.0000   0.0000  977.899   77.933  ?   ?       ?      ? 
1 1 1    4    5   24 o  271.392   14.932  173.157   18.939  173.369   26.803  172.945   26.765  271.558   21.119  271.225   21.115 0.3324890 29.86403 
1 1 1    4    5   25 o  348.505   17.180  283.452   27.531  271.994   35.555  300.609   43.508  340.005   22.376  357.006   26.077 -17.00085 34.36076 
1 1 1    4    5   26 o  546.742   33.605  709.608   74.651  698.454   86.196  743.077  149.317  542.356   34.007  551.128   57.972 -8.772034 67.20965 
1 1 1    4    5   27 o  614.041   40.120  892.732  109.876  1019.65  190.410  829.374  134.535  642.354   63.427  585.728   49.147 56.62598 80.23966 
1 1 1    4    5   28 o  450.685   34.028  522.611   64.577  406.800  111.932  580.390   79.062  407.170   58.821  494.200   34.231 -87.02991 68.05684 
1 1 1    4    5   29 o  247.948   28.875  145.409   33.460   0.0000   0.0000  145.409   33.460  ?   ?   247.948   28.875      ?      ? 
1 1 1    4    5   30 o  349.712   27.649  293.366   45.184  298.532   63.923  288.208   63.876  352.867   38.762  346.557   39.439 6.309937 55.29808 
1 1 1    4    5   31 f  178.922   14.314   75.770   11.478   76.652   14.378   74.220   19.061  180.581   17.036  177.263   23.008 3.317307 28.62885 
1 1 1    4    5   32 f  270.488   13.727  175.206   16.856  186.277   21.833  158.869   26.521  281.530   16.594  259.447   21.873 22.08325 27.45487 
1 1 1    4    5   33 o  424.237   29.565  457.610   53.577  496.447   65.713  380.598   92.535  456.045   30.832  392.430   50.455 63.61496 59.12926 
1 1 1    4    5   34 o  442.883   20.677  465.458   42.018  456.912   54.273  478.244   66.385  438.613   26.477  447.154   31.767 -8.541016 41.35373 
1 1 1    4    5   35 o  693.573   50.660  1284.83  151.964  1325.35  186.166  1203.91  263.069  726.469   54.833  660.677   85.200 65.79248 101.3195 
1 1 1    4    5   36 o  177.642   12.049   74.432   9.9893   72.082   14.367   76.631   13.899  174.878   17.578  180.405   16.485 -5.527359 24.09888 
1 1 1    4    5   37 o  211.613   10.980  101.430   10.634   78.875   13.699  135.618   16.866  183.070   16.012  240.155   15.027 -57.08420 21.95910 
1 1 1    4    5   38 o  376.372   19.795  346.255   33.752  367.889   43.629  314.007   53.267  392.731   23.770  360.013   31.659 32.71750 39.58933 
1 1 1    4    5   39 o  387.132   25.597  362.605   44.059  343.085   53.959  401.656   76.320  374.966   30.791  399.298   40.898 -24.33212 51.19317 
1 1 1    4    5   40 o  357.164   24.906  311.131   39.401  300.295   48.254  332.810   68.250  351.095   29.408  363.233   40.205 -12.13791 49.81213 
1 1 1    4    5   41 o  160.075   11.493   60.618   8.5850   65.509   12.354   56.050   11.939  166.360   15.890  153.790   16.610 12.56996 22.98694 
1 1 1    4    5   42 o  217.421   16.875  112.284   16.149  119.129   28.340  108.992   19.652  221.180   27.417  213.663   19.681 7.517242 33.74936 
1 1 1    4    5   43 o  135.587   11.717   43.678   7.4213   42.018   10.319   45.457   10.681  132.915   16.611  138.258   16.531 -5.343307 23.43498 
1 1 1    4    5   44 o  333.130   17.940  272.820   27.280  267.522   43.162  276.344   35.203  328.674   28.099  337.586   22.313 -8.911591 35.88065 
1 1 1    4    5   45 o  285.170   19.267  195.595   25.678   0.0000   0.0000  195.595   25.678  ?   ?   285.170   19.267      ?      ? 
1 1 1    4    5   46 o  108.877   16.264   28.327   8.2758   0.0000   0.0000   28.327   8.2758  ?   ?   108.877   16.264      ?      ? 
1 1 1    4    5   47 o  101.703   13.187   27.049   5.9636   11.984   8.4492   42.005   8.4184   70.461   22.628  132.945   13.549 -62.48364 26.37414 
1 1 1    4    5   48 o  318.376   21.131  246.135   27.694  232.094   31.995  288.081   55.301  307.246   22.282  329.507   35.911 -22.26041 42.26206 
1 1 1    4    5   49 o  116.513   12.449   33.461   6.5562   28.340   9.2484   38.634   9.2954  106.312   19.326  126.714   15.696 -20.40176 24.89723 
1 1 1    4    5   50 o  201.908   16.048   96.843   14.399  115.305   25.320   88.018   17.506  214.100   25.305  189.714   19.744 24.38596 32.09600 
1 1 1    4    5   51 o  167.345   17.435   73.753   12.120   79.177   14.885   63.081   20.879  180.665   17.629  154.024   30.085 26.64067 34.86959 
1 1 1    4    5   52 o  246.849   20.465  166.173   19.451  173.363   22.430  144.365   39.063  266.232   18.027  227.465   36.746 38.76723 40.92944 
1 1 1    4    5   53 o   87.027   12.921   19.577   5.0507   21.845   6.4817   16.072   8.0585   95.172   14.573   78.882   21.342 16.28933 25.84232 
1 1 1    4    5   54 o  112.140   12.648   32.982   6.0534   38.846   7.8334   24.288   9.5378  127.309   13.166   96.971   21.599 30.33768 25.29569 
1 1 1    4    5   55 o  125.542   11.109   38.108   6.3558   37.948   8.1364   38.357   10.180  125.691   13.851  125.394   17.372 0.2976074 22.21779 
1 1 1    4    5   56 o   63.058   14.780   9.5719   5.0913   8.0395   6.9660   11.329   7.4599   58.959   20.568   67.157   21.230 -8.197975 29.55936 
1 1 1    4    5   57 o   54.029   14.467   5.7201   5.0055   5.2855   6.8311   6.2240   7.3556   52.576   20.037   55.481   20.874 -2.904728 28.93493 
1 1 1    4    5   58 o  111.325   13.024   31.054   6.5155   24.159   8.9209   38.939   9.5388   96.536   20.411  126.114   16.184 -29.57727 26.04883 
1 1 1    4    5   59 o   56.200   14.659   6.9633   5.0446   8.2938   6.2203   4.4068   8.6224   58.227   19.459   54.173   21.930 4.054878 29.31888 
1 1 1    4    5   60 o   82.739   16.733   14.636   7.4759   33.467   12.451   4.0198   9.3485  110.687   24.697   54.792   22.585 55.89452 33.46665 
1 1 1    4    5   61 o   51.650   16.666  -4.1160   8.8201  -2.0879   11.286  -7.2979   14.137   51.009   22.871   52.290   24.248 -1.281483 33.33212 
1 1 1    4    5   62 o   97.276   17.187   26.348   6.9039   26.826   7.7472   24.506   15.216  103.735   15.980   90.817   30.434 12.91737 34.37455 
1 1 1    4    5   63 o   73.827   16.963   15.856   6.9844   19.265   8.0700   5.6815   13.942   84.360   20.638   63.294   26.926 21.06624 33.92579 
1 1 1    4    5   64 o   88.653   15.883   13.822   6.6560   4.2323   7.5863   45.886   13.872   50.349   20.501  126.958   24.264 -76.60913 31.76570 
1 1 1    4    5   65 o   69.080   18.276   11.971   7.4995   10.025   9.0508   16.235   13.396   62.807   23.248   75.353   28.206 -12.54586 36.55178 
1 1 1    4    5   66 o   98.936   22.639   28.374   10.241   28.374   10.241   0.0000   0.0000   98.936   22.639  ?   ?       ?      ? 
1 1 1    4    5   67 o   77.543   18.305   20.009   7.9615   22.375   9.3070   13.554   15.373   86.394   22.740   68.691   28.692 17.70226 36.61063 
1 1 1    4    5   68 o   66.542   15.987   12.364   5.7073   9.9211   7.0236   17.113   9.7922   59.343   20.656   73.741   24.406 -14.39747 31.97370 
1 1 1    4    5   69 o   79.446   14.181   20.615   6.1299   28.821   7.9479   8.5689   9.6302  102.654   16.567   56.238   23.022 46.41561 28.36282 
1 1 1    4    5   70 o   76.315   16.607   20.394   6.8065   24.746   9.1604   15.029   10.170   87.241   22.363   65.388   24.557 21.85278 33.21354 
1 1 1    4    5   71 f   57.659   14.597   7.8738   6.3629   19.842   8.6690  -6.1038   9.3686   76.726   22.630   38.593   18.445 38.13348 29.19468 
1 1 1    4    5   72 f   61.779   15.801   13.747   5.7841   13.684   7.1781   13.866   9.7676   63.129   20.896   60.428   23.709 2.701180 31.60291 
1 1 1    4    6    1 o  461.675   52.229  530.232  112.692  530.232  112.692   0.0000   0.0000  461.675   52.229  ?   ?       ?      ? 
1 1 1    4    6    2 o  160.409   20.914   60.763   15.679   60.763   15.679   0.0000   0.0000  160.409   20.914  ?   ?       ?      ? 
1 1 1    4    6    3 o  664.639   80.837  1201.21  251.096  1201.21  251.096   0.0000   0.0000  664.639   80.837  ?   ?       ?      ? 
1 1 1    4    6    4 o  666.756   81.802  1220.06  254.902   0.0000   0.0000  1220.06  254.902  ?   ?   666.756   81.802      ?      ? 
1 1 1    4    6    5 o  401.706   45.517  398.109   85.453  398.109   85.453   0.0000   0.0000  401.706   45.517  ?   ?       ?      ? 
1 1 1    4    6    6 o  378.986   42.969  352.797   76.106  352.797   76.106   0.0000   0.0000  378.986   42.969  ?   ?       ?      ? 
1 1 1    4    6    7 o  220.004   19.571  114.348   20.123  114.348   20.123   0.0000   0.0000  220.004   19.571  ?   ?       ?      ? 
1 1 1    4    6    8 o  484.214   27.729  531.017   60.273  427.280   73.787  739.028  104.486  419.082   37.674  549.346   40.698 -130.2635 55.45840 
1 1 1    4    6    9 o  497.701   39.885  645.658   88.316  855.217  124.941  436.393  124.853  587.717   45.488  407.685   65.529 180.0320 79.76934 
1 1 1    4    6   10 o  471.397   30.859  580.905   61.223  456.338  106.043  643.186   74.982  425.133   53.372  517.661   30.993 -92.52844 61.71824 
1 1 1    4    6   11 o  132.163   13.852   42.391   8.1319   53.326   11.566   31.701   11.436  150.516   16.442  113.809   22.298 36.70728 27.70416 
1 1 1    4    6   12 o  255.293   21.181  160.420   24.063  215.779   34.083  105.401   33.978  301.541   24.185  209.045   34.779 92.49591 42.36131 
1 1 1    4    6   13 o   84.104   12.019   20.130   4.3386   25.599   5.2979   8.9941   7.5600  104.494   10.848   63.713   21.452 40.78077 24.03874 
1 1 1    4    6   14 o   84.661   11.008   16.816   4.3553   16.816   4.3553   0.0000   0.0000   84.661   11.008  ?   ?       ?      ? 
1 1 1    4    6   15 o  247.429   17.151  152.958   18.129  165.730   22.191  127.326   31.437  264.834   17.929  230.023   29.243 34.81012 34.30209 
1 1 1    4    6   16 o  464.698   23.365  470.981   45.617  414.271   52.653  641.639   91.339  416.485   27.051  512.910   38.104 -96.42435 46.72975 
1 1 1    4    6   17 o  247.791   15.062  145.571   17.373  160.314   24.562  130.811   24.575  260.530   20.172  235.052   22.371 25.47774 30.12310 
1 1 1    4    6   18 o   85.767   10.203   16.871   3.8224   15.350   4.6822   19.910   6.6182   80.887   12.386   90.648   16.217 -9.761543 20.40632 
1 1 1    4    6   19 o  317.371   15.656  236.114   22.834  227.602   29.477  248.884   36.106  310.570   20.309  324.172   23.832 -13.60184 31.31160 
1 1 1    4    6   20 o  243.719   15.686  140.389   15.410  140.727   17.779  139.367   30.899  244.864   15.536  242.574   27.256 2.290329 31.37291 
1 1 1    4    6   21 o  652.027   32.060  923.067   87.925  807.733  101.503  1269.72  175.974  581.769   37.332  722.286   52.131 -140.5176 64.11977 
1 1 1    4    6   22 o  380.487   26.660  372.585   39.098  398.502   45.143  294.783   78.216  411.373   23.481  349.601   47.872 61.77216 53.32022 
1 1 1    4    6   23 o  525.535   42.366  774.919   85.175  927.764  104.342  469.657  147.458  624.686   35.740  426.384   76.825 198.3019 84.73126 
1 1 1    4    6   24 o  1223.01   73.023  4009.88  416.344  3725.74  588.799  4294.02  588.800  1173.29  107.379  1272.72   98.990 -99.42322 146.0454 
1 1 1    4    6   25 o  400.694   22.131  380.297   41.442  382.796   58.604  377.796   58.613  402.029   31.191  399.358   31.404 2.670746 44.26136 
1 1 1    4    6   26 o  489.746   20.299  555.944   45.820  504.159   59.143  633.695   72.469  462.032   27.390  517.460   29.966 -55.42856 40.59751 
1 1 1    4    6   27 o  460.413   27.786  486.480   57.226  575.331   99.210  442.177   70.055  489.578   43.360  431.248   34.759 58.33029 55.57240 
1 1 1    4    6   28 o  392.684   43.478  370.171   79.790   0.0000   0.0000  370.171   79.790  ?   ?   392.684   43.478      ?      ? 
1 1 1    4    6   29 o  519.964   57.925  665.930  140.762   0.0000   0.0000  665.930  140.762  ?   ?   519.964   57.925      ?      ? 
1 1 1    4    6   30 o  685.019   57.169  1239.15  183.022  1242.67  258.908  1235.63  258.756  686.093   80.746  683.946   80.952 2.146729 114.3374 
1 1 1    4    6   31 o  694.231   33.400  1187.01  105.590  1221.71  136.325  1134.98  166.935  710.769   41.040  677.693   52.707 33.07538 66.80070 
1 1 1    4    6   32 o  223.489   12.767  117.640   13.322  112.141   18.891  123.080   18.789  218.249   18.521  228.730   17.577 -10.48126 25.53362 
1 1 1    4    6   33 o   36.953   10.759   0.9266   3.0053   1.5326   4.1160   0.2346   4.3984   37.853   15.212   36.053   15.220 1.799591 21.51872 
1 1 1    4    6   34 o   91.708   10.385   20.335   4.2726   22.168   5.7381   18.054   6.4008   97.213   12.630   86.203   16.489 11.01031 20.76996 
1 1 1    4    6   35 f  274.031   13.845  176.545   17.411  173.371   22.493  181.290   27.501  271.224   17.745  276.838   21.256 -5.613922 27.68969 
1 1 1    4    6   36 o  303.118   17.523  220.630   24.372  269.357   34.583  172.550   34.352  337.269   21.940  268.966   27.329 68.30292 35.04592 
1 1 1    4    6   37 o  265.013   13.252  162.602   16.185  147.206   20.882  185.768   25.615  249.743   17.891  280.283   19.555 -30.54004 26.50433 
1 1 1    4    6   38 o  119.257   11.176   33.619   6.2022   33.344   9.1834   33.850   8.4101  118.746   16.548  119.768   15.025 -1.022537 22.35127 
1 1 1    4    6   39 o  179.609   14.582   72.882   11.826   62.194   14.600   93.273   20.166  161.692   19.321  197.526   21.845 -35.83435 29.16341 
1 1 1    4    6   40 o  359.379   26.655  326.668   41.758  333.890   51.158  312.250   72.285  369.981   29.587  348.778   44.346 21.20285 53.31013 
1 1 1    4    6   41 o  359.672   20.217  316.929   33.701  271.811   47.653  362.076   47.668  332.825   30.636  386.520   26.389 -53.69427 40.43404 
1 1 1    4    6   42 o  280.519   20.412  192.120   25.252  190.236   30.961  195.865   43.644  280.683   23.602  280.355   33.310 0.3278809 40.82431 
1 1 1    4    6   43 o  220.571   13.682  116.666   14.052  130.079   20.158  103.987   19.599  233.145   18.500  207.996   20.162 25.14925 27.36351 
1 1 1    4    6   44 o  125.454   10.237   36.822   5.9536   33.028   7.8361   42.004   9.1566  117.959   14.214  132.949   14.737 -14.99033 20.47492 
1 1 1    4    6   45 o  211.522   15.998  104.327   15.053  123.992   26.429   94.885   18.314  224.651   25.172  198.394   19.752 26.25708 31.99670 
1 1 1    4    6   46 o  298.144   26.631  233.988   37.102  238.380   52.550  229.623   52.391  301.229   37.328  295.059   37.993 6.170380 53.26182 
1 1 1    4    6   47 o  192.394   11.555   87.294   10.272   79.638   13.363   98.351   16.060  182.446   15.673  202.342   16.983 -19.89531 23.10957 
1 1 1    4    6   48 o   89.565   11.565   21.116   4.5710   9.9087   6.5739   31.605   6.3600   63.727   19.898  115.403   11.792 -51.67599 23.12959 
1 1 1    4    6   49 f  182.525   10.142   79.962   8.6332   74.478   12.248   85.379   12.171  176.120   14.880  188.929   13.785 -12.80901 20.28365 
1 1 1    4    6   50 o  219.282   12.213  112.373   12.301   91.244   15.857  144.310   19.495  194.175   17.473  244.389   17.069 -50.21364 24.42649 
1 1 1    4    6   51 o  232.540   13.036  130.772   13.936  125.408   18.000  138.798   22.017  227.419   16.935  237.661   19.823 -10.24208 26.07206 
1 1 1    4    6   52 o   42.622   12.453  -0.0219   4.1381  -3.3631   5.3111   5.1402   6.6016   33.184   15.196   52.059   19.732 -18.87441 24.90541 
1 1 1    4    6   53 o  103.843   10.284   26.052   4.9725   28.448   7.0158   23.634   7.0487  108.810   13.796   98.876   15.254 9.934395 20.56731 
1 1 1    4    6   54 o   65.615   12.390   10.877   4.2663   4.1947   6.2275   16.788   5.8566   49.253   19.040   81.977   15.860 -32.72394 24.77996 
1 1 1    4    6   55 o   88.293   16.022   18.469   6.5927   12.672   8.2094   28.996   11.063   70.970   22.248  105.616   23.060 -34.64586 32.04305 
1 1 1    4    6   56 o   42.280   13.470  -2.5656   5.3604  -2.1369   6.6094  -3.3896   9.1631   39.287   17.567   45.272   20.426 -5.984833 26.94095 
1 1 1    4    6   57 o   61.076   15.870   8.2415   5.8240   9.4051   7.1005   5.8492   10.181   62.210   20.790   59.941   23.983 2.268505 31.73979 
1 1 1    4    6   58 o  123.816   11.214   36.846   6.4141   32.928   8.3322   42.543   10.049  116.075   15.360  131.557   16.344 -15.48255 22.42845 
1 1 1    4    6   59 o   61.903   15.074   8.9543   5.9032   0.0004   9.6454   14.317   7.4646   50.063   21.849   73.743   20.773 -23.68032 30.14723 
1 1 1    4    6   60 o  201.891   17.437  105.396   15.523  118.428   27.279   99.155   18.878  207.068   28.188  196.713   20.534 10.35583 34.87469 
1 1 1    4    6   61 o   88.349   16.378   23.908   8.4325   34.217   10.111   0.3619   15.281  116.070   18.640   60.629   26.936 55.44056 32.75665 
1 1 1    4    6   62 o   92.814   16.617   16.949   6.5122   10.255   7.3250   42.188   14.224   63.112   21.116  122.516   25.663 -59.40394 33.23400 
1 1 1    4    6   63 o  120.315   18.191   37.659   9.5962   27.709   11.712   57.984   16.739   98.054   25.366  142.575   26.082 -44.52075 36.38285 
1 1 1    4    6   64 o   76.920   16.572   15.932   6.7850   24.550   10.316   9.3622   9.0074   92.363   23.762   61.477   23.106 30.88679 33.14368 
1 1 1    4    6   65 o   75.105   17.055   16.490   7.4223   22.774   9.6714   7.4863   11.577   89.143   23.045   61.067   25.148 28.07637 34.11029 
1 1 1    4    6   66 o   74.160   21.453   16.065   7.8585   16.065   7.8585   0.0000   0.0000   74.160   21.453  ?   ?       ?      ? 
1 1 1    4    6   67 o   89.071   16.504   26.918   7.3530   31.156   8.4423   13.601   14.965  109.001   16.572   69.140   28.545 39.86085 33.00738 
1 1 1    4    6   68 o  118.344   18.416   47.535   8.9657   49.478   10.348   41.684   17.956  135.915   16.291  100.773   33.034 35.14198 36.83291 
1 1 1    4    6   69 o   41.201   12.656   0.5015   4.9024   5.1296   6.3597  -6.2760   7.6960   47.149   18.923   35.253   16.813 11.89608 25.31278 
1 1 1    4    6   70 o   50.317   14.163   4.9844   5.7475  -4.2210   8.5733   12.499   7.7459   38.628   18.222   62.007   21.686 -23.37850 28.32534 
1 1 1    4    6   71 o   65.424   17.463   16.356   7.6186   18.704   9.1923   11.205   13.616   72.417   23.631   58.430   25.717 13.98631 34.92560 
1 1 1    4    6   72 o   49.636   15.153  -1.3672   6.0943  -9.2858   7.0910   21.012   11.921   30.275   14.832   68.996   26.428 -38.72174 30.30550 
1 1 1    4    7    0 o   77.094   13.986   16.410   6.1598   16.410   6.1598   16.410   6.1598   77.094   19.779   77.094   19.779 -0.000000 0.000000 
1 1 1    4    7    1 o  152.882   20.365   55.270   14.551   0.0000   0.0000   55.270   14.551  ?   ?   152.882   20.365      ?      ? 
1 1 1    4    7    2 o  551.841   45.938  799.916  117.893  881.584  166.738  718.274  166.712  583.497   61.144  520.185   68.575 63.31146 91.87569 
1 1 1    4    7    3 f  305.077   24.642  225.175   35.123  231.486   49.683  218.870   49.661  309.499   34.348  300.654   35.343 8.844208 49.28437 
1 1 1    4    7    4 o  510.186   39.753  681.966   87.143  607.743  150.958  719.060  106.720  479.434   67.373  540.937   42.214 -61.50278 79.50540 
1 1 1    4    7    5 o  572.015   37.336  810.270   94.664  877.932  163.975  776.447  115.935  583.224   60.159  560.805   44.234 22.41919 74.67108 
1 1 1    4    7    6 f  547.553   31.717  692.435   72.097  851.990  144.258  639.313   83.238  580.801   53.146  514.305   34.631 66.49615 63.43321 
1 1 1    4    7    7 o  159.541   14.821   60.219   11.050   61.151   15.635   59.290   15.619  160.788   20.807  158.294   21.112 2.494034 29.64237 
1 1 1    4    7    8 o  376.119   23.024  334.398   38.406  358.792   66.569  322.227   47.021  384.662   37.030  367.576   27.372 17.08640 46.04811 
1 1 1    4    7    9 f  506.241   41.038  659.165   94.927  512.343  134.219  806.109  134.275  444.168   64.658  568.315   50.555 -124.1474 82.07626 
1 1 1    4    7   10 o  244.487   20.292  142.771   23.183  140.319   32.785  145.223   32.786  242.341   28.947  246.633   28.444 -4.291428 40.58338 
1 1 1    4    7   11 o  332.158   26.612  270.450   40.685  322.668   57.569  218.346   57.507  365.753   33.679  298.564   41.213 67.18832 53.22424 
1 1 1    4    7   12 o  245.962   20.274  143.286   23.306  143.286   23.306   0.0000   0.0000  245.962   20.274  ?   ?       ?      ? 
1 1 1    4    7   13 o  242.268   14.192  139.260   16.036  149.393   22.691  129.150   22.666  251.205   19.328  233.330   20.786 17.87444 28.38313 
1 1 1    4    7   14 o  226.814   13.971  122.449   14.666  103.052   20.730  141.887   20.752  208.498   21.274  245.130   18.114 -36.63235 27.94105 
1 1 1    4    7   15 o  140.118   9.9116   46.125   6.4900   46.827   9.1852   45.425   9.1714  141.188   13.920  139.047   14.113 2.140823 19.82321 
1 1 1    4    7   16 o  133.038   12.548   45.309   6.8030   50.681   8.3342   34.583   11.777  146.990   12.132  119.086   21.969 27.90308 25.09656 
1 1 1    4    7   17 o  353.884   24.042  295.904   37.746  284.373   46.205  319.039   65.446  345.203   28.640  362.565   38.624 -17.36240 48.08382 
1 1 1    4    7   18 o  372.870   19.838  330.518   34.561  321.511   48.877  339.526   48.876  367.702   28.442  378.039   27.664 -10.33762 39.67699 
1 1 1    4    7   19 o  499.254   32.209  584.997   71.706  664.547  124.265  545.287   87.798  521.763   50.961  476.745   39.405 45.01791 64.41865 
1 1 1    4    7   20 o  285.372   16.569  192.187   22.037  208.550   31.173  175.841   31.157  297.634   22.410  273.110   24.410 24.52408 33.13731 
1 1 1    4    7   21 o  199.235   12.569   87.299   11.213   74.117   13.670  114.399   19.601  177.761   16.455  220.709   19.003 -42.94757 25.13745 
1 1 1    4    7   22 o  536.078   41.764  703.546  104.621  690.646  147.909  716.463  148.004  530.934   59.609  541.223   58.513 -10.28845 83.52856 
1 1 1    4    7   23 o  352.762   24.289  296.887   37.621  299.669   46.073  291.321   65.171  356.240   27.673  349.284   39.924 6.956604 48.57709 
1 1 1    4    7   24 o  563.377   37.683  805.823   90.668  871.316  111.055  674.906  157.013  604.161   39.332  522.593   64.288 81.56848 75.36526 
1 1 1    4    7   25 o  668.745   45.873  1136.50  121.230  1166.31  139.970  1046.97  242.536  697.392   42.945  640.099   81.075 57.29321 91.74664 
1 1 1    4    7   26 o  680.737   57.329  1206.81  175.188  1561.05  247.773  852.675  247.734  792.062   66.935  569.413   93.093 222.6490 114.6582 
1 1 1    4    7   27 o  388.176   28.536  356.238   51.768  356.238   51.768   0.0000   0.0000  388.176   28.536  ?   ?       ?      ? 
1 1 1    4    7   28 o  550.800   43.605  752.318  112.001  697.970  158.390  806.670  158.396  529.688   63.983  571.913   59.261 -42.22577 87.21081 
1 1 1    4    7   29 o  734.888   88.359  1454.88  303.470   0.0000   0.0000  1454.88  303.470  ?   ?   734.888   88.359      ?      ? 
1 1 1    4    7   30 o  296.943   16.876  208.487   23.416  203.985   33.103  212.996   33.128  293.698   24.117  300.188   23.613 -6.490540 33.75230 
1 1 1    4    7   31 o  285.373   13.801  189.416   18.143  178.307   23.466  205.925   28.607  275.250   18.242  295.496   20.714 -20.24561 27.60165 
1 1 1    4    7   32 o   67.319   11.197   10.782   3.4857   7.9761   4.6328   14.443   5.2916   57.556   16.418   77.083   15.229 -19.52735 22.39361 
1 1 1    4    7   33 o  463.701   27.420  483.421   53.011  442.827   61.229  604.926  105.930  430.649   30.422  496.753   45.628 -66.10373 54.84046 
1 1 1    4    7   34 o  410.156   20.553  408.236   38.209  432.185   49.342  372.363   60.388  426.648   24.746  393.665   32.823 32.98230 41.10600 
1 1 1    4    7   35 o  179.196   11.740   79.990   9.2485   94.399   11.995   58.868   14.523  200.529   12.799  157.862   19.685 42.66724 23.48010 
1 1 1    4    7   36 o  333.314   23.391  267.380   34.267  269.162   59.540  266.497   41.902  332.388   38.328  334.239   26.824 -1.851471 46.78270 
1 1 1    4    7   37 o  240.623   14.383  137.805   16.117  151.638   22.858  124.129   22.728  252.843   19.344  228.404   21.292 24.43933 28.76669 
1 1 1    4    7   38 o  159.125   11.856   59.986   8.8124   61.717   12.399   58.220   12.528  161.488   16.428  156.763   17.099 4.724533 23.71237 
1 1 1    4    7   39 o  148.198   15.082   54.618   9.4781   57.708   11.718   48.772   16.120  156.157   16.056  140.239   25.536 15.91821 30.16395 
1 1 1    4    7   40 o  210.567   16.037  101.406   15.161   89.748   18.598  124.503   26.177  193.867   20.526  227.267   24.646 -33.40027 32.07398 
1 1 1    4    7   41 o  216.392   17.632  115.299   16.498  107.618   28.928  119.000   20.084  209.459   29.552  223.325   19.243 -13.86577 35.26454 
1 1 1    4    7   42 o  108.167   12.814   29.202   6.1029   19.701   8.6719   38.526   8.5903   88.801   21.191  127.534   14.413 -38.73251 25.62742 
1 1 1    4    7   43 o  197.575   11.951   92.652   10.855   90.202   14.057   96.271   17.085  194.706   15.448  200.444   18.238 -5.737656 23.90123 
1 1 1    4    7   44 o  353.321   23.457  301.100   37.130  375.728   64.483  264.084   45.414  381.759   36.142  324.882   29.910 56.87790 46.91331 
1 1 1    4    7   45 o  137.059   17.198   46.873   10.748   50.943   15.169   42.771   15.230  144.557   22.453  129.562   26.056 14.99440 34.39541 
1 1 1    4    7   46 o   46.059   13.805   0.4226   5.1310  -0.8950   6.8546   2.1017   7.7383   42.424   18.469   49.694   20.523 -7.270809 27.60937 
1 1 1    4    7   47 o   43.722   12.977   0.9653   4.0088   0.4471   4.6704   2.4158   7.8137   37.160   15.685   50.285   20.678 -13.12437 25.95412 
1 1 1    4    7   48 o  112.132   12.660   31.371   6.3268   24.057   8.9719   38.607   8.9231   97.441   20.358  126.823   15.055 -29.38100 25.31965 
1 1 1    4    7   49 o  103.920   10.799   25.776   5.1710   24.977   6.7263   26.929   8.0856  102.177   14.086  105.663   16.374 -3.486450 21.59870 
1 1 1    4    7   50 o  190.147   12.960   87.952   11.499   94.286   16.370   81.783   16.155  197.131   17.769  183.163   18.872 13.96745 25.92095 
1 1 1    4    7   51 o  111.420   10.609   29.744   5.4481   31.078   8.5077   28.817   7.0932  113.269   16.072  109.571   13.852 3.698448 21.21711 
1 1 1    4    7   52 o   50.128   13.545   4.1685   4.5293   1.5509   6.2937   6.9805   6.5232   44.246   18.409   56.010   19.873 -11.76346 27.08976 
1 1 1    4    7   53 o   87.079   13.199   19.237   5.1394   19.302   8.0524   19.192   6.6760   86.701   20.241   87.457   16.945 -0.7559738 26.39774 
1 1 1    4    7   54 o   47.109   12.264   2.9257   4.0115   8.3539   5.6641  -2.5373   5.6821   58.488   18.500   35.730   16.106 22.75774 24.52865 
1 1 1    4    7   55 o   99.777   12.885   27.386   5.5771   37.696   7.4311   14.089   8.4390  125.438   12.676   74.116   22.438 51.32201 25.77074 
1 1 1    4    7   56 o  197.392   14.229   97.695   13.122   95.403   18.585   99.973   18.531  194.894   20.404  199.890   19.837 -4.996109 28.45719 
1 1 1    4    7   57 o   47.758   13.130   3.1436   4.3359   6.7953   6.4615   0.1523   5.8482   55.228   19.760   40.289   17.296 14.93907 26.26017 
1 1 1    4    7   58 f   73.421   13.299   14.034   4.6430   16.936   6.5414   11.089   6.5913   81.167   17.740   65.676   19.818 15.49127 26.59804 
1 1 1    4    7   59 o   58.267   14.961   7.7573   5.2904   8.9998   7.0929   6.1993   7.9425   60.630   20.777   55.903   21.532 4.726604 29.92166 
1 1 1    4    7   60 o   71.371   18.226   11.741   8.0798   19.230   12.024   5.5764   10.910   83.136   27.022   59.605   24.464 23.53072 36.45107 
1 1 1    4    7   61 o   69.252   17.474   12.335   7.0965   13.029   9.1677   11.298   11.209   70.186   23.623   68.317   25.756 1.869850 34.94847 
1 1 1    4    7   62 o   72.812   17.875   13.507   7.5473   8.8526   10.028   19.588   11.463   62.726   24.185   82.899   26.328 -20.17316 35.74981 
1 1 1    4    7   63 o   64.445   15.828   10.326   6.1157   16.000   8.8704   5.1853   8.4433   75.294   23.049   53.595   21.700 21.69847 31.65636 
1 1 1    4    7   64 o   61.303   15.964   9.4606   5.8445   10.209   7.0353   7.7940   10.499   62.033   20.694   60.574   24.312 1.458984 31.92733 
1 1 1    4    7   65 o   83.042   19.200   20.993   8.6651   26.593   12.882   16.366   11.710   91.892   27.700   74.191   26.595 17.70025 38.40014 
1 1 1    4    7   66 f   45.711   13.563  -2.2445   5.6047   9.9575   8.4259 -11.9279   7.5061   60.169   22.399   31.253   15.300 28.91576 27.12638 
1 1 1    4    7   67 o   56.049   15.430   7.6306   5.8258   8.9658   8.4009   6.3936   8.0860   58.536   22.242   53.562   21.393 4.973698 30.86046 
1 1 1    4    7   68 o   62.973   14.143   10.550   5.8647  -1.4602   8.5384   21.277   8.0693   42.071   19.267   83.876   20.709 -41.80527 28.28551 
1 1 1    4    7   69 o   51.150   15.121   4.7976   6.9607   11.510   8.3294 -10.7433   12.674   60.262   22.303   42.038   20.425 18.22352 30.24249 
1 1 1    4    7   70 o   48.567   15.138   3.7706   6.8059   6.3897   8.8598   0.0000   10.630   51.149   21.598   45.985   21.219 5.164165 30.27698 
1 1 1    4    7   71 o   59.751   16.875   13.256   7.7656   17.549   9.4740   4.4655   13.557   68.273   23.977   51.230   23.752 17.04340 33.75014 
1 1 1    4    8    0 o  535.874   29.347  698.677  102.507  698.677  102.507  698.677  102.507  535.874   41.503  535.874   41.503 -0.000000 0.000000 
1 1 1    4    8    1 o  576.977   40.503  856.548  101.760  873.788  124.631  822.070  176.248  595.126   44.810  558.828   67.484 36.29840 81.00661 
1 1 1    4    8    2 o  1027.92   65.528  3056.32  313.254  3338.95  443.018  2773.72  442.997  1086.74   87.227  969.100   97.812 117.6458 131.0559 
1 1 1    4    8    3 o  820.211   47.388  1766.27  180.998  1612.27  255.963  1920.29  255.977  780.037   70.213  860.385   63.660 -80.34821 94.77601 
1 1 1    4    8    4 f  445.609   19.951  460.823   40.956  561.230   64.793  394.009   52.854  484.789   28.598  406.428   27.826 78.36118 39.90144 
1 1 1    4    8    5 o  242.342   19.339  138.602   21.903   0.0000   0.0000  138.602   21.903  ?   ?   242.342   19.339      ?      ? 
1 1 1    4    8    6 o  112.964   11.952   34.931   4.8786   23.211   9.7536   38.842   5.6340   97.152   21.994  128.776   9.3613 -31.62393 23.90310 
1 1 1    4    8    7 o  268.538   16.644  158.579   20.057  221.066   34.793  127.478   24.547  305.120   24.399  231.956   22.643 73.16359 33.28744 
1 1 1    4    8    8 o  479.218   26.388  558.146   59.070  538.082   83.516  578.230   83.558  470.260   38.000  488.176   36.624 -17.91660 52.77662 
1 1 1    4    8    9 o  327.770   24.904  256.034   38.148  256.034   38.148   0.0000   0.0000  327.770   24.904  ?   ?       ?      ? 
1 1 1    4    8   10 o  195.725   15.968   96.643   13.237  106.544   16.201   76.763   22.958  212.544   16.310  178.906   27.457 33.63826 31.93634 
1 1 1    4    8   11 o  195.935   10.897   90.694   9.9313  101.024   14.069   80.433   14.021  207.176   14.531  184.694   16.244 22.48140 21.79446 
1 1 1    4    8   12 o  460.313   30.375  504.383   62.449  588.141  108.234  462.583   76.461  485.020   47.749  435.605   37.558 49.41489 60.74976 
1 1 1    4    8   13 o  400.945   24.794  378.458   44.233  420.062   76.674  357.704   54.154  415.309   39.503  386.581   29.974 28.72726 49.58777 
1 1 1    4    8   14 o   75.881   10.851   13.701   3.5236   14.086   6.3312   13.528   4.2411   75.816   18.116   75.946   11.949 -0.1293259 21.70146 
1 1 1    4    8   15 o  363.720   29.038  323.390   49.197  352.630   69.595  294.185   69.554  380.906   39.095  346.533   42.947 34.37311 58.07622 
1 1 1    4    8   16 o  436.124   29.395  456.068   56.732  481.549   98.323  443.351   69.461  442.561   47.538  429.687   34.590 12.87396 58.79024 
1 1 1    4    8   17 o  269.677   15.478  162.610   18.704  202.888   32.516  142.691   22.867  293.139   23.735  246.215   19.872 46.92430 30.95525 
1 1 1    4    8   18 o  902.045   72.419  2314.78  272.872  1879.86  472.583  2532.30  334.215  802.414  126.019  1001.68   71.393 -199.2637 144.8372 
1 1 1    4    8   19 o  104.190   13.234   25.922   6.3075   27.303   8.9493   24.558   8.8911  107.849   17.755  100.531   19.628 7.318054 26.46741 
1 1 1    4    8   20 o  283.610   32.168  190.623   42.637  190.623   42.637   0.0000   0.0000  283.610   32.168  ?   ?       ?      ? 
1 1 1    4    8   21 o  401.274   29.595  388.392   54.732  315.357   77.301  461.818   77.506  362.238   45.661  440.310   37.665 -78.07288 59.19093 
1 1 1    4    8   22 o  547.730   42.973  736.890  109.956  713.494  155.503  760.286  155.500  538.590   61.778  556.870   59.749 -18.28021 85.94517 
1 1 1    4    8   23 o  235.644   15.544  127.593   16.245  140.182   28.346  121.436   19.824  243.876   24.870  227.411   18.652 16.46402 31.08760 
1 1 1    4    8   24 o  1068.80   48.607  2609.09  232.319  3898.36  402.544  1965.20  284.477  1249.89   68.912  887.712   68.570 362.1805 97.21487 
1 1 1    4    8   25 o  590.068   40.705  864.405  104.682  816.721  181.235  888.279  128.237  572.488   67.738  607.647   45.156 -35.15900 81.40964 
1 1 1    4    8   26 o  515.020   38.911  633.389   93.657  633.389   93.657   0.0000   0.0000  515.020   38.911  ?   ?       ?      ? 
1 1 1    4    8   27 o  541.076   60.397  723.973  152.727   0.0000   0.0000  723.973  152.727  ?   ?   541.076   60.397      ?      ? 
1 1 1    4    8   28 o  744.996   67.658  1534.80  232.913  1309.80  329.434  1759.69  329.344  680.371  103.605  809.621   87.041 -129.2502 135.3150 
1 1 1    4    8   29 o  120.548   13.515   33.660   5.9395   32.899   6.6264   36.768   13.396  118.480   11.967  122.616   24.236 -4.136452 27.02958 
1 1 1    4    8   30 o  462.890   24.948  514.093   53.967  520.146   76.298  508.032   76.345  465.694   35.057  460.087   35.506 5.607391 49.89600 
1 1 1    4    8   31 f  360.649   18.121  309.536   30.377  272.567   42.907  346.687   43.012  338.668   27.109  382.630   24.053 -43.96201 36.24127 
1 1 1    4    8   32 o  105.199   14.647   29.002   5.9459   31.156   6.8153   22.140   12.167  115.252   12.653   95.146   26.421 20.10580 29.29443 
1 1 1    4    8   33 o  461.870   20.730  495.209   44.103  421.581   56.919  605.815   69.763  420.233   28.982  503.508   29.647 -83.27496 41.45943 
1 1 1    4    8   34 o  109.272   11.121   28.484   5.4119   36.921   7.9289   21.124   7.4050  125.375   13.532   93.168   17.653 32.20701 22.24247 
1 1 1    4    8   35 o  228.368   12.424  120.155   13.096  105.474   16.978  141.728   20.580  211.575   17.170  245.161   17.962 -33.58595 24.84841 
1 1 1    4    8   36 o  239.680   14.135  136.245   15.829  140.502   22.483  132.060   22.289  243.434   19.762  235.927   20.215 7.506241 28.26999 
1 1 1    4    8   37 o  278.023   16.512  195.785   20.115  229.366   25.965  145.384   31.810  310.990   17.865  245.056   27.775 65.93312 33.02392 
1 1 1    4    8   38 o  169.128   16.538   74.497   11.448   84.154   14.142   56.137   19.499  188.583   16.046  149.672   28.923 38.91086 33.07600 
1 1 1    4    8   39 o  261.787   19.104  172.724   19.702  179.297   22.759  153.070   39.353  274.806   17.721  248.768   33.849 26.03865 38.20715 
1 1 1    4    8   40 o   54.299   13.065   2.8439   4.5895  -3.7774   5.8710   13.248   7.3593   35.198   16.065   73.400   20.608 -38.20185 26.12991 
1 1 1    4    8   41 o  163.667   11.922   63.734   9.1112   60.516   12.851   66.985   12.919  159.446   17.246  167.888   16.465 -8.441940 23.84404 
1 1 1    4    8   42 o   94.413   12.186   21.580   5.2196   17.207   7.1548   26.556   7.6314   83.148   18.847  105.678   15.452 -22.52995 24.37166 
1 1 1    4    8   43 o  126.535   11.294   38.150   6.6754   39.854   9.5253   36.505   9.3577  129.344   15.758  123.726   16.183 5.617577 22.58761 
1 1 1    4    8   44 o  219.011   15.991  110.869   15.698  138.430   27.257   97.190   19.202  237.537   24.553  200.484   20.494 37.05249 31.98159 
1 1 1    4    8   45 f  145.116   23.672   51.707   16.054   0.0000   0.0000   51.707   16.054  ?   ?   145.116   23.672      ?      ? 
1 1 1    4    8   46 o  193.277   13.578   82.012   11.033   72.353   12.746  110.877   22.036  173.852   15.688  212.702   22.167 -38.84978 27.15686 
1 1 1    4    8   47 o  289.168   15.560  205.457   20.626  202.242   26.638  210.271   32.596  287.797   19.805  290.539   24.006 -2.741455 31.12068 
1 1 1    4    8   48 o   65.580   13.399   10.450   4.3237   8.5326   5.6795   13.093   6.6682   59.209   18.496   71.951   19.391 -12.74205 26.79795 
1 1 1    4    8   49 o  124.314   11.518   37.217   6.6895   35.833   9.3678   38.658   9.5558  121.921   16.441  126.707   16.137 -4.785606 23.03691 
1 1 1    4    8   50 o  136.047   11.022   46.510   6.6475   52.583   8.5593   37.279   10.553  148.510   12.332  123.584   18.271 24.92548 22.04306 
1 1 1    4    8   51 o  115.349   10.861   32.498   5.7746   34.469   7.7202   29.995   8.7003  119.740   13.796  110.958   16.778 8.781700 21.72147 
1 1 1    4    8   52 o  188.774   12.225   90.211   10.299  102.780   13.424   72.227   16.058  206.788   13.891  170.761   20.122 36.02679 24.45061 
1 1 1    4    8   53 o  131.398   9.8798   41.754   6.0287   37.589   8.6886   45.621   8.3720  124.788   14.898  138.009   12.980 -13.22059 19.75966 
1 1 1    4    8   54 o   57.868   11.005   7.0669   3.8634   15.860   5.4216  -2.0045   5.5068   79.873   15.077   35.863   16.035 44.00983 22.00973 
1 1 1    4    8   55 o   55.040   13.617   6.7558   4.3451   5.0999   5.9022   8.7152   6.4204   50.284   18.742   59.795   19.761 -9.511036 27.23497 
1 1 1    4    8   56 o  117.910   13.144   35.077   6.9677   41.401   9.8505   28.744   9.8571  130.223   16.186  105.598   20.713 24.62447 26.28721 
1 1 1    4    8   57 o  130.023   13.052   42.111   7.9239   42.193   10.982   42.023   11.444  130.339   18.029  129.707   18.879 0.6319427 26.10481 
1 1 1    4    8   58 o   91.373   14.009   21.427   6.1360   11.092   8.3655   33.462   9.0273   66.449   22.565  116.297   16.609 -49.84728 28.01836 
1 1 1    4    8   59 o   63.204   16.841   9.0036   6.7892   5.6763   11.246   10.912   8.5162   60.472   24.831   65.936   22.757 -5.464252 33.68127 
1 1 1    4    8   60 o   57.901   14.430   6.2314   5.0242   13.773   8.2221   1.7373   6.3471   71.806   22.225   43.995   18.411 27.81181 28.86072 
1 1 1    4    8   61 o   48.866   14.617   1.6150   5.8008   4.7212   8.5818  -0.9982   7.8714   53.863   21.853   43.869   19.418 9.993977 29.23389 
1 1 1    4    8   62 o  134.303   11.856   44.219   7.3054   38.556   9.3083   53.303   11.788  123.858   16.081  144.748   17.426 -20.88977 23.71182 
1 1 1    4    8   63 o   90.046   18.078   23.739   7.9344   21.013   10.596   27.218   11.972   84.564   25.039   95.527   26.083 -10.96334 36.15619 
1 1 1    4    8   64 o   49.733   14.721   3.1343   5.6842   4.5473   8.7222   2.0911   7.4942   52.854   21.804   46.613   19.783 6.241043 29.44108 
1 1 1    4    8   65 o   70.339   13.915   12.744   5.9364   25.406   8.3728  -0.0556   8.4180   95.745   19.377   44.933   19.976 50.81235 27.82969 
1 1 1    4    8   66 o   45.331   13.929   1.1046   5.4520   3.8881   8.3985  -0.9227   7.1674   49.991   21.064   40.672   18.232 9.319088 27.85813 
1 1 1    4    8   67 o   59.916   14.233   9.7638   5.2568   15.761   7.2037   2.9325   7.6883   73.192   20.332   46.641   19.922 26.55129 28.46556 
1 1 1    4    8   68 o   76.104   15.795   18.088   6.1649   25.085   9.2813   12.563   8.2471   89.139   22.327   63.069   22.349 26.06996 31.59080 
1 1 1    4    8   69 o   30.947   10.554  -6.8461   4.4151  -7.9472   5.7083  -5.2067   6.9654   27.908   13.593   33.986   16.148 -6.077703 21.10740 
1 1 1    4    8   70 o   72.105   14.674   12.158   6.4228   35.074   10.671  -0.8606   8.0428  103.588   22.671   40.621   18.638 62.96690 29.34890 
1 1 1    4    8   71 o   45.878   14.120   4.4580   5.7105   2.4031   8.7714   5.9697   7.5234   44.167   19.951   47.589   19.988 -3.422226 28.24081 
1 1 1    4    9    0 o  156.068   10.784   58.714   10.880   58.714   10.880   58.714   10.880  156.068   15.250  156.068   15.250 -0.000000 0.000000 
1 1 1    4    9    1 o  307.540   17.135  224.801   24.625  229.366   34.834  220.240   34.815  310.714   23.988  304.367   24.475 6.347107 34.27074 
1 1 1    4    9    2 o   39.421   10.064   2.9296   2.4324   1.5678   3.5472   4.1383   3.3419   35.780   14.208   43.062   14.258 -7.282589 20.12832 
1 1 1    4    9    3 o  127.090   8.9757   38.913   5.1327   33.829   8.1474   42.258   6.6091  119.932   14.536  134.248   10.534 -14.31583 17.95147 
1 1 1    4    9    4 o   58.003   8.6106   8.1417   2.3058   6.0628   3.2595   10.224   3.2621   49.981   13.594   66.026   10.572 -16.04523 17.22111 
1 1 1    4    9    5 o  141.483   13.847   47.083   9.1557   0.0000   0.0000   47.083   9.1557  ?   ?   141.483   13.847      ?      ? 
1 1 1    4    9    6 o  469.470   55.127  569.945  120.952   0.0000   0.0000  569.945  120.952  ?   ?   469.470   55.127      ?      ? 
1 1 1    4    9    7 o  402.396   21.447  391.059   40.236  421.216   56.894  360.885   56.911  418.438   29.093  386.353   31.519 32.08466 42.89338 
1 1 1    4    9    8 o  243.762   13.379  140.641   15.211  130.240   21.479  151.107   21.545  234.607   19.590  252.916   18.228 -18.30838 26.75863 
1 1 1    4    9    9 o  480.546   22.817  559.603   50.738  471.792   71.731  647.533   71.779  441.425   34.770  519.667   29.555 -78.24188 45.63380 
1 1 1    4    9   10 o  420.427   24.882  400.315   46.981  529.115   81.465  336.132   57.507  467.064   37.321  373.789   32.919 93.27466 49.76489 
1 1 1    4    9   11 o  208.864   11.919  102.944   11.590   92.556   16.383  113.351   16.398  198.212   17.685  219.515   15.984 -21.30273 23.83818 
1 1 1    4    9   12 o  173.575   15.487   71.277   12.560   73.600   17.888   69.018   17.640  176.384   21.699  170.766   22.103 5.617828 30.97408 
1 1 1    4    9   13 o  157.511   15.521   63.489   9.9688   49.523   17.357   70.364   12.178  141.994   27.145  173.028   15.059 -31.03415 31.04204 
1 1 1    4    9   14 o  393.341   30.989  408.646   50.516  296.434   87.484  464.776   61.874  345.084   54.245  441.599   29.980 -96.51492 61.97855 
1 1 1    4    9   15 o  513.831   26.854  633.192   64.471  648.583   91.186  617.808   91.167  520.237   37.504  507.425   38.443 12.81274 53.70740 
1 1 1    4    9   16 o  625.854   32.423  947.797   94.470  854.935  133.593  1040.68  133.609  594.103   48.115  657.604   43.474 -63.50146 64.84604 
1 1 1    4    9   17 o  190.108   16.961   86.241   14.756  106.586   20.920   66.095   20.817  212.891   21.026  167.325   26.621 45.56604 33.92255 
1 1 1    4    9   18 o  822.023   44.237  1664.38  169.919  1632.30  240.303  1696.46  240.300  813.673   63.193  830.373   61.921 -16.70056 88.47323 
1 1 1    4    9   19 o  385.199   31.953  359.314   56.745  425.015   80.208  293.476   80.291  421.738   40.694  348.659   49.275 73.07870 63.90610 
1 1 1    4    9   20 o  281.713   20.670  190.129   25.446  195.011   31.153  180.345   44.107  287.826   23.159  275.600   34.244 12.22644 41.34025 
1 1 1    4    9   21 f  454.696   35.283  500.639   74.755  543.833  105.758  457.509  105.681  475.001   47.640  434.390   52.056 40.61108 70.56521 
1 1 1    4    9   22 o  346.995   32.941  339.855   43.365  193.050   75.135  413.186   53.102  275.663   60.022  418.327   27.162 -142.6638 65.88145 
1 1 1    4    9   23 f  799.789   49.513  1547.52  185.072   0.0000   0.0000  1547.52  185.072  ?   ?   799.789   49.513      ?      ? 
1 1 1    4    9   24 o  599.148   41.583  859.798  116.437   0.0000   0.0000  859.798  116.437  ?   ?   599.148   41.583      ?      ? 
1 1 1    4    9   25 o  410.609   32.102  405.887   61.603  403.525   87.114  408.250   87.126  409.379   45.532  411.839   45.267 -2.460602 64.20490 
1 1 1    4    9   26 o  361.905   40.387  314.521   68.310  314.521   68.310   0.0000   0.0000  361.905   40.387  ?   ?       ?      ? 
1 1 1    4    9   27 o  201.666   25.565   96.279   24.094   96.279   24.094   0.0000   0.0000  201.666   25.565  ?   ?       ?      ? 
1 1 1    4    9   28 o  329.632   26.492  261.294   40.810  261.832   57.421  260.745   58.011  330.034   37.228  329.231   37.702 0.8030396 52.98479 
1 1 1    4    9   29 o  240.251   14.024  136.157   15.728  143.069   22.176  129.161   22.310  246.450   19.254  234.051   20.396 12.39877 28.04831 
1 1 1    4    9   30 o  437.377   20.869  458.827   41.631  469.648   53.735  442.579   65.844  444.878   25.845  429.876   32.774 15.00113 41.73842 
1 1 1    4    9   31 o  272.806   13.918  172.975   17.479  161.848   22.554  189.707   27.659  262.134   18.410  283.478   20.877 -21.34415 27.83507 
1 1 1    4    9   32 o  526.297   26.791  673.895   64.366  684.482   83.091  658.011  101.780  533.620   33.318  518.974   41.964 14.64575 53.58228 
1 1 1    4    9   33 o  261.088   21.868  163.735   26.622  150.680   37.513  176.982   37.789  250.335   32.064  271.840   29.744 -21.50443 43.73564 
1 1 1    4    9   34 o  208.457   12.968  103.054   12.464   82.801   17.426  124.265   17.834  187.199   19.918  229.715   16.611 -42.51682 25.93607 
1 1 1    4    9   35 o  491.576   39.247  684.835   71.943  741.818   83.060  513.682  143.951  553.045   32.136  430.106   71.614 122.9388 78.49359 
1 1 1    4    9   36 o  143.680   11.325   48.955   7.4745   37.886   10.334   61.096   10.824  126.436   17.489  160.925   14.392 -34.48840 22.64938 
1 1 1    4    9   37 o  178.981   11.152   75.856   9.0678   76.155   11.559   75.377   14.622  179.697   13.764  178.265   17.551 1.431717 22.30390 
1 1 1    4    9   38 o  137.069   14.374   47.004   7.4894   48.421   8.6148   42.618   15.156  143.350   12.859  130.788   25.712 12.56265 28.74783 
1 1 1    4    9   39 o   90.050   13.417   18.872   5.0298   17.366   5.9142   22.809   9.5618   84.363   15.574   95.737   21.852 -11.37335 26.83406 
1 1 1    4    9   40 o  172.253   14.027   68.122   10.803   61.781   13.214   80.902   18.759  161.095   17.551  183.411   21.885 -22.31631 28.05321 
1 1 1    4    9   41 o  258.345   15.430  161.296   18.624  166.228   26.383  156.396   26.295  262.402   21.514  254.289   22.126 8.113281 30.86068 
1 1 1    4    9   42 o  175.624   11.225   72.418   9.0966   67.152   11.799   80.136   14.284  168.045   15.023  183.204   16.683 -15.15855 22.45014 
1 1 1    4    9   43 o  255.495   20.548  167.175   22.555  150.664   39.369  175.243   27.520  242.323   34.763  268.667   21.917 -26.34416 41.09525 
1 1 1    4    9   44 o  196.631   19.872   98.721   17.061  132.620   24.648   67.538   23.639  232.987   22.636  160.274   32.668 72.71272 39.74368 
1 1 1    4    9   45 o   68.810   13.204   6.5463   4.5152   0.7759   5.2054   24.080   9.0738   39.743   16.656   97.877   20.494 -58.13401 26.40825 
1 1 1    4    9   46 o   73.891   13.564   15.181   4.9848   19.040   5.8670   5.1658   9.4524   89.303   14.057   58.480   23.202 30.82313 27.12832 
1 1 1    4    9   47 o  176.355   14.390   73.114   11.393   65.311   13.992   88.467   19.627  163.829   18.274  188.880   22.234 -25.05106 28.78025 
1 1 1    4    9   48 o   95.590   15.561   23.611   6.6008   24.996   8.0186   20.701   11.626  101.743   16.864   89.438   26.157 12.30459 31.12205 
1 1 1    4    9   49 o  222.403   14.186  121.561   14.722  114.216   20.834  128.885   20.805  215.339   20.702  229.468   19.400 -14.12889 28.37104 
1 1 1    4    9   50 o  217.322   12.799  117.963   12.577  126.959   16.306  104.754   19.759  229.218   15.222  205.426   20.581 23.79196 25.59849 
1 1 1    4    9   51 o  266.741   16.317  180.349   20.059  214.905   28.612  146.947   28.130  293.821   20.837  239.661   25.115 54.16060 32.63316 
1 1 1    4    9   52 o  176.708   12.809   76.496   10.576   78.050   15.117   75.005   14.803  178.461   18.125  174.955   18.104 3.505966 25.61765 
1 1 1    4    9   53 f  199.067   11.967   94.372   11.006   82.460   14.318  111.573   17.207  184.182   16.634  213.952   17.208 -29.76959 23.93396 
1 1 1    4    9   54 f   71.084   14.723   12.888   5.2301   11.116   7.2887   14.769   7.5091   66.554   20.979   75.614   20.662 -9.059975 29.44513 
1 1 1    4    9   55 o  128.497   19.087   41.068   11.463   41.068   11.463   0.0000   0.0000  128.497   19.087  ?   ?       ?      ? 
1 1 1    4    9   56 o   78.704   16.273   14.234   6.1274   10.002   7.3907   23.537   10.958   63.755   21.208   93.652   24.687 -29.89683 32.54583 
1 1 1    4    9   57 o   82.951   17.670   18.279   6.9681   18.540   13.196   18.178   8.2052   82.969   28.340   82.933   21.115 0.3658295E-01 35.34068 
1 1 1    4    9   58 f   44.660   18.064   2.7027   5.8443   0.0000   0.0000   2.7027   5.8443  ?   ?    44.660   18.064      ?      ? 
1 1 1    4    9   59 o   46.256   18.186   3.6456   5.7584   0.0000   0.0000   3.6456   5.7584  ?   ?    46.256   18.186      ?      ? 
1 1 1    4    9   60 o   39.830   12.936  -4.5762   5.5812  -8.6736   8.5366  -1.5174   7.3759   37.775   17.927   41.886   18.655 -4.111534 25.87278 
1 1 1    4    9   61 o   69.531   14.927   12.399   5.1495   10.390   6.4809   15.838   8.4810   63.005   19.770   76.057   22.369 -13.05204 29.85358 
1 1 1    4    9   62 o   60.155   14.572   8.7837   5.2694   3.6771   7.4404   13.923   7.4638   49.220   20.202   71.089   21.006 -21.86866 29.14439 
1 1 1    4    9   63 o   50.446   14.465   1.9092   5.8002   9.7643   8.4642  -5.0452   7.9642   61.907   22.552   38.986   18.120 22.92091 28.92967 
1 1 1    4    9   64 o   83.956   14.805   19.217   5.6757   23.120   9.1945   16.815   7.2144   90.051   22.029   77.862   19.785 12.18893 29.60941 
1 1 1    4    9   65 o   43.898   13.730   0.1315   5.6444  -3.0376   8.4439   2.6915   7.5890   41.256   18.991   46.541   19.834 -5.285126 27.45997 
1 1 1    4    9   66 o   46.700   14.232   2.3301   5.5041  -1.2398   9.8885   3.9326   6.6253   46.454   21.065   46.947   19.142 -0.4924278 28.46367 
1 1 1    4    9   67 f   53.741   14.548   7.1970   5.1037   11.208   7.9866   4.4285   6.6353   60.845   21.946   46.637   19.103 14.20760 29.09525 
1 1 1    4    9   68 o   63.946   14.068   12.664   4.7948   9.5230   7.0337   15.391   6.5535   56.437   20.558   71.455   19.210 -15.01748 28.13651 
1 1 1    4    9   69 o   48.352   13.914   5.6583   4.9689   7.1575   7.0497   4.1782   7.0046   51.020   20.102   45.684   19.242 5.336102 27.82712 
1 1 1    4    9   70 o   47.862   14.083   4.0591   5.3576   11.352   8.4103  -0.9212   6.9503   57.909   22.194   37.814   17.342 20.09441 28.16557 
1 1 1    4   10    0 f  294.083   17.104  207.963   32.727  207.963   32.727  207.963   32.727  294.083   24.188  294.083   24.188 -0.000000 0.000000 
1 1 1    4   10    1 o  248.863   13.838  147.361   15.935  123.685   22.524  171.085   22.546  228.488   21.093  269.238   17.918 -40.75085 27.67629 
1 1 1    4   10    2 o  219.898   12.806  114.410   13.108  126.245   18.548  102.603   18.527  231.399   17.151  208.397   19.023 23.00259 25.61298 
1 1 1    4   10    3 o  395.447   27.491  394.568   46.770  419.541   57.291  344.674   80.981  418.484   29.293  372.409   46.529 46.07535 54.98179 
1 1 1    4   10    4 o  526.945   40.655  679.123  100.120  679.123  100.120   0.0000   0.0000  526.945   40.655  ?   ?       ?      ? 
1 1 1    4   10    5 o  218.943   18.453  114.607   18.736   98.319   26.452  131.006   26.541  202.977   27.885  234.909   24.176 -31.93172 36.90555 
1 1 1    4   10    6 o  381.541   19.995  343.780   35.654   0.0000   0.0000  343.780   35.654  ?   ?   381.541   19.995      ?      ? 
1 1 1    4   10    7 o  432.919   23.110  450.959   46.610  410.807   65.908  491.133   65.926  413.070   34.140  452.768   31.156 -39.69818 46.21953 
1 1 1    4   10    8 o  290.959   18.466  208.540   21.303  187.398   42.524  215.624   24.615  279.345   32.573  302.573   17.407 -23.22845 36.93202 
1 1 1    4   10    9 o  432.195   24.011  449.748   48.499  451.149   68.572  448.346   68.603  432.892   33.894  431.499   34.019 1.393860 48.02193 
1 1 1    4   10   10 o  754.344   44.573  1464.18  156.647  1342.61  221.525  1585.76  221.541  719.864   65.846  788.825   60.094 -68.96191 89.14580 
1 1 1    4   10   11 o  601.772   40.441  874.987  108.717  1022.95  188.294  800.994  133.154  633.722   63.576  569.822   50.000 63.90009 80.88251 
1 1 1    4   10   12 o  191.536   11.746   86.642   10.425   73.675   14.733   99.647   14.754  177.030   17.807  206.042   15.322 -29.01247 23.49144 
1 1 1    4   10   13 o  326.818   21.913  246.950   31.885  275.220   55.306  232.876   39.024  339.788   34.828  313.849   26.605 25.93866 43.82693 
1 1 1    4   10   14 o  513.544   26.609  631.703   63.476  553.212   89.754  710.243   89.782  480.832   39.941  546.256   35.168 -65.42484 53.21725 
1 1 1    4   10   15 o  635.399   38.731  938.642  110.279  1145.24  191.086  835.469  135.036  682.872   59.875  587.925   49.145 94.94647 77.46160 
1 1 1    4   10   16 o  298.494   17.109  209.958   23.852  201.396   33.725  218.529   33.740  292.354   24.683  304.635   23.699 -12.28104 34.21791 
1 1 1    4   10   17 o  411.324   45.420  406.483   87.312   0.0000   0.0000  406.483   87.312  ?   ?   411.324   45.420      ?      ? 
1 1 1    4   10   18 o  368.049   23.965  319.357   38.954  314.946   47.698  328.190   67.499  365.172   27.948  370.925   38.938 -5.752991 47.92980 
1 1 1    4   10   19 o  328.284   25.913  256.895   39.656  277.812   56.121  236.036   56.044  341.894   35.123  314.673   38.109 27.22092 51.82541 
1 1 1    4   10   20 o  282.332   22.928  189.277   30.189  175.329   42.706  203.210   42.682  271.765   33.624  292.898   31.181 -21.13300 45.85629 
1 1 1    4   10   21 o  665.821   32.436  980.154   96.700  1437.58  167.640  752.057  118.380  772.500   46.434  559.141   45.302 213.3595 64.87187 
1 1 1    4   10   22 o  380.178   42.350  346.511   75.245   0.0000   0.0000  346.511   75.245  ?   ?   380.178   42.350      ?      ? 
1 1 1    4   10   23 o  293.281   24.424  204.850   33.394  219.896   47.025  189.545   47.428  304.374   33.058  282.188   35.963 22.18582 48.84883 
1 1 1    4   10   24 o  520.374   40.629  679.948   94.744  891.662  134.034  468.525  133.942  607.360   47.220  433.387   66.130 173.9727 81.25813 
1 1 1    4   10   25 o  248.979   19.745  145.903   22.975  145.903   22.975   0.0000   0.0000  248.979   19.745  ?   ?       ?      ? 
1 1 1    4   10   26 o  691.355   49.352  1237.12  148.704  1256.74  182.141  1197.91  257.516  711.742   54.757  670.968   82.122 40.77448 98.70365 
1 1 1    4   10   27 o  438.746   23.836  466.216   47.863  359.745   67.632  573.046   67.745  386.742   37.418  490.750   29.538 -104.0080 47.67188 
1 1 1    4   10   28 o  223.668   18.653  129.700   17.169  147.207   20.873   93.071   30.192  250.105   17.857  197.232   32.754 52.87253 37.30561 
1 1 1    4   10   29 o  170.814   16.808   75.007   11.504   82.409   13.864   58.643   20.614  187.246   15.843  154.381   29.648 32.86482 33.61573 
1 1 1    4   10   30 o  213.031   18.314  112.117   16.624  119.569   20.192   96.439   29.288  225.222   19.183  200.840   31.203 24.38220 36.62813 
1 1 1    4   10   31 o   95.810   11.402   21.651   4.9771   19.521   6.6135   24.432   7.5580   89.707   16.378  101.913   15.868 -12.20605 22.80477 
1 1 1    4   10   32 o  509.837   27.191  633.565   64.631  682.654   91.402  584.477   91.402  530.439   36.871  489.236   39.976 41.20364 54.38272 
1 1 1    4   10   33 o  266.664   15.364  168.505   19.134  174.815   26.970  162.111   27.151  271.773   21.234  261.555   22.211 10.21799 30.72798 
1 1 1    4   10   34 o  357.845   17.772  304.672   29.180  297.750   37.655  315.078   46.168  353.523   22.791  362.167   27.277 -8.644012 35.54494 
1 1 1    4   10   35 o  397.107   25.941  395.681   41.007  400.114   47.306  382.281   82.247  407.988   24.810  386.226   45.566 21.76221 51.88215 
1 1 1    4   10   36 o  290.054   19.175  199.367   22.545  195.066   25.970  212.521   45.418  286.297   19.410  293.810   33.076 -7.513214 38.35061 
1 1 1    4   10   37 o  320.238   17.096  250.260   24.829  263.474   32.045  230.411   39.274  332.218   20.639  308.259   27.262 23.95978 34.19297 
1 1 1    4   10   38 f  106.514   12.728   22.823   5.5041   18.572   6.2384   37.758   11.693   87.252   15.884  125.776   19.892 -38.52456 25.45611 
1 1 1    4   10   39 o  131.913   17.320   50.256   9.2799   61.736   11.282   26.239   16.318  161.453   14.952  102.374   31.247 59.07925 34.64025 
1 1 1    4   10   40 o  102.951   15.298   26.031   6.7523   26.004   8.1089   26.093   12.194  104.478   16.607  101.423   25.696 3.055191 30.59570 
1 1 1    4   10   41 o  292.609   20.623  210.990   26.636  220.663   46.181  206.169   32.606  294.645   33.536  290.572   24.010 4.072388 41.24554 
1 1 1    4   10   42 o  176.395   17.226   74.442   14.201   0.0000   0.0000   74.442   14.201  ?   ?   176.395   17.226      ?      ? 
1 1 1    4   10   43 o   53.125   14.945   2.9066   5.2078   7.4224   9.4940   0.9631   6.2285   62.769   23.694   43.480   18.220 19.28871 29.88938 
1 1 1    4   10   44 o  199.112   16.461   98.033   14.316   99.343   17.504   95.385   24.882  202.941   18.455  195.283   27.264 7.658005 32.92283 
1 1 1    4   10   45 o   72.825   11.304   6.9266   4.4637  -1.9461   5.2759   29.276   8.3733   35.267   15.737  110.383   16.231 -75.11565 22.60786 
1 1 1    4   10   46 o  149.613   10.860   53.591   7.4604   52.650   9.6557   54.984   11.752  148.362   13.926  150.864   16.667 -2.501511 21.71929 
1 1 1    4   10   47 o  257.620   18.700  172.202   19.012  176.769   21.975  158.609   37.910  270.211   17.401  245.029   33.105 25.18233 37.39949 
1 1 1    4   10   48 o   66.127   13.269   11.100   4.2776   12.173   5.4813   9.4289   6.8412   69.621   16.995   62.634   20.384 6.987133 26.53891 
1 1 1    4   10   49 o   51.668   13.756   5.1554   4.5999   7.5164   5.4397  -0.7701   8.6175   56.005   18.174   47.330   20.654 8.674572 27.51118 
1 1 1    4   10   50 o  118.258   10.306   33.029   5.6227   29.499   7.2743   38.269   8.8623  110.702   14.060  125.814   15.072 -15.11230 20.61212 
1 1 1    4   10   51 o  254.445   14.116  159.771   16.460  158.016   21.273  162.390   25.984  254.086   17.915  254.805   21.820 -0.7184906 28.23174 
1 1 1    4   10   52 o  148.618   11.598   56.665   7.5650   67.942   9.9024   40.858   11.724  168.562   12.570  128.674   19.496 39.88846 23.19666 
1 1 1    4   10   53 o  185.581   14.713   83.959   11.106   82.095   12.835   89.515   22.155  184.356   14.897  186.806   25.377 -2.450089 29.42694 
1 1 1    4   10   54 o  103.278   15.566   25.360   6.5111   22.564   7.4926   33.984   13.158   94.330   17.644  112.226   25.648 -17.89618 31.13137 
1 1 1    4   10   55 o  166.706   18.902   68.940   14.727   68.940   14.727   0.0000   0.0000  166.706   18.902  ?   ?       ?      ? 
1 1 1    4   10   56 o   66.350   15.052   5.2031   6.5674   23.344   10.371  -6.9404   8.4854   93.132   23.753   39.567   18.494 53.56519 30.10401 
1 1 1    4   10   57 f  149.027   18.075   55.566   12.589   0.0000   0.0000   55.566   12.589  ?   ?   149.027   18.075      ?      ? 
1 1 1    4   10   58 o   68.424   15.958   4.0241   6.4146   26.904   12.355  -4.4191   7.5054   97.865   26.404   38.984   17.930 58.88161 31.91664 
1 1 1    4   10   59 o   53.830   14.779   4.8793   5.0278   8.9030   8.9729   3.0377   6.0703   61.992   23.108   45.667   18.431 16.32428 29.55804 
1 1 1    4   10   60 o   40.845   13.175  -3.8070   5.6441  -7.2297   8.4918  -1.0985   7.5541   38.833   18.262   42.858   18.994 -4.025215 26.34954 
1 1 1    4   10   61 o   77.673   15.222   17.063   7.3592   29.171   9.3293  -2.8811   11.974  104.503   19.827   50.842   23.103 53.66018 30.44481 
1 1 1    4   10   62 o   79.263   14.605   17.666   5.5529   20.834   7.5326   13.894   8.2182   87.954   18.889   70.573   22.280 17.38097 29.20917 
1 1 1    4   10   63 o   43.499   12.804   0.8122   4.4475   5.9137   6.8622  -2.8828   5.8402   52.142   20.032   34.856   15.952 17.28567 25.60788 
1 1 1    4   10   64 o   61.013   14.539   10.196   4.9906   12.824   7.1541   7.7059   6.9652   66.980   20.732   55.047   20.391 11.93360 29.07894 
1 1 1    4   10   65 o   45.393   13.587   2.3256   5.0691   4.5387   6.7980  -0.4461   7.6077   48.383   19.513   42.403   18.911 5.980370 27.17308 
1 1 1    4   10   66 o   60.885   14.504   10.744   4.9493   8.8085   7.1433   12.532   6.8636   56.499   20.697   65.271   20.324 -8.772469 29.00723 
1 1 1    4   10   67 o   45.254   13.669   0.7605   5.1412  -3.9493   6.4307   9.1032   8.5587   34.113   15.994   56.395   22.172 -22.28260 27.33871 
1 1 1    4   10   68 o   43.094   13.284  -0.1940   5.1959  -5.7184   6.7237   7.9956   8.1865   32.860   15.683   53.327   21.446 -20.46679 26.56846 
1 1 1    4   10   69 o   61.926   12.664   8.3693   5.2147  -4.3465   7.0119   24.105   7.8002   34.737   16.415   89.116   19.288 -54.37864 25.32756 
1 1 1    4   10   70 o   56.910   15.911   11.648   6.6583   5.7708   11.346   14.734   8.2229   50.124   22.662   63.696   22.340 -13.57217 31.82198 
1 1 1    4   11    0 o   94.126   9.5652   21.992   5.5939   21.992   5.5939   21.992   5.5939   94.126   13.527   94.126   13.527 -0.000000 0.000000 
1 1 1    4   11    1 o  239.657   13.885  135.585   15.549  138.444   21.997  132.730   21.982  242.207   19.433  237.107   19.838 5.100296 27.76998 
1 1 1    4   11    2 o  182.583   15.076   83.967   11.659   93.315   14.306   65.479   20.120  199.221   15.366  165.944   25.943 33.27628 30.15185 
1 1 1    4   11    3 o  307.111   20.945  222.922   28.460  233.075   49.304  217.848   34.852  311.247   33.895  302.975   24.614 8.272278 41.88945 
1 1 1    4   11    4 o  298.677   23.337  236.326   26.417  174.636   52.833  256.890   30.504  267.414   42.275  329.940   19.782 -62.52505 46.67427 
1 1 1    4   11    5 o  218.384   15.638  116.760   13.528  105.133   27.092  120.621   15.613  210.169   27.583  226.598   14.743 -16.42902 31.27575 
1 1 1    4   11    6 o  241.691   15.486  131.920   15.423  151.013   30.919  125.596   17.796  252.256   26.227  231.126   16.475 21.12991 30.97181 
1 1 1    4   11    7 o  130.804   11.512   39.671   6.6628   41.848   11.583   38.594   8.1452  133.342   18.587  128.267   13.588 5.074097 23.02409 
1 1 1    4   11    8 o  594.195   38.721  833.980  103.031  1004.97  178.450  748.481  126.188  634.630   60.166  553.760   48.759 80.87018 77.44296 
1 1 1    4   11    9 f  585.487   29.729  832.384   79.238  790.209  125.273  860.510  102.302  570.899   46.952  600.073   36.479 -29.17401 59.45734 
1 1 1    4   11   10 o  257.584   19.003  159.988   21.299  147.764   36.941  166.075   26.069  249.499   31.681  265.670   20.996 -16.17105 38.00657 
1 1 1    4   11   11 o  312.856   29.454  272.612   35.267  328.801   43.199  160.321   61.069  373.422   24.753  252.289   53.456 121.1335 58.90840 
1 1 1    4   11   12 o  990.753   75.361  2770.67  313.701  3005.17  384.224  2301.82  543.288  1090.91   75.362  890.601  130.528 200.3043 150.7220 
1 1 1    4   11   13 o  238.291   14.329  134.156   15.826  114.457   22.381  153.857   22.382  220.602   21.709  255.981   18.709 -35.37929 28.65811 
1 1 1    4   11   14 o  211.976   25.517  105.932   25.279   0.0000   0.0000  105.932   25.279  ?   ?   211.976   25.517      ?      ? 
1 1 1    4   11   15 o  282.044   27.529  199.943   33.071  277.468   46.737  122.202   46.801  342.597   29.190  221.491   46.684 121.1059 55.05898 
1 1 1    4   11   16 o  718.671   48.656  1266.23  154.751  1225.71  189.515  1347.31  268.083  708.451   57.239  728.892   78.698 -20.44116 97.31208 
1 1 1    4   11   17 o  425.691   32.623  439.174   64.078  517.901   90.693  360.702   90.546  465.188   41.716  386.193   50.167 78.99530 65.24558 
1 1 1    4   11   18 o  470.687   36.897  537.695   81.136  521.830  114.774  553.542  114.713  463.474   52.988  477.899   51.361 -14.42566 73.79475 
1 1 1    4   11   19 o  483.218   39.042  623.053   77.534  436.120  134.294  716.518   94.959  418.071   68.733  548.365   37.053 -130.2939 78.08397 
1 1 1    4   11   20 o  295.056   25.134  205.293   34.658   0.0000   0.0000  205.293   34.658  ?   ?   295.056   25.134      ?      ? 
1 1 1    4   11   21 o  570.667   46.280  808.688  123.203  861.134  174.139  756.125  174.333  590.373   63.114  550.961   67.704 39.41205 92.55952 
1 1 1    4   11   22 o  251.040   29.122  149.142   34.167   0.0000   0.0000  149.142   34.167  ?   ?   251.040   29.122      ?      ? 
1 1 1    4   11   23 o  201.390   18.089   97.457   16.581  122.698   23.463   72.277   23.435  228.174   22.003  174.606   28.719 53.56799 36.17875 
1 1 1    4   11   24 o  870.702   56.308  1901.64  219.729  1673.71  269.115  2357.48  380.576  805.870   71.454  935.534   87.044 -129.6639 112.6161 
1 1 1    4   11   25 o  152.221   12.872   54.181   8.7447   53.401   10.825   55.646   14.835  150.803   15.360  153.639   20.661 -2.836319 25.74484 
1 1 1    4   11   26 o  172.405   13.091   69.462   9.6550   68.721   11.504   71.226   17.758  171.111   14.386  173.699   21.875 -2.587250 26.18155 
1 1 1    4   11   27 f  220.826   17.788  119.426   16.999  104.851   29.322  126.806   20.863  209.684   29.921  231.967   19.245 -22.28323 35.57582 
1 1 1    4   11   28 o   94.519   11.170   21.821   4.6816   28.133   6.6140   15.484   6.6274  109.511   12.923   79.527   18.222 29.98347 22.33946 
1 1 1    4   11   29 o  420.771   38.353  457.562   69.922  603.618   98.871  311.423   98.900  497.337   42.538  344.205   63.830 153.1322 76.70582 
1 1 1    4   11   30 o  167.191   11.922   66.425   9.2153   76.318   12.897   56.104   13.172  180.140   15.319  154.243   18.273 25.89676 23.84488 
1 1 1    4   11   31 o  131.305   17.232   48.945   8.9567   58.055   10.663   27.121   16.505  157.160   14.518  105.450   31.257 51.71023 34.46419 
1 1 1    4   11   32 o  354.615   24.264  315.214   37.062  272.951   63.961  336.576   45.474  333.464   41.042  375.767   25.894 -42.30252 48.52760 
1 1 1    4   11   33 o  294.721   16.911  207.937   23.250  221.646   32.827  194.137   32.934  304.718   23.051  284.724   24.750 19.99405 33.82220 
1 1 1    4   11   34 o  245.195   15.168  145.397   17.039  176.930   24.025  113.482   24.170  272.894   18.838  217.495   23.779 55.39932 30.33640 
1 1 1    4   11   35 o  193.910   12.369   89.137   11.190   82.197   15.619   96.456   16.041  186.082   17.960  201.739   17.013 -15.65709 24.73865 
1 1 1    4   11   36 o   78.783   16.312   14.255   6.2287   11.409   7.7711   19.367   10.416   69.238   21.636   88.328   24.417 -19.09048 32.62420 
1 1 1    4   11   37 o  269.302   23.300  199.316   22.707  216.341   26.180  147.618   45.622  301.448   18.583  237.155   42.734 64.29291 46.59945 
1 1 1    4   11   38 o  168.615   15.332   69.272   11.124   70.865   13.450   65.822   19.793  172.688   16.665  164.542   25.739 8.146317 30.66334 
1 1 1    4   11   39 o   82.923   15.043   14.585   5.6098   9.9175   6.6713   25.853   10.365   64.324   20.038  101.523   22.443 -37.19874 30.08700 
1 1 1    4   11   40 o  154.011   13.970   55.364   9.5105   51.962   11.544   62.550   16.778  147.516   16.745  160.507   22.367 -12.99110 27.94064 
1 1 1    4   11   41 o  128.470   25.262   41.756   14.627   0.0000   0.0000   41.756   14.627  ?   ?   128.470   25.262      ?      ? 
1 1 1    4   11   42 o  225.593   20.631  127.804   21.739  122.378   30.602  133.331   30.887  220.477   29.699  230.710   28.646 -10.23314 41.26258 
1 1 1    4   11   43 o  239.100   17.591  135.430   18.880  121.297   23.189  163.215   32.514  222.686   22.282  255.514   27.228 -32.82809 35.18292 
1 1 1    4   11   44 f   58.124   14.606   6.9646   4.3892   6.7306   4.9830   7.7746   9.2711   53.528   17.395   62.720   23.467 -9.191547 29.21137 
1 1 1    4   11   45 o  105.906   13.642   25.970   5.8053   24.019   6.6788   32.000   11.742  100.162   14.268  111.650   23.257 -11.48757 27.28485 
1 1 1    4   11   46 o  115.831   11.731   32.562   6.3098   34.473   8.6310   30.368   9.2477  119.755   15.421  111.908   17.682 7.846603 23.46215 
1 1 1    4   11   47 o  220.271   15.916  119.073   14.180  117.912   16.388  122.531   28.286  221.333   15.843  219.209   27.610 2.123932 31.83286 
1 1 1    4   11   48 o  258.785   13.849  160.910   16.520  141.827   21.317  189.597   26.137  240.438   18.971  277.132   20.180 -36.69409 27.69722 
1 1 1    4   11   49 o  203.397   12.050  101.250   11.181  102.430   14.405   99.463   17.734  205.876   14.971  200.917   18.887 4.959198 24.10051 
1 1 1    4   11   50 o  254.992   15.774  172.325   17.501  203.708   22.647  125.810   27.572  289.317   16.750  220.668   26.735 68.64914 31.54865 
1 1 1    4   11   51 o   95.878   14.749   22.174   6.6088   22.174   6.6088   0.0000   0.0000   95.878   14.749  ?   ?       ?      ? 
1 1 1    4   11   52 o  140.625   17.356   59.163   8.9192   66.706   10.294   36.444   17.865  166.831   13.203  114.420   32.102 52.41162 34.71114 
1 1 1    4   11   53 o  129.772   16.714   46.438   9.1947   52.340   11.475   35.852   15.369  145.986   16.819  113.558   28.889 32.42768 33.42867 
1 1 1    4   11   54 f  156.384   17.557   70.528   11.009   84.618   13.717   45.028   18.453  186.387   15.748  126.382   31.386 60.00522 35.11479 
1 1 1    4   11   55 o   57.911   23.390   5.2316   9.7838   0.0000   0.0000   5.2316   9.7838  ?   ?    57.911   23.390      ?      ? 
1 1 1    4   11   56 o   47.227   14.476  -0.2200   5.8532  -2.2767   7.6631   2.6604   9.0687   42.101   18.863   52.353   21.964 -10.25212 28.95261 
1 1 1    4   11   57 o  121.265   16.116   40.071   8.3533   35.144   14.228   42.663   10.319  111.557   27.471  130.973   16.859 -19.41538 32.23166 
1 1 1    4   11   58 o   53.240   15.048   4.8640   5.6369   4.0209   8.6818   5.4784   7.4116   53.184   21.825   53.297   20.724 -0.1134033 30.09682 
1 1 1    4   11   59 o   66.708   14.767   1.8678   6.5445 -11.2010   8.0449   27.439   11.253   34.301   16.572   99.116   24.446 -64.81483 29.53364 
1 1 1    4   11   60 o   40.900   13.508  -6.0021   5.2215  -7.8413   5.9682   0.0000   10.781   30.194   14.508   51.607   22.791 -21.41368 27.01667 
1 1 1    4   11   61 o  118.057   15.976   35.433   7.6887   31.741   8.8948   46.348   15.292  111.172   17.120  124.941   26.978 -13.76913 31.95146 
1 1 1    4   11   62 o   57.880   14.128   8.6021   4.7107   6.4976   7.1349   10.228   6.2720   53.879   20.491   61.882   19.454 -8.003414 28.25525 
1 1 1    4   11   63 o   60.291   14.294   9.8395   4.7230   9.9131   7.1667   9.7830   6.2795   60.552   20.877   60.030   19.529 0.5225639 28.58714 
1 1 1    4   11   64 f   49.904   12.636   3.0197   4.5237   12.946   6.7711  -4.9829   6.0797   67.144   20.047   32.664   15.389 34.47996 25.27288 
1 1 1    4   11   65 o   64.207   13.921   10.865   4.9042   17.919   7.3839   5.2967   6.5600   79.118   19.968   49.295   19.401 29.82370 27.84136 
1 1 1    4   11   66 o   66.199   15.999   13.971   5.9414   13.462   9.0660   14.355   7.8661   64.800   23.380   67.598   21.846 -2.797607 31.99841 
1 1 1    4   11   67 o   61.588   14.355   11.726   4.8494   9.6976   6.8501   13.763   6.8661   56.695   20.339   66.481   20.264 -9.785767 28.71056 
1 1 1    4   11   68 o   36.703   11.782  -1.1286   4.4219   0.9586   6.3534  -3.0895   6.1582   39.532   17.475   33.875   15.807 5.657501 23.56355 
1 1 1    4   11   69 o   81.495   14.743   22.961   5.8234   26.768   7.5220   17.266   9.2001   94.848   17.618   68.142   23.645 26.70537 29.48695 
1 1 1    4   12    0 o  1725.32  110.252  8457.48  1233.62  8457.48  1233.62  8457.48  1233.62  1725.32  155.920  1725.32  155.920 -0.000000 0.000000 
1 1 1    4   12    1 o  546.734   29.622  719.350   75.534  667.585  106.814  771.127  106.828  526.474   43.412  566.994   40.315 -40.52051 59.24430 
1 1 1    4   12    2 o  687.123   37.595  1153.69  120.689  1121.22  170.680  1186.17  170.680  677.010   53.944  697.237   52.379 -20.22729 75.19036 
1 1 1    4   12    3 o  297.143   19.447  202.025   25.802  231.510   44.708  187.301   31.594  312.451   30.617  281.835   23.987 30.61548 38.89428 
1 1 1    4   12    4 o  655.439   48.490  1134.33  134.166  914.530  232.345  1244.29  164.332  594.346   83.647  716.532   49.073 -122.1854 96.97955 
1 1 1    4   12    5 o  332.169   19.507  240.023   29.032  347.440   50.356  186.542   35.532  383.334   28.108  281.004   27.056 102.3297 39.01393 
1 1 1    4   12    6 f  657.478   46.536  1103.72  131.894  985.638  228.416  1162.78  161.547  622.023   78.574  692.933   49.884 -70.90967 93.07139 
1 1 1    4   12    7 o  269.841   19.259  171.053   24.288   0.0000   0.0000  171.053   24.288  ?   ?   269.841   19.259      ?      ? 
1 1 1    4   12    8 o  575.239   28.573  793.406   76.412  885.039  108.065  701.780  108.061  609.322   37.949  541.155   42.727 68.16663 57.14646 
1 1 1    4   12    9 o  247.549   14.477  144.056   16.740  138.534   23.632  149.617   23.716  242.761   20.829  252.336   20.110 -9.575348 28.95304 
1 1 1    4   12   10 o  229.033   16.127  119.960   16.499  135.149   28.485  112.293   20.239  239.435   25.456  218.630   19.808 20.80466 32.25452 
1 1 1    4   12   11 o  269.353   22.691  172.535   28.415  191.973   40.103  152.938   40.266  284.866   30.123  253.841   33.942 31.02470 45.38105 
1 1 1    4   12   12 o  157.927   21.277   58.642   15.704   58.642   15.704   0.0000   0.0000  157.927   21.277  ?   ?       ?      ? 
1 1 1    4   12   13 o  580.885   45.641  833.939  123.844  862.443  175.155  805.444  175.128  591.380   63.374  570.389   65.696 20.99078 91.28149 
1 1 1    4   12   14 o  458.101   50.551  507.776  108.226  507.776  108.226   0.0000   0.0000  458.101   50.551  ?   ?       ?      ? 
1 1 1    4   12   15 o  129.826   19.640   39.599   11.916   39.599   11.916   0.0000   0.0000  129.826   19.640  ?   ?       ?      ? 
1 1 1    4   12   16 o  185.057   15.072   80.283   13.036   0.0000   0.0000   80.283   13.036  ?   ?   185.057   15.072      ?      ? 
1 1 1    4   12   17 o  573.135   40.193  785.484  107.660   0.0000   0.0000  785.484  107.660  ?   ?   573.135   40.193      ?      ? 
1 1 1    4   12   18 o  137.952   14.394   44.603   9.2800   0.0000   0.0000   44.603   9.2800  ?   ?   137.952   14.394      ?      ? 
1 1 1    4   12   19 o  299.481   24.732  211.433   34.615   0.0000   0.0000  211.433   34.615  ?   ?   299.481   24.732      ?      ? 
1 1 1    4   12   20 o  246.657   20.293  144.255   23.312  130.505   32.941  158.050   32.996  234.712   30.031  258.602   27.301 -23.89026 40.58566 
1 1 1    4   12   21 o  458.955   51.123  515.043  109.655   0.0000   0.0000  515.043  109.655  ?   ?   458.955   51.123      ?      ? 
1 1 1    4   12   22 o  572.569   41.689  891.581   97.985  1021.53  120.047  632.206  169.603  651.079   39.453  494.060   73.453 157.0189 83.37806 
1 1 1    4   12   23 o  267.402   22.188  168.786   27.729  168.786   27.729   0.0000   0.0000  267.402   22.188  ?   ?       ?      ? 
1 1 1    4   12   24 o  571.257   25.490  786.097   67.680  693.662   95.680  878.666   95.749  536.615   38.152  605.899   33.814 -69.28430 50.97947 
1 1 1    4   12   25 o  675.492   46.395  1261.41  128.860  919.977  223.161  1432.19  157.831  584.802   81.652  766.181   44.078 -181.3790 92.78934 
1 1 1    4   12   26 o  351.551   19.140  293.856   31.427  305.275   44.429  282.421   44.460  358.508   26.517  344.594   27.607 13.91446 38.27942 
1 1 1    4   12   27 o  340.400   18.662  275.456   29.658  289.292   41.893  261.556   41.992  349.124   25.676  331.677   27.090 17.44751 37.32427 
1 1 1    4   12   28 o  259.558   20.998  159.247   25.471   0.0000   0.0000  159.247   25.471  ?   ?   259.558   20.998      ?      ? 
1 1 1    4   12   29 o  241.649   17.989  138.818   19.017  138.598   23.146  139.276   33.360  242.118   20.455  241.180   29.596 0.9390106 35.97707 
1 1 1    4   12   30 o  384.893   23.878  345.678   40.952  321.127   50.065  395.317   71.188  366.385   29.238  403.400   37.760 -37.01477 47.75658 
1 1 1    4   12   31 o  292.921   16.417  205.380   22.226  170.351   31.346  240.799   31.520  267.205   25.101  318.636   21.167 -51.43179 32.83434 
1 1 1    4   12   32 o  165.074   11.864   64.506   9.1109   56.739   12.725   72.675   13.051  154.772   17.592  175.376   15.923 -20.60431 23.72810 
1 1 1    4   12   33 o  246.557   14.628  145.628   16.725  124.960   23.622  166.403   23.684  228.581   22.112  264.533   19.157 -35.95291 29.25647 
1 1 1    4   12   34 o  100.959   13.020   19.640   5.5182   12.564   6.3886   40.429   10.950   71.422   18.860  130.496   17.955 -59.07335 26.04053 
1 1 1    4   12   35 o  110.684   13.765   27.714   6.2849   25.276   7.3304   34.477   12.211  103.390   15.171  117.979   22.972 -14.58829 27.52949 
1 1 1    4   12   36 o  225.812   13.922  122.447   14.570  139.432   20.521  105.182   20.690  242.059   18.140  209.565   21.125 32.49422 27.84490 
1 1 1    4   12   37 o  180.708   17.600   86.106   12.866   96.529   15.747   65.176   22.314  201.482   16.724  159.935   30.972 41.54720 35.19902 
1 1 1    4   12   38 o  148.569   24.076   53.758   16.717   0.0000   0.0000   53.758   16.717  ?   ?   148.569   24.076      ?      ? 
1 1 1    4   12   39 f  236.678   17.190  130.720   18.257  159.684   31.526  116.104   22.395  254.515   26.504  218.840   21.897 35.67558 34.37902 
1 1 1    4   12   40 o  195.979   18.376   92.201   16.831   0.0000   0.0000   92.201   16.831  ?   ?   195.979   18.376      ?      ? 
1 1 1    4   12   41 o  223.316   16.916  120.009   16.795  130.388   28.996  114.769   20.603  228.916   27.103  217.715   20.248 11.20081 33.83171 
1 1 1    4   12   42 o   46.632   13.743   1.2764   4.6406   0.4883   5.5819   3.0402   8.3504   40.499   17.124   52.766   21.500 -12.26676 27.48596 
1 1 1    4   12   43 o   31.879   10.679  -4.6145   3.6561  -2.6355   4.0973 -12.3488   8.0999   29.328   13.399   34.430   16.633 -5.101946 21.35856 
1 1 1    4   12   44 o   43.885   16.462   3.5654   4.5681   3.5654   4.5681   0.0000   0.0000   43.885   16.462  ?   ?       ?      ? 
1 1 1    4   12   45 o  135.432   14.854   47.224   7.5008   48.523   8.5663   42.955   15.529  142.686   12.846  128.177   26.786 14.50916 29.70733 
1 1 1    4   12   46 o   85.520   12.398   19.990   4.7260   25.605   6.0348   11.086   7.5995  103.724   12.449   67.316   21.443 36.40863 24.79516 
1 1 1    4   12   47 o  114.842   10.429   30.251   5.4599   24.910   6.8702   39.407   8.9953  101.798   14.441  127.886   15.050 -26.08757 20.85788 
1 1 1    4   12   48 o   60.469   14.096   9.2642   5.0005   12.736   5.7261  -1.8896   10.263   70.857   17.415   50.081   22.171 20.77586 28.19272 
1 1 1    4   12   49 o   80.971   15.139   16.256   5.3865   15.432   6.3407   18.393   10.210   78.019   17.785   83.923   24.504 -5.904343 30.27824 
1 1 1    4   12   50 o   57.898   14.715   3.4537   4.7028  -0.0724   5.3563   15.317   9.8248   38.420   16.525   77.375   24.352 -38.95551 29.42966 
1 1 1    4   12   51 o  195.872   20.319  108.859   15.884  123.479   19.474   79.797   27.455  224.309   18.576  167.435   36.145 56.87323 40.63898 
1 1 1    4   12   52 o  132.043   13.002   43.628   7.6685   33.455   10.567   54.946   11.146  114.062   20.580  150.024   15.897 -35.96146 26.00471 
1 1 1    4   12   53 o  134.341   15.058   41.447   8.7862   29.088   10.732   66.576   15.302  105.432   22.467  163.249   20.056 -57.81712 30.11677 
1 1 1    4   12   54 o   95.170   19.341   24.937   9.0691   26.133   12.745   23.709   12.908   97.496   27.030   92.844   27.670 4.652328 38.68159 
1 1 1    4   12   55 o  108.659   25.765   32.426   12.886   32.426   12.886   0.0000   0.0000  108.659   25.765  ?   ?       ?      ? 
1 1 1    4   12   56 o  111.152   18.612   34.367   9.4582   34.442   12.540   34.268   14.405  112.409   24.557  109.895   27.975 2.513657 37.22419 
1 1 1    4   12   57 o  111.188   20.296   32.467   10.158   0.0000   0.0000   32.467   10.158  ?   ?   111.188   20.296      ?      ? 
1 1 1    4   12   58 o   69.948   15.819   12.896   6.1708   7.2719   9.0614   17.761   8.4268   59.039   22.927   80.857   21.802 -21.81722 31.63798 
1 1 1    4   12   59 o  128.781   16.564   44.563   9.2331   43.408   11.381   46.785   15.792  130.139   18.712  127.423   27.338 2.716316 33.12853 
1 1 1    4   12   60 o   77.242   16.864   15.479   6.2765   12.599   7.4883   22.281   11.508   67.848   21.245   86.636   26.196 -18.78752 33.72776 
1 1 1    4   12   61 o   58.062   15.244   8.1062   5.4946   8.8501   8.1322   7.4813   7.4533   59.799   22.056   56.325   21.048 3.474041 30.48731 
1 1 1    4   12   62 o   78.922   14.822   17.459   5.5719   15.427   7.6718   19.727   8.1058   73.952   21.139   83.892   20.782 -9.940819 29.64347 
1 1 1    4   12   63 f  134.357   10.740   46.714   6.7386   47.408   9.7515   46.079   9.3225  135.089   15.446  133.625   14.928 1.463409 21.48067 
1 1 1    4   12   64 o   46.896   13.613   1.6682   4.7194   8.9315   8.1496  -1.9966   5.7888   58.400   21.972   35.393   16.076 23.00701 27.22504 
1 1 1    4   12   65 o   61.081   14.100   10.814   4.6089   12.878   7.0070   9.2391   6.1190   65.383   20.564   56.779   19.298 8.604073 28.20090 
1 1 1    4   12   66 o   51.032   14.325   6.4796   4.9228   8.3137   8.2570   5.4682   6.1317   54.600   21.678   47.464   18.733 7.135986 28.65075 
1 1 1    4   12   67 o   93.439   12.664   25.498   5.3740   20.997   7.6586   29.863   7.5427   82.402   20.073  104.475   15.448 -22.07302 25.32879 
1 1 1    4   12   68 o   42.787   13.104   2.7919   4.6101   3.4941   7.9777   2.4398   5.6488   45.505   19.864   40.068   17.094 5.437000 26.20720 
1 1 1    4   12   69 o   28.826   10.084 -13.4339   5.0361 -22.2213   7.1698  -4.8762   7.0754   23.994   12.184   33.657   16.071 -9.662979 20.16739 
1 1 1    4   13    0 o  492.288   26.634  581.529   85.491  581.529   85.491  581.529   85.491  492.288   37.665  492.288   37.665 -0.000000 0.000000 
1 1 1    4   13    1 o  471.177   21.385  516.856   46.412  573.683   73.412  479.019   59.903  492.074   31.922  450.279   28.466 41.79507 42.77065 
1 1 1    4   13    2 o  1169.61  107.844  4360.48  446.299  3541.96  892.580  4633.33  515.345  991.287  199.572  1347.94   81.806 -356.6485 215.6875 
1 1 1    4   13    3 o  565.601   24.754  753.758   64.332  793.787  101.741  727.092   83.040  577.263   37.712  553.939   32.076 23.32379 49.50822 
1 1 1    4   13    4 o  914.156   52.884  1977.50  199.931  2384.61  399.930  1841.85  230.848  959.453   89.190  868.859   56.850 90.59448 105.7680 
1 1 1    4   13    5 o  577.018   32.950  785.748   77.415  833.005  154.867  770.006   89.385  584.365   56.706  569.670   33.574 14.69537 65.89982 
1 1 1    4   13    6 o  620.674   37.488  911.441   94.934  984.053  189.914  887.253  109.611  631.291   64.370  610.057   38.445 21.23413 74.97697 
1 1 1    4   13    7 o  444.204   23.326  422.437   43.566  576.320   87.228  371.291   50.288  491.791   37.952  396.617   27.130 95.17377 46.65170 
1 1 1    4   13    8 o  384.253   26.780  382.938   39.471  295.618   78.902  412.084   45.584  350.127   48.219  418.379   23.313 -68.25174 53.55917 
1 1 1    4   13    9 o  257.622   14.000  143.691   15.059  183.712   30.218  130.466   17.370  279.359   23.145  235.885   15.757 43.47414 27.99928 
1 1 1    4   13   10 o  297.269   17.529  193.596   21.708  241.217   43.509  177.812   25.049  319.411   29.146  275.127   19.481 44.28491 35.05751 
1 1 1    4   13   11 o  199.859   16.769   94.397   15.543  108.809   22.141   80.397   21.824  215.057   22.030  184.662   25.288 30.39526 33.53748 
1 1 1    4   13   12 o  373.024   26.001  331.084   42.694  332.214   74.001  330.520   52.270  372.318   42.529  373.730   29.926 -1.411896 52.00240 
1 1 1    4   13   13 o  301.520   23.583  218.380   32.563  168.420   45.922  268.906   46.181  265.879   36.957  337.162   29.308 -71.28348 47.16698 
1 1 1    4   13   14 o  190.969   17.807   85.610   15.893   0.0000   0.0000   85.610   15.893  ?   ?   190.969   17.807      ?      ? 
1 1 1    4   13   15 o  341.505   22.329  279.010   33.449  268.828   57.787  284.141   41.019  335.905   36.810  347.106   25.286 -11.20099 44.65838 
1 1 1    4   13   16 o  1002.11   91.010  2906.97  425.818  2787.09  602.193  3026.85  602.201  976.515  131.951  1027.71  125.381 -51.19055 182.0204 
1 1 1    4   13   17 o  453.476   50.110  498.425  106.199   0.0000   0.0000  498.425  106.199  ?   ?   453.476   50.110      ?      ? 
1 1 1    4   13   18 o  581.909   44.963  873.446  113.946  531.432  161.077  1216.02  161.210  456.058   75.574  707.760   48.737 -251.7012 89.92626 
1 1 1    4   13   19 o  239.458   19.729  135.998   22.054  144.357   31.360  127.819   31.021  246.828   27.186  232.089   28.600 14.73944 39.45887 
1 1 1    4   13   20 o  387.129   26.090  369.993   43.733  389.421   53.599  331.298   75.645  404.917   28.324  369.342   43.823 35.57501 52.17968 
1 1 1    4   13   21 o  109.901   10.769   27.997   5.3759   26.889   6.7814   29.871   8.8193  107.067   13.553  112.735   16.739 -5.668800 21.53755 
1 1 1    4   13   22 o  508.463   28.747  627.658   67.889  705.515   96.020  549.838   95.998  541.217   37.962  475.709   43.179 65.50818 57.49413 
1 1 1    4   13   23 o  514.221   37.991  681.434   83.746  591.138  145.034  726.600  102.575  480.720   64.556  547.722   40.072 -67.00113 75.98154 
1 1 1    4   13   24 o  260.281   17.823  157.757   20.546  151.864   25.097  169.734   35.778  253.604   21.175  266.959   28.676 -13.35425 35.64692 
1 1 1    4   13   25 o  418.878   29.866  440.727   53.902  466.535   65.994  389.008   93.421  441.508   31.983  396.248   50.447 45.26047 59.73143 
1 1 1    4   13   26 o  156.299   10.608   57.427   7.7190   50.967   10.773   64.242   11.066  147.225   15.657  165.374   14.317 -18.14911 21.21642 
1 1 1    4   13   27 o  180.609   11.671   76.951   9.7988   67.214   13.742   87.024   13.977  168.885   17.410  192.332   15.549 -23.44640 23.34298 
1 1 1    4   13   28 o  273.801   16.285  177.916   20.803  165.684   29.380  190.214   29.459  264.222   23.792  283.381   22.244 -19.15909 32.57086 
1 1 1    4   13   29 o  224.681   13.750  120.251   14.278  139.861   20.126  100.377   20.260  243.491   17.686  205.871   21.058 37.61957 27.49929 
1 1 1    4   13   30 o   91.428   11.464   20.035   4.7182   14.839   6.4365   26.070   6.9365   77.653   18.074  105.203   14.108 -27.55049 22.92876 
1 1 1    4   13   31 o  156.016   13.472   55.777   9.4052   64.980   16.258   51.149   11.530  165.049   21.078  146.982   16.785 18.06654 26.94483 
1 1 1    4   13   32 o  277.469   18.379  176.905   22.764  157.710   27.740  216.489   39.836  256.454   23.145  298.484   28.557 -42.03036 36.75808 
1 1 1    4   13   33 o  218.914   13.669  114.059   13.979  109.325   19.598  118.961   19.944  214.241   19.573  223.587   19.086 -9.346466 27.33851 
1 1 1    4   13   34 o  180.631   12.171   77.410   10.271   76.190   14.311   78.706   14.750  179.184   17.089  182.078   17.334 -2.893372 24.34154 
1 1 1    4   13   35 o  236.026   14.496  133.349   15.990  133.246   22.527  133.453   22.700  235.954   20.428  236.098   20.573 -0.1443634 28.99225 
1 1 1    4   13   36 o  432.262   33.758  523.882   61.244  570.131   74.991  431.259  106.126  476.469   33.677  388.055   58.517 88.41467 67.51598 
1 1 1    4   13   37 o   73.668   24.575   12.714   9.9214   0.0000   0.0000   12.714   9.9214  ?   ?    73.668   24.575      ?      ? 
1 1 1    4   13   38 o  307.023   26.989  252.738   35.142  159.033   49.397  348.764   50.005  239.511   45.799  374.534   28.568 -135.0231 53.97883 
1 1 1    4   13   39 o  296.642   36.917  228.718   51.180   0.0000   0.0000  228.718   51.180  ?   ?   296.642   36.917      ?      ? 
1 1 1    4   13   40 o   68.578   14.750   11.855   5.3213   6.6909   8.7875   14.845   6.6866   60.143   22.773   77.014   18.753 -16.87108 29.50037 
1 1 1    4   13   41 o   91.867   16.020   21.176   7.2661   10.739   10.068   32.524   10.498   69.562   24.688  114.173   20.423 -44.61098 32.04099 
1 1 1    4   13   42 o   84.032   16.346   18.081   7.1005   26.002   9.7330   9.0703   10.382  101.335   21.231   66.729   24.859 34.60627 32.69164 
1 1 1    4   13   43 o  149.371   13.141   53.237   9.1737   53.237   9.1737   0.0000   0.0000  149.371   13.141  ?   ?       ?      ? 
1 1 1    4   13   44 o  155.084   10.895   58.941   7.5800   62.494   9.6560   53.236   12.236  161.968   12.756  148.200   17.666 13.76848 21.79015 
1 1 1    4   13   45 o  113.234   13.326   30.643   5.8917   29.627   6.7474   33.904   12.089  111.481   12.951  114.988   23.293 -3.507065 26.65109 
1 1 1    4   13   46 f  190.164   19.591  104.902   13.247  114.848   15.252   74.349   26.731  218.341   14.946  161.987   36.219 56.35466 39.18134 
1 1 1    4   13   47 o  111.937   16.456   30.488   8.6088   30.488   8.6088   0.0000   0.0000  111.937   16.456  ?   ?       ?      ? 
1 1 1    4   13   48 o  251.674   22.331  158.929   26.266  158.929   26.266   0.0000   0.0000  251.674   22.331  ?   ?       ?      ? 
1 1 1    4   13   49 f  147.424   17.934   56.337   12.053   60.841   17.034   51.820   17.059  155.121   23.496  139.728   27.101 15.39291 35.86811 
1 1 1    4   13   50 o  133.473   17.062   49.383   9.3513   36.587   16.420   55.526   11.377  115.617   30.096  151.330   16.086 -35.71342 34.12474 
1 1 1    4   13   51 o   87.135   14.423   19.712   5.8743   13.897   8.1743   25.922   8.4474   73.302   22.059  100.968   18.587 -27.66595 28.84534 
1 1 1    4   13   52 o  142.674   11.161   49.777   7.2600   50.431   9.3465   48.783   11.528  144.540   13.836  140.808   17.517 3.731766 22.32253 
1 1 1    4   13   53 o   39.414   12.240  -0.7576   4.2573   0.5934   5.2795  -3.2695   7.1989   39.156   16.610   39.671   17.983 -0.5146027 24.48036 
1 1 1    4   13   54 o   81.608   15.742   14.667   5.2754   12.079   5.9137   24.749   11.674   68.357   18.191   94.858   25.696 -26.50144 31.48367 
1 1 1    4   13   55 o  112.316   19.203   36.307   10.229   45.718   13.982   25.469   15.005  130.556   23.792   94.075   30.148 36.48145 38.40564 
1 1 1    4   13   56 o   83.436   15.909   17.014   6.5275   28.963   10.646   9.8167   8.2629  103.611   22.621   63.261   22.375 40.34954 31.81751 
1 1 1    4   13   57 o   64.122   14.479   9.1193   5.4993   17.940   8.1292   1.6762   7.4673   81.547   21.151   46.698   19.779 34.84856 28.95811 
1 1 1    4   13   58 o  105.256   17.834   29.642   8.3833   24.884   10.383   38.551   14.208   94.600   23.571  115.912   26.769 -21.31284 35.66757 
1 1 1    4   13   59 o   72.794   16.146   14.407   5.6746   14.287   6.5794   14.757   11.213   72.742   19.107   72.847   26.033 -0.1045990 32.29243 
1 1 1    4   13   60 o   52.311   14.569   5.1681   5.2248   3.3074   6.9276   7.6226   7.9566   47.449   19.487   57.174   21.664 -9.724434 29.13885 
1 1 1    4   13   61 o   97.932   13.063   25.030   5.7928   18.325   7.7220   33.660   8.7606   81.238   20.375  114.627   16.353 -33.38938 26.12593 
1 1 1    4   13   62 o   31.704   10.648  -5.9149   4.2682  -6.6347   5.8950  -5.1219   6.1881   30.469   14.581   32.939   15.521 -2.469765 21.29593 
1 1 1    4   13   63 o   86.008   13.009   21.781   5.6222   34.339   7.7164   7.5692   8.2085  116.114   14.220   55.901   21.790 60.21319 26.01881 
1 1 1    4   13   64 o   52.015   12.452   4.0664   4.9385  -9.5411   7.4056   14.964   6.6272   32.346   15.692   71.684   19.337 -39.33765 24.90306 
1 1 1    4   13   65 o   57.611   13.023   9.8798   4.8186  -0.4236   8.1636   15.389   5.9695   42.168   19.129   73.054   17.676 -30.88573 26.04515 
1 1 1    4   13   66 o   34.670   10.985  -3.6521   3.8648   4.3017   6.0888  -9.0190   5.0016   44.670   18.298   24.671   12.159 19.99945 21.96981 
1 1 1    4   13   67 o   48.028   13.285   2.7065   4.8162  -4.1277   6.1861   13.224   7.6742   32.749   15.458   63.307   21.612 -30.55865 26.57070 
1 1 1    4   13   68 o   54.024   14.144   9.1777   4.5830   11.013   7.7194   8.1790   5.6953   56.658   21.370   51.391   18.533 5.266769 28.28706 
1 1 1    4   14    0 o  134.691   10.494   43.977   9.0529   43.977   9.0529   43.977   9.0529  134.691   14.841  134.691   14.841 -0.000000 0.000000 
1 1 1    4   14    1 o  832.237   39.009  1723.41  146.352  1522.88  231.394  1857.10  188.944  785.854   63.004  878.620   46.014 -92.76642 78.01783 
1 1 1    4   14    2 o  622.450   28.996  940.634   81.836  861.941  129.391  993.101  105.652  598.476   46.261  646.425   34.972 -47.94891 57.99205 
1 1 1    4   14    3 o  599.108   30.934  863.438   86.228  771.972  121.930  954.950  121.960  566.434   46.059  631.782   41.306 -65.34717 61.86768 
1 1 1    4   14    4 o  329.436   21.001  255.171   32.334   0.0000   0.0000  255.171   32.334  ?   ?   329.436   21.001      ?      ? 
1 1 1    4   14    5 o  198.008   16.922  105.712   12.130   72.691   24.145  116.858   14.029  172.672   31.062  223.343   13.440 -50.67114 33.84496 
1 1 1    4   14    6 o  356.904   25.759  330.980   35.210  253.349   70.371  356.905   40.667  324.367   46.421  389.442   22.344 -65.07468 51.51846 
1 1 1    4   14    7 o  527.918   36.627  686.966   84.203  643.719  145.858  708.583  103.122  511.492   61.017  544.344   40.535 -32.85150 73.25396 
1 1 1    4   14    8 o  612.439   47.137  904.377  134.917   0.0000   0.0000  904.377  134.917  ?   ?   612.439   47.137      ?      ? 
1 1 1    4   14    9 o  514.358   56.978  647.151  136.967   0.0000   0.0000  647.151  136.967  ?   ?   514.358   56.978      ?      ? 
1 1 1    4   14   10 o  185.661   15.932   80.844   13.824   0.0000   0.0000   80.844   13.824  ?   ?   185.661   15.932      ?      ? 
1 1 1    4   14   11 o  779.906   64.798  1594.06  236.130  1628.40  333.885  1559.69  333.991  789.346   90.508  770.466   92.755 18.88049 129.5963 
1 1 1    4   14   12 o  513.808   56.868  645.603  136.557  645.603  136.557   0.0000   0.0000  513.808   56.868  ?   ?       ?      ? 
1 1 1    4   14   13 o  210.887   18.025  104.967   17.750  109.779   25.088  100.144   25.116  215.776   24.879  205.999   26.088 9.777756 36.04913 
1 1 1    4   14   14 o  255.338   29.563  154.382   35.279   0.0000   0.0000  154.382   35.279  ?   ?   255.338   29.563      ?      ? 
1 1 1    4   14   15 f  485.796   38.238  578.737   86.798  591.092  122.753  566.384  122.748  491.237   53.469  480.355   54.678 10.88162 76.47585 
1 1 1    4   14   16 o  601.251   46.326  879.145  130.173  879.145  130.173   0.0000   0.0000  601.251   46.326  ?   ?       ?      ? 
1 1 1    4   14   17 o  701.396   49.231  1286.06  149.274  1335.50  182.842  1187.25  258.494  735.097   53.222  667.695   82.838 67.40179 98.46147 
1 1 1    4   14   18 o  487.348   39.709  592.169   90.135  539.651  127.518  644.609  127.422  464.295   58.767  510.400   53.418 -46.10562 79.41712 
1 1 1    4   14   19 o  482.461   24.514  560.388   54.812  478.605   77.455  642.428   77.578  446.143   37.148  518.779   31.997 -72.63666 49.02839 
1 1 1    4   14   20 o  649.387   35.715  1040.69  108.388  1051.10  153.273  1030.29  153.296  652.819   50.238  645.955   50.779 6.863953 71.43076 
1 1 1    4   14   21 f  699.586   46.133  1220.01  143.622  1378.04  248.803  1141.04  175.885  724.152   73.516  675.020   55.753 49.13184 92.26612 
1 1 1    4   14   22 o  539.333   36.228  722.426   85.688  717.371  148.462  724.950  104.929  532.357   59.672  546.310   41.097 -13.95239 72.45500 
1 1 1    4   14   23 o  286.823   16.653  195.786   22.123  165.559   31.209  226.318   31.366  264.169   25.279  309.477   21.686 -45.30798 33.30627 
1 1 1    4   14   24 o  138.390   15.842   53.032   8.6267   30.851   14.975   64.049   10.554  111.621   28.582  165.158   13.673 -53.53627 31.68434 
1 1 1    4   14   25 o  306.283   16.447  223.533   23.357  191.277   32.961  256.066   33.103  283.661   24.864  328.904   21.536 -45.24286 32.89352 
1 1 1    4   14   26 o  349.984   17.768  291.276   29.049  281.086   41.026  301.521   41.138  343.746   25.538  356.223   24.710 -12.47675 35.53548 
1 1 1    4   14   27 o  341.959   22.424  272.429   34.237  252.599   41.942  312.030   59.271  325.114   27.604  358.804   35.346 -33.68973 44.84776 
1 1 1    4   14   28 o  216.949   13.218  111.443   13.399  108.294   18.855  114.655   19.044  213.826   18.868  220.072   18.516 -6.245331 26.43553 
1 1 1    4   14   29 o  251.838   19.521  153.515   21.599  153.048   37.446  153.747   26.441  250.067   32.041  253.610   22.309 -3.543411 39.04241 
1 1 1    4   14   30 o   91.269   15.618   19.249   6.8250   10.629   8.8613   31.820   10.701   68.730   23.224  113.808   20.888 -45.07847 31.23602 
1 1 1    4   14   31 o  366.805   29.854  344.491   50.392  409.531   71.416  279.993   71.117  404.521   37.775  329.088   46.240 75.43280 59.70855 
1 1 1    4   14   32 f  104.433   11.397   25.851   5.3849   21.277   7.2226   31.575   8.0799   93.292   17.199  115.573   14.959 -22.28156 22.79465 
1 1 1    4   14   33 o  204.524   12.404   99.430   11.822   89.876   16.532  109.430   16.913  194.335   18.203  214.714   16.854 -20.37837 24.80750 
1 1 1    4   14   34 o  214.732   13.765  110.364   13.793  117.295   19.508  103.436   19.504  221.636   18.834  207.828   20.080 13.80830 27.53041 
1 1 1    4   14   35 o  317.769   28.525  264.354   41.871  305.457   59.145  223.059   59.283  345.552   36.624  289.985   43.743 55.56650 57.05053 
1 1 1    4   14   36 o  162.886   17.421   65.887   12.711   51.540   17.626   81.433   18.348  142.329   27.494  183.442   21.402 -41.11263 34.84188 
1 1 1    4   14   37 f   87.774   23.046   19.435   9.5742   19.435   9.5742   0.0000   0.0000   87.774   23.046  ?   ?       ?      ? 
1 1 1    4   14   39 o  156.979   23.607   60.514   17.319   60.514   17.319   0.0000   0.0000  156.979   23.607  ?   ?       ?      ? 
1 1 1    4   14   40 o  169.865   24.535   71.456   19.478   71.456   19.478   0.0000   0.0000  169.865   24.535  ?   ?       ?      ? 
1 1 1    4   14   41 o  196.394   20.756  112.527   15.758  134.548   19.319   68.759   27.236  235.915   17.522  156.872   37.633 79.04247 41.51228 
1 1 1    4   14   42 o  128.837   16.345   46.109   8.5840   52.972   10.447   31.847   15.059  148.490   15.055  109.185   29.016 39.30524 32.68937 
1 1 1    4   14   43 o   90.044   12.240   19.903   5.0204   15.419   6.8870   24.988   7.3338   78.089   19.042  101.998   15.385 -23.90923 24.48054 
1 1 1    4   14   44 o  124.427   13.693   35.080   7.4637   27.682   9.0693   50.606   13.138  105.044   19.181  143.811   19.548 -38.76743 27.38662 
1 1 1    4   14   45 o   90.464   18.100   20.635   7.3854   20.635   7.3854   0.0000   0.0000   90.464   18.100  ?   ?       ?      ? 
1 1 1    4   14   46 o  103.065   15.807   28.834   7.0821   31.879   8.5882   22.365   12.520  114.574   16.039   91.556   27.242 23.01783 31.61312 
1 1 1    4   14   47 o   55.561   12.581   4.4659   4.5991  -4.3158   6.2881   14.567   6.7441   35.596   16.387   75.526   19.096 -39.92954 25.16297 
1 1 1    4   14   48 o   69.035   15.795   9.8091   5.7015   5.6806   6.9209   18.529   10.058   53.860   20.251   84.211   24.244 -30.35077 31.58963 
1 1 1    4   14   49 f   78.638   14.507   15.776   5.4343   12.747   7.5027   19.119   7.8818   70.872   21.089   86.404   19.925 -15.53234 29.01357 
1 1 1    4   14   50 o   76.197   16.212   14.847   6.0781   14.018   7.6222   16.295   10.073   73.539   21.086   78.856   24.631 -5.316689 32.42423 
1 1 1    4   14   51 o  146.458   18.663   63.219   11.085   74.235   13.529   40.723   19.333  174.143   16.623  118.773   33.420 55.36967 37.32645 
1 1 1    4   14   52 o   33.472   10.978  -6.6770   4.4412  -0.7606   5.7794 -15.2095   6.9405   38.520   16.859   28.423   14.067 10.09633 21.95686 
1 1 1    4   14   53 o   79.399   15.496   18.610   6.5931   24.630   7.8662   4.3938   12.088   98.244   17.787   60.554   25.379 37.68970 30.99167 
1 1 1    4   14   54 o   58.980   15.433   4.1171   5.5893  -0.7127   6.6473   15.772   10.326   41.133   18.039   76.827   25.045 -35.69432 30.86544 
1 1 1    4   14   55 o   97.558   15.517   23.407   7.2667   39.890   11.623   12.830   9.3108  124.901   19.911   70.214   23.806 54.68694 31.03494 
1 1 1    4   14   56 o   35.803   11.954  -9.0465   5.5906 -24.6023   10.037  -2.0498   6.7315   32.309   16.141   39.296   17.638 -6.987328 23.90865 
1 1 1    4   14   57 o   54.844   15.893   4.8863   6.1654   5.6784   7.3355   2.9803   11.379   53.267   20.644   56.421   24.171 -3.153999 31.78691 
1 1 1    4   14   58 o   80.204   15.712   19.753   7.0186   27.214   8.5852   4.7191   12.187  101.306   18.826   59.103   25.160 42.20319 31.42339 
1 1 1    4   14   59 o   73.186   17.395   15.608   7.1793   18.207   8.7583   10.284   12.534   80.203   22.469   66.170   26.562 14.03323 34.79067 
1 1 1    4   14   60 o   51.227   15.351   3.0183   6.1002   1.9928   7.5550   4.9393   10.340   46.523   19.807   55.931   23.459 -9.407650 30.70231 
1 1 1    4   14   61 o   39.905   12.146  -0.3833   4.3691  -5.1968   6.2327   4.2671   6.1263   33.065   15.579   46.745   18.637 -13.67924 24.29100 
1 1 1    4   14   62 o   47.808   13.470   3.9342   4.7091   7.6954   6.7328   0.3318   6.5890   54.692   20.085   40.925   17.954 13.76710 26.93942 
1 1 1    4   14   63 o   57.717   13.708   9.1411   4.7006   13.289   6.3996   4.2812   6.9269   67.896   19.272   47.538   19.500 20.35833 27.41612 
1 1 1    4   14   64 o   41.099   12.792   0.9963   4.7377   1.6155   7.1148   0.5030   6.3505   42.734   18.704   39.464   17.457 3.269741 25.58485 
1 1 1    4   14   65 o   31.533   10.466  -4.9926   4.0249  -9.4420   5.5861  -0.1888   5.8042   26.375   12.970   36.690   16.430 -10.31558 20.93239 
1 1 1    4   14   66 o   64.245   12.469   11.414   4.8899   0.3690   6.8643   22.794   6.9675   39.782   17.837   88.708   17.428 -48.92612 24.93755 
1 1 1    4   14   67 o   60.873   14.405   12.354   4.7553   12.363   7.9386   12.348   5.9386   59.506   21.816   62.240   18.818 -2.734112 28.81043 
1 1 1    4   15    0 o  693.536   38.418  1167.86  173.613  1167.86  173.613  1167.86  173.613  693.536   54.331  693.536   54.331 -0.000000 0.000000 
1 1 1    4   15    1 o  412.438   33.999  480.100   52.863  271.985   91.467  584.480   64.777  327.539   62.024  497.338   27.869 -169.7983 67.99756 
1 1 1    4   15    2 o  499.552   34.028  611.695   74.103  575.895  128.371  629.586   90.751  485.321   56.597  513.783   37.794 -28.46198 68.05624 
1 1 1    4   15    3 o  226.350   19.384  120.372   20.505   0.0000   0.0000  120.372   20.505  ?   ?   226.350   19.384      ?      ? 
1 1 1    4   15    4 o  962.319  120.976  2621.21  544.075   0.0000   0.0000  2621.21  544.075  ?   ?   962.319  120.976      ?      ? 
1 1 1    4   15    5 o  238.417   19.624  133.564   21.865   0.0000   0.0000  133.564   21.865  ?   ?   238.417   19.624      ?      ? 
1 1 1    4   15    6 o  402.077   44.461  388.526   83.547   0.0000   0.0000  388.526   83.547  ?   ?   402.077   44.461      ?      ? 
1 1 1    4   15    7 o  347.665   38.737  288.590   62.941   0.0000   0.0000  288.590   62.941  ?   ?   347.665   38.737      ?      ? 
1 1 1    4   15    8 o  424.099   46.873  433.875   92.904   0.0000   0.0000  433.875   92.904  ?   ?   424.099   46.873      ?      ? 
1 1 1    4   15    9 o  390.507   43.294  366.495   79.013  366.495   79.013   0.0000   0.0000  390.507   43.294  ?   ?       ?      ? 
1 1 1    4   15   10 o  157.763   13.070   58.894   9.0737   57.225   15.631   59.742   11.143  155.916   21.452  159.609   14.939 -3.692825 26.14084 
1 1 1    4   15   11 o  498.898   25.870  596.860   60.051  660.170   84.939  533.589   84.912  526.041   34.550  471.755   38.513 54.28586 51.73933 
1 1 1    4   15   12 o  558.058   63.250  783.236  164.963  783.236  164.963   0.0000   0.0000  558.058   63.250  ?   ?       ?      ? 
1 1 1    4   15   13 o  419.356   46.998  429.230   92.110  429.230   92.110   0.0000   0.0000  419.356   46.998  ?   ?       ?      ? 
1 1 1    4   15   14 o  469.431   36.620  529.180   80.341  529.180   80.341   0.0000   0.0000  469.431   36.620  ?   ?       ?      ? 
1 1 1    4   15   15 o  212.916   17.356  106.595   17.270   0.0000   0.0000  106.595   17.270  ?   ?   212.916   17.356      ?      ? 
1 1 1    4   15   16 o   43.611   11.192   3.0621   3.1322   0.1657   4.4040   6.0267   4.4556   35.943   15.205   51.279   16.428 -15.33546 22.38441 
1 1 1    4   15   17 o   43.322   12.440   0.5913   3.2216  -0.5192   3.5771   5.3599   7.4125   30.985   13.415   55.659   20.952 -24.67386 24.87912 
1 1 1    4   15   18 o  258.856   20.078  173.646   21.617  198.704   26.537  124.227   37.268  290.333   19.558  227.379   35.071 62.95424 40.15527 
1 1 1    4   15   19 o  387.563   21.202  358.970   38.289  327.073   54.078  391.033   54.219  369.917   31.280  405.208   28.631 -35.29095 42.40478 
1 1 1    4   15   20 o  174.878   11.131   71.833   9.0933   70.255   12.641   73.524   13.090  172.896   15.645  176.859   15.837 -3.963409 22.26140 
1 1 1    4   15   21 o  521.865   28.378  663.678   68.851  588.290   97.324  739.209   97.416  490.936   42.418  552.795   37.707 -61.85931 56.75502 
1 1 1    4   15   22 o  200.954   13.222   89.833   11.962   76.342   14.698  116.298   20.586  180.003   17.472  221.904   19.850 -41.90082 26.44452 
1 1 1    4   15   23 o  169.963   14.441   70.546   10.664   61.812   18.258   75.068   13.137  161.313   24.218  178.612   15.738 -17.29842 28.88222 
1 1 1    4   15   24 o  196.990   19.549  104.615   15.195   68.690   26.245  122.729   18.636  165.765   34.977  228.215   17.473 -62.44954 39.09812 
1 1 1    4   15   25 o  674.953   48.978  1207.87  145.364  1261.44  251.821  1181.10  178.019  671.117   80.288  678.789   56.116 -7.671509 97.95516 
1 1 1    4   15   26 o  575.661   31.513  835.135   84.754  812.148  119.844  858.134  119.877  567.121   45.217  584.201   43.907 -17.08014 63.02651 
1 1 1    4   15   27 o  242.635   20.931  143.514   23.581  124.623   33.163  162.835   33.538  225.841   31.420  259.430   27.661 -33.58833 41.86103 
1 1 1    4   15   28 o   76.453   14.812   15.604   5.2968   18.069   6.1147   8.1967   10.601   86.111   15.775   66.795   25.074 19.31556 29.62387 
1 1 1    4   15   29 o  366.812   30.271  343.708   51.631  380.940   73.118  306.681   72.918  388.426   40.278  345.199   45.198 43.22656 60.54105 
1 1 1    4   15   30 o  290.622   17.047  203.280   23.149  207.901   32.750  198.667   32.724  294.018   23.834  287.227   24.378 6.791504 34.09321 
1 1 1    4   15   31 o  241.901   17.466  138.591   18.750  132.933   22.952  149.941   32.508  235.743   20.833  248.058   28.041 -12.31454 34.93267 
1 1 1    4   15   32 o  113.342   14.980   32.656   6.8895   34.276   8.1343   28.543   12.959  120.362   14.461  106.323   26.240 14.03936 29.96055 
1 1 1    4   15   33 o  208.800   19.171  106.920   18.706  105.882   26.244  107.992   26.669  207.803   27.024  209.798   27.200 -1.995483 38.34182 
1 1 1    4   15   34 o  166.770   15.270   69.373   11.001   73.428   13.490   61.321   19.009  175.472   16.450  158.068   25.732 17.40388 30.54097 
1 1 1    4   15   35 o  168.689   17.312   69.754   13.616   72.648   18.916   66.643   19.615  172.641   23.445  164.737   25.478 7.903885 34.62350 
1 1 1    4   15   36 o  100.539   22.911   25.540   10.525   25.540   10.525   0.0000   0.0000  100.539   22.911  ?   ?       ?      ? 
1 1 1    4   15   37 o  104.156   16.453   25.958   8.0090   0.0000   0.0000   25.958   8.0090  ?   ?   104.156   16.453      ?      ? 
1 1 1    4   15   38 o  217.787   16.750  114.661   16.098  123.061   28.132  110.572   19.630  221.908   27.126  213.666   19.658 8.241699 33.50016 
1 1 1    4   15   39 o   40.882   13.075  -3.4991   5.2903  -8.8808   9.1193  -0.7691   6.4950   40.394   18.974   41.371   17.994 -0.9764633 26.14929 
1 1 1    4   15   40 o  171.950   17.225   71.497   13.842   71.497   13.842   0.0000   0.0000  171.950   17.225  ?   ?       ?      ? 
1 1 1    4   15   41 o   81.864   24.444   17.157   10.067   17.157   10.067   0.0000   0.0000   81.864   24.444  ?   ?       ?      ? 
1 1 1    4   15   43 o   46.853   13.182   2.6813   4.5432   5.7416   5.6892  -2.7055   7.5480   51.838   18.542   41.868   18.743 9.970230 26.36442 
1 1 1    4   15   44 o  111.795   17.837   32.961   9.0918   32.568   12.602   33.388   13.130  111.248   24.864  112.343   25.581 -1.095055 35.67300 
1 1 1    4   15   45 o   51.071   14.293   4.1520   4.9783   1.5714   8.5655   5.4684   6.1176   50.342   21.245   51.800   19.125 -1.457787 28.58544 
1 1 1    4   15   46 o  103.801   15.324   27.171   6.9330   28.052   12.081   26.738   8.4659  102.924   25.296  104.678   17.305 -1.754272 30.64849 
1 1 1    4   15   47 o   72.675   14.438   13.559   5.1441   15.329   7.0609   11.557   7.5094   77.388   19.524   67.961   21.274 9.427635 28.87510 
1 1 1    4   15   48 o  251.479   20.913  168.877   22.741  173.391   27.817  159.779   39.491  262.576   22.668  240.383   35.152 22.19302 41.82695 
1 1 1    4   15   49 f  145.199   17.802   64.217   9.4098   72.353   10.864   39.789   18.825  173.176   13.424  117.221   32.977 55.95489 35.60447 
1 1 1    4   15   50 o   73.128   10.599   14.805   4.8911   28.702   6.1710  -8.6755   8.0213  109.474   12.062   36.781   17.433 72.69334 21.19871 
1 1 1    4   15   51 o   53.893   14.107   5.2501   5.0774   9.9789   6.9840  -0.0512   7.3947   63.265   20.596   44.522   19.282 18.74307 28.21314 
1 1 1    4   15   52 o  117.411   16.255   39.107   7.3922   41.877   8.5156   30.636   14.891  131.255   13.882  103.567   29.397 27.68802 32.50999 
1 1 1    4   15   53 o  112.549   14.776   30.142   7.3522   22.502   9.0231   45.234   12.683   91.976   21.395  133.123   20.385 -41.14661 29.55128 
1 1 1    4   15   54 o   78.468   18.339   16.671   7.8180   15.065   10.716   18.500   11.432   75.149   25.538   81.788   26.326 -6.638512 36.67766 
1 1 1    4   15   55 o   49.218   14.802   1.9254   5.9067   0.0000   9.4526   3.1588   7.5658   49.107   21.525   49.328   20.324 -0.2205391 29.60351 
1 1 1    4   15   56 o   94.879   14.472   24.495   6.4232   32.578   8.9389   15.867   9.2358  113.793   16.808   75.965   23.563 37.82778 28.94348 
1 1 1    4   15   57 o   38.577   12.392  -2.8586   4.9114   0.9783   5.7099 -13.7714   9.6295   40.460   17.222   36.693   17.822 3.767365 24.78405 
1 1 1    4   15   58 o   64.152   14.663   10.187   6.6503   19.593   7.9983 -10.8805   11.970   84.319   20.497   43.984   20.974 40.33480 29.32621 
1 1 1    4   15   59 o   51.119   13.874   5.3876   4.8182   8.0572   6.4351   1.9814   7.2687   56.363   19.763   45.876   19.477 10.48774 27.74753 
1 1 1    4   15   60 o  125.104   12.840   41.809   7.4990   40.594   10.720   42.973   10.494  122.881   18.666  127.328   17.635 -4.447105 25.67956 
1 1 1    4   15   61 o   43.496   12.928   2.1464   4.5468   4.3253   6.2114  -0.3691   6.6739   46.881   18.741   40.111   17.812 6.770092 25.85508 
1 1 1    4   15   62 o   54.848   11.226   2.7607   5.0321 -19.9623   7.8497   18.613   6.5565   27.696   13.899   82.000   17.633 -54.30462 22.45176 
1 1 1    4   15   63 o   47.176   13.317   4.9738   4.4241   3.7881   5.9762   6.4115   6.5805   44.183   18.117   50.169   19.522 -5.986015 26.63329 
1 1 1    4   15   64 f   73.077   16.165   15.077   5.5892   11.132   6.4923   26.371   10.985   60.169   19.871   85.986   25.504 -25.81722 32.33067 
1 1 1    4   15   65 o   46.456   12.713   4.7946   4.3296   9.1172   5.8262  -0.5365   6.4703   55.168   18.831   37.744   17.084 17.42402 25.42579 
1 1 1    4   15   66 o   85.909   14.120   23.224   5.4726   21.988   7.0434   25.105   8.6933   84.990   18.276   86.829   21.529 -1.838852 28.24020 
1 1 1    4   16    0 o  485.567   26.900  567.838   85.111  567.838   85.111  567.838   85.111  485.567   38.042  485.567   38.042 -0.000000 0.000000 
1 1 1    4   16    1 o  247.438   24.078  172.284   22.619   96.112   39.176  210.374   27.703  195.863   43.886  299.013   19.824 -103.1505 48.15588 
1 1 1    4   16    2 o  279.670   19.105  181.647   23.719  196.309   41.147  174.350   29.028  287.450   30.629  271.890   22.844 15.55981 38.21015 
1 1 1    4   16    3 o  793.893   51.463  1551.20  182.618  1840.09  316.380  1406.86  223.634  839.154   80.672  748.633   63.918 90.52094 102.9252 
1 1 1    4   16    4 o  325.153   25.548  250.056   38.823   0.0000   0.0000  250.056   38.823  ?   ?   325.153   25.548      ?      ? 
1 1 1    4   16    5 o  239.241   28.360  135.812   31.709  135.812   31.709   0.0000   0.0000  239.241   28.360  ?   ?       ?      ? 
1 1 1    4   16    6 o  419.687   32.131  454.747   56.891  358.304   98.536  502.972   69.678  380.190   55.457  459.183   32.469 -78.99265 64.26234 
1 1 1    4   16    7 o  289.694   23.271  219.445   27.834  154.030   48.200  252.171   34.093  252.524   40.842  326.864   22.318 -74.34076 46.54187 
1 1 1    4   16    8 o  371.995   26.532  346.216   42.351  295.427   73.329  371.636   51.878  348.380   45.038  395.611   28.059 -47.23129 53.06374 
1 1 1    4   16    9 o  256.821   15.125  155.742   18.126  165.682   25.626  145.790   25.641  265.108   20.683  248.534   22.075 16.57458 30.25056 
1 1 1    4   16   10 o  458.625   26.820  494.677   50.161  530.194  100.378  482.856   57.911  466.192   46.071  451.059   27.471 15.13351 53.63987 
1 1 1    4   16   11 o  324.114   19.186  231.484   27.900  188.034   34.117  319.202   48.475  281.694   25.915  366.533   28.298 -84.83963 38.37145 
1 1 1    4   16   12 o  216.073   19.141  129.625   15.772   73.824   27.088  158.247   19.400  172.621   34.779  259.525   15.995 -86.90347 38.28116 
1 1 1    4   16   13 o  172.535   15.669   70.731   12.420   55.085   17.302   87.366   17.840  152.546   24.269  192.524   19.827 -39.97812 31.33821 
1 1 1    4   16   14 o  290.617   15.858  201.158   21.260  163.943   29.994  238.732   30.139  263.092   24.394  318.141   20.270 -55.04904 31.71679 
1 1 1    4   16   15 o  204.609   15.363   98.601   13.897   97.970   17.062   99.845   23.955  203.998   17.896  205.221   24.977 -1.222778 30.72637 
1 1 1    4   16   16 f  383.743   21.635  351.867   38.758  333.199   54.805  370.545   54.819  373.332   31.411  394.154   29.759 -20.82123 43.26949 
1 1 1    4   16   17 o  677.516   47.679  1180.56  141.982  1210.42  245.880  1165.63  173.906  672.456   78.238  682.576   54.516 -10.12012 95.35786 
1 1 1    4   16   18 o  196.825   12.595   91.251   11.582   91.557   16.191   90.932   16.574  197.183   17.570  196.467   18.051 0.7156525 25.19007 
1 1 1    4   16   19 o  115.734   10.723   31.798   5.7432   35.155   7.8981   28.031   8.3664  122.340   13.814  109.129   16.404 13.21182 21.44566 
1 1 1    4   16   20 o  359.472   24.225  305.507   38.696  291.824   47.399  332.849   67.004  349.271   29.038  369.672   38.783 -20.40076 48.44923 
1 1 1    4   16   21 o  355.062   23.884  297.573   37.697  324.457   65.246  284.101   46.186  365.331   38.214  344.793   28.662 20.53799 47.76862 
1 1 1    4   16   22 o  326.753   18.279  254.395   27.900  262.800   39.389  245.932   39.523  332.286   25.364  321.219   26.327 11.06677 36.55798 
1 1 1    4   16   23 o   70.792   12.342   12.254   4.0387   11.865   5.4143   12.742   6.0640   69.541   16.839   72.043   18.048 -2.501831 24.68362 
1 1 1    4   16   24 o  251.899   16.332  141.861   18.469  189.123   32.066  118.400   22.592  280.931   24.424  222.867   21.691 58.06372 32.66480 
1 1 1    4   16   25 o  227.889   16.751  120.583   17.041  137.994   29.517  111.879   20.870  239.121   26.412  216.658   20.611 22.46349 33.50290 
1 1 1    4   16   26 o  310.068   36.787  239.466   53.308  239.466   53.308   0.0000   0.0000  310.068   36.787  ?   ?       ?      ? 
1 1 1    4   16   27 o  290.781   25.088  210.476   33.957  190.757   48.157  229.978   47.890  276.301   37.294  305.262   33.569 -28.96121 50.17621 
1 1 1    4   16   28 o  244.533   18.694  146.580   19.956  139.321   34.560  150.212   24.444  238.326   31.028  250.740   20.859 -12.41376 37.38814 
1 1 1    4   16   29 o  185.110   12.217   81.348   10.566   78.655   14.813   84.138   15.075  181.967   17.418  188.252   17.135 -6.284546 24.43376 
1 1 1    4   16   30 o  438.367   25.458  484.316   52.014  522.170   73.529  446.400   73.590  456.873   34.437  419.861   37.503 37.01218 50.91542 
1 1 1    4   16   31 o  390.067   35.555  449.137   54.143  318.662   93.699  514.540   66.339  325.411   63.892  454.724   31.216 -129.3138 71.10973 
1 1 1    4   16   32 o  286.346   24.968  209.502   33.413  208.430   47.130  210.586   47.376  285.611   35.309  287.082   35.311 -1.471405 49.93559 
1 1 1    4   16   33 o  309.547   21.843  237.118   29.835  230.004   36.461  251.532   51.902  306.053   25.491  313.041   35.477 -6.988525 43.68501 
1 1 1    4   16   34 o  180.819   24.763   80.173   20.926   80.173   20.926   0.0000   0.0000  180.819   24.763  ?   ?       ?      ? 
1 1 1    4   16   35 o  352.166   45.002  340.782   74.067   0.0000   0.0000  340.782   74.067  ?   ?   352.166   45.002      ?      ? 
1 1 1    4   16   36 o  126.766   15.673   38.400   9.2851   0.0000   0.0000   38.400   9.2851  ?   ?   126.766   15.673      ?      ? 
1 1 1    4   16   38 o   97.575   15.082   24.857   6.5136   27.258   8.0385   20.266   11.115  106.456   16.157   88.693   25.472 17.76326 30.16417 
1 1 1    4   16   39 o   73.497   17.318   13.042   6.9184   14.269   10.541   12.113   9.1700   76.202   25.326   70.791   23.627 5.410767 34.63584 
1 1 1    4   16   40 o  155.417   18.420   62.242   12.918   53.484   18.584   70.430   17.970  142.365   28.919  168.470   22.823 -26.10538 36.83992 
1 1 1    4   16   41 o  155.812   17.214   65.784   10.940   74.004   13.458   49.766   18.786  175.149   16.441  136.476   30.248 38.67279 34.42773 
1 1 1    4   16   42 o   97.365   17.397   24.225   8.1757   34.794   12.160   15.506   11.044  116.124   23.219   78.607   25.915 37.51711 34.79476 
1 1 1    4   16   43 o   73.935   15.810   14.762   6.0940   7.0472   11.241   17.973   7.2521   63.934   25.322   83.936   18.938 -20.00216 31.62049 
1 1 1    4   16   44 o  187.727   15.522   84.879   12.970   99.706   22.662   77.656   15.817  197.900   24.503  177.553   19.062 20.34651 31.04417 
1 1 1    4   16   45 o  225.841   17.469  129.557   17.283  128.845   21.126  130.997   30.053  228.261   19.803  223.420   28.783 4.841354 34.93711 
1 1 1    4   16   46 o  131.740   11.898   42.168   7.3130   38.913   10.150   45.683   10.546  126.347   17.189  137.134   16.455 -10.78690 23.79540 
1 1 1    4   16   47 o   42.288   12.423  -0.3692   4.3651  -5.3259   6.0625   4.9667   6.2902   33.582   15.675   50.993   19.277 -17.41121 24.84588 
1 1 1    4   16   48 o  117.365   16.333   38.186   8.2180   28.770   13.922   43.221   10.181  101.940   28.248  132.789   16.405 -30.84903 32.66573 
1 1 1    4   16   49 o   82.586   15.355   14.151   6.1084   6.7746   7.3399   30.771   11.017   56.645   20.942  108.526   22.462 -51.88184 30.71026 
1 1 1    4   16   50 o  118.056   15.529   35.217   7.8999   33.447   9.6134   38.898   13.863  116.161   17.708  119.952   25.514 -3.791046 31.05736 
1 1 1    4   16   51 o  109.493   13.715   34.758   6.2792   45.666   8.0592   17.909   10.017  137.528   12.539   81.458   24.397 56.07027 27.43091 
1 1 1    4   16   52 o   62.618   16.227   5.9167   7.0484  -3.8218   9.6161   17.224   10.362   45.541   20.698   79.695   24.997 -34.15333 32.45388 
1 1 1    4   16   53 o  101.303   16.455   26.560   8.4142   11.584   11.224   45.778   12.714   69.176   25.833  133.430   20.389 -64.25376 32.90922 
1 1 1    4   16   54 o   57.004   15.066   5.8529   6.3869  -9.1716   11.373   12.774   7.7190   44.715   21.061   69.293   21.549 -24.57768 30.13198 
1 1 1    4   16   55 o   98.517   16.987   25.626   9.2891   47.487   13.597   6.4958   12.720  134.208   21.679   62.826   26.158 71.38167 33.97385 
1 1 1    4   16   56 o   67.432   21.818   12.347   7.8439   12.347   7.8439   0.0000   0.0000   67.432   21.818  ?   ?       ?      ? 
1 1 1    4   16   57 o   56.347   16.043   3.8450   5.9289   0.4620   6.9166   13.218   11.513   42.789   18.590   69.905   26.152 -27.11547 32.08588 
1 1 1    4   16   58 o  109.074   12.635   30.393   6.1690   23.052   8.1063   40.495   9.5095   92.132   19.438  126.015   16.147 -33.88226 25.26945 
1 1 1    4   16   59 o   34.393   11.460  -5.4639   4.7620  -3.6347   6.1805  -8.1363   7.4704   34.638   16.052   34.148   16.361 0.4896812 22.92046 
1 1 1    4   16   60 o   56.730   14.370   8.2362   4.8093   6.2343   6.2851   11.064   7.4700   50.978   19.270   62.482   21.322 -11.50333 28.73947 
1 1 1    4   16   61 o   50.436   13.718   4.6832   4.8100   0.1012   6.3851   10.695   7.3137   39.762   17.550   61.109   21.089 -21.34703 27.43669 
1 1 1    4   16   62 f   86.691   15.348   23.646   6.2673   26.719   8.5446   20.069   9.2206   95.062   19.872   78.320   23.396 16.74229 30.69683 
1 1 1    4   16   63 o   61.825   13.945   12.073   5.0252   16.459   6.5258   5.6833   7.8769   74.139   18.805   49.512   20.597 24.62656 27.89071 
1 1 1    4   16   64 o   38.312   12.117  -1.1195   4.7060   3.7357   6.5118  -6.4275   6.8086   44.207   18.583   32.416   15.554 11.79145 24.23352 
1 1 1    4   16   65 o   46.000   13.037   5.1383   4.5974   8.4019   5.8372  -0.1937   7.4611   52.391   18.777   39.608   18.090 12.78319 26.07367 
1 1 1    4   17    0 o  502.513   21.357  602.022   70.345  602.022   70.345  602.022   70.345  502.513   30.203  502.513   30.203 -0.000000 0.000000 
1 1 1    4   17    1 o  159.775   9.0655   60.140   6.7115   50.873   9.4503   69.571   9.5332  147.257   13.732  172.293   11.839 -25.03636 18.13099 
1 1 1    4   17    2 o  256.950   20.480  174.809   19.869  125.925   39.745  191.096   22.942  228.822   37.166  285.077   17.220 -56.25513 40.96088 
1 1 1    4   17    3 f  171.342   12.590   67.044   8.7873   73.220   17.757   65.042   10.112  176.147   21.570  166.538   12.993 9.609009 25.18082 
1 1 1    4   17    4 f  186.313   11.023   69.934   8.6477  110.694   17.544   56.852   9.9390  216.956   17.303  155.669   13.661 61.28651 22.04595 
1 1 1    4   17    5 o  802.478   59.502  1775.06  185.616  1623.06  371.238  1825.73  214.329  747.136  106.319  857.820   53.462 -110.6844 119.0034 
1 1 1    4   17    6 o  207.650   15.775  102.036   14.431  101.318   24.927  102.397   17.699  206.720   25.802  208.579   18.156 -1.858749 31.54955 
1 1 1    4   17    7 f  281.081   16.996  184.321   19.433  192.524   38.899  181.593   22.433  284.320   29.275  277.841   17.276 6.478638 33.99216 
1 1 1    4   17    8 o  386.344   29.814  406.844   43.001  284.914   85.903  447.611   49.672  337.973   54.386  434.715   24.449 -96.74246 59.62843 
1 1 1    4   17    9 o  321.278   20.303  243.502   28.825  252.889   49.998  238.829   35.278  324.926   32.925  317.629   23.765 7.296906 40.60561 
1 1 1    4   17   10 o   80.807   8.9201   15.240   3.3405   15.876   5.1071   14.765   4.4162   82.257   13.285   79.358   11.907 2.898705 17.84027 
1 1 1    4   17   11 o  405.533   23.683  370.011   39.909  449.157   79.777  343.594   46.090  430.585   39.644  380.480   25.920 50.10406 47.36539 
1 1 1    4   17   12 o  776.815   49.274  1548.32  153.856  1610.13  307.678  1527.71  177.664  766.333   85.909  787.298   48.286 -20.96490 98.54832 
1 1 1    4   17   13 o  311.402   15.501  223.859   22.248  262.470   35.219  198.220   28.699  333.108   22.623  289.695   21.198 43.41312 31.00242 
1 1 1    4   17   14 o  484.556   33.109  574.999   70.700  567.351   86.565  590.321  122.527  483.937   38.275  485.176   54.037 -1.238739 66.21883 
1 1 1    4   17   15 o  146.708   13.896   51.603   8.7643   52.907   10.582   48.755   15.639  150.013   15.094  143.404   23.336 6.609253 27.79157 
1 1 1    4   17   16 o  376.950   21.441  341.016   37.687  366.498   53.276  315.492   53.319  391.431   29.123  362.470   31.475 28.96082 42.88165 
1 1 1    4   17   17 o  445.082   25.928  438.250   51.508  666.495   89.356  324.667   63.035  524.347   36.464  365.817   36.870 158.5300 51.85576 
1 1 1    4   17   18 f  227.619   15.388  119.258   15.532  112.436   18.923  133.347   27.193  218.320   18.546  236.919   24.559 -18.59859 30.77524 
1 1 1    4   17   19 o  326.205   18.779  256.148   28.207  305.215   39.860  206.930   39.922  358.444   23.794  293.965   29.058 64.47913 37.55732 
1 1 1    4   17   20 o  387.279   28.236  383.341   46.899  409.379   57.448  331.312   81.208  412.232   29.819  362.325   47.957 49.90628 56.47190 
1 1 1    4   17   21 o  295.710   16.012  208.877   22.091  194.456   31.139  223.491   31.345  285.227   23.360  306.194   21.905 -20.96729 32.02330 
1 1 1    4   17   22 o  193.398   15.415   97.972   12.407   66.840   20.965  114.751   15.392  166.336   26.969  220.460   14.939 -54.12390 30.83055 
1 1 1    4   17   23 o  366.038   27.619  339.567   44.057  324.844   76.300  346.930   53.961  355.196   45.964  376.881   30.636 -21.68500 55.23806 
1 1 1    4   17   24 o  141.951   16.045   49.070   10.372   46.216   15.010   51.678   14.350  136.760   24.379  147.141   20.867 -10.38097 32.08988 
1 1 1    4   17   25 o  218.507   19.119  115.672   19.507  122.024   27.808  109.517   27.373  224.567   26.496  212.446   27.569 12.12123 38.23709 
1 1 1    4   17   26 o  416.705   24.199  432.439   46.778  489.392   66.140  375.439   66.168  445.967   31.734  387.443   36.542 58.52399 48.39796 
1 1 1    4   17   27 o  333.291   21.798  259.808   32.558  228.671   39.836  322.457   56.505  306.267   27.831  360.315   33.555 -54.04779 43.59517 
1 1 1    4   17   28 o  181.090   15.705   79.771   12.464   76.343   21.486   81.510   15.301  177.164   25.950  185.016   17.696 -7.851456 31.40935 
1 1 1    4   17   29 o  227.054   16.774  122.633   16.957  133.172   29.211  117.277   20.824  233.108   26.813  221.000   20.162 12.10881 33.54803 
1 1 1    4   17   30 o  109.592   21.902   30.015   10.825   30.015   10.825   0.0000   0.0000  109.592   21.902  ?   ?       ?      ? 
1 1 1    4   17   31 o  257.888   22.456  168.238   26.810  142.702   37.723  194.302   38.111  236.584   34.117  279.192   29.209 -42.60774 44.91246 
1 1 1    4   17   32 o  114.572   15.472   31.771   8.0734   26.269   10.691   39.075   12.316  102.006   22.977  127.138   20.728 -25.13174 30.94489 
1 1 1    4   17   33 o   54.419   21.174   4.7371   7.7411   0.0000   0.0000   4.7371   7.7411  ?   ?    54.419   21.174      ?      ? 
1 1 1    4   17   34 o  257.172   22.227  161.516   26.714   0.0000   0.0000  161.516   26.714  ?   ?   257.172   22.227      ?      ? 
1 1 1    4   17   35 o  224.561   28.816  127.408   30.243   0.0000   0.0000  127.408   30.243  ?   ?   224.561   28.816      ?      ? 
1 1 1    4   17   36 o  138.254   22.390   47.099   14.467   47.099   14.467   0.0000   0.0000  138.254   22.390  ?   ?       ?      ? 
1 1 1    4   17   37 o   51.641   17.904   5.9292   5.2745   5.9292   5.2745   0.0000   0.0000   51.641   17.904  ?   ?       ?      ? 
1 1 1    4   17   38 o   55.656   14.111   6.4357   4.3128   6.1972   5.0722   7.0581   8.1937   52.022   17.571   59.291   22.085 -7.269196 28.22241 
1 1 1    4   17   39 o  182.077   25.360   83.292   21.580   83.292   21.580   0.0000   0.0000  182.077   25.360  ?   ?       ?      ? 
1 1 1    4   17   40 o   65.408   15.742   9.2711   6.1954   15.324   8.6395   2.8634   8.8891   77.490   22.516   53.325   22.007 24.16496 31.48460 
1 1 1    4   17   41 o  145.491   14.071   46.932   8.7899   78.562   15.560   32.107   10.652  178.884   18.612  112.098   21.108 66.78635 28.14156 
1 1 1    4   17   42 o  147.904   18.358   57.229   12.169   73.650   17.627   42.278   16.819  171.330   22.015  124.479   29.384 46.85130 36.71562 
1 1 1    4   17   43 o  180.902   16.192   83.413   12.609   79.288   22.261   85.362   15.300  174.865   27.239  186.939   17.513 -12.07344 32.38313 
1 1 1    4   17   44 o  128.557   17.063   48.148   9.0149   57.525   10.999   28.956   15.735  154.257   15.257  102.858   30.526 51.39838 34.12669 
1 1 1    4   17   45 o  142.012   12.784   50.200   8.2444   37.342   11.705   62.860   11.614  122.763   20.401  161.260   15.411 -38.49792 25.56764 
1 1 1    4   17   46 o  230.734   17.948  132.717   18.515  156.987   32.029  120.536   22.690  243.333   28.164  218.135   22.257 25.19856 35.89678 
1 1 1    4   17   47 o  162.479   17.591   65.072   13.358   65.072   13.358   0.0000   0.0000  162.479   17.591  ?   ?       ?      ? 
1 1 1    4   17   48 o  138.355   12.630   47.578   8.0599   39.311   11.420   55.783   11.377  125.604   19.454  151.106   16.111 -25.50269 25.25906 
1 1 1    4   17   49 o   60.808   14.938   8.8075   5.2285   10.295   7.3343   7.2709   7.4556   64.112   21.117   57.504   21.133 6.608433 29.87521 
1 1 1    4   17   50 o   99.809   16.554   24.900   7.2381   34.006   12.815   20.634   8.7712  111.522   25.183   88.095   21.495 23.42660 33.10857 
1 1 1    4   17   51 o   53.307   15.223   3.7725   5.5444   2.0019   6.7317   7.5070   9.7762   45.636   19.018   60.978   23.776 -15.34172 30.44638 
1 1 1    4   17   52 o   86.541   26.798   21.150   11.952   0.0000   0.0000   21.150   11.952  ?   ?    86.541   26.798      ?      ? 
1 1 1    4   17   53 o   41.251   13.562  -6.3422   6.3985  -2.4430   8.1750 -12.5080   10.280   42.936   19.340   39.565   19.019 3.370792 27.12472 
1 1 1    4   17   54 o   52.813   15.597   2.9020   6.1141   6.8011   10.571   0.9419   7.4949   60.154   24.307   45.471   19.552 14.68291 31.19469 
1 1 1    4   17   55 f   94.377   17.408   24.026   7.2715   20.967   8.6776   31.236   13.324   86.900   21.488  101.855   27.394 -14.95480 34.81618 
1 1 1    4   17   56 o  130.031   14.393   42.237   8.7466   42.237   8.7466   0.0000   0.0000  130.031   14.393  ?   ?       ?      ? 
1 1 1    4   17   57 o   90.974   14.095   22.576   5.7754   21.787   7.6057   23.651   8.8760   89.832   18.723   92.115   21.075 -2.283020 28.19033 
1 1 1    4   17   58 o   51.659   15.585   0.4813   7.3917 -10.5855   10.638   10.811   10.278   40.261   19.352   63.057   24.436 -22.79589 31.17086 
1 1 1    4   17   59 o   76.179   14.731   16.216   5.4208   12.308   7.0904   21.712   8.4094   65.583   20.694   86.775   20.970 -21.19167 29.46105 
1 1 1    4   17   60 o   47.160   13.562   3.8973   4.9212   7.0489   6.4090  -0.6306   7.6819   52.426   19.532   41.895   18.821 10.53117 27.12394 
1 1 1    4   17   61 o   94.244   13.984   25.914   5.8847   24.265   7.6388   28.321   9.2295   91.816   18.442   96.672   21.027 -4.856049 27.96885 
1 1 1    4   17   62 o   52.682   14.142   7.4482   4.8163   4.9403   6.3520   10.840   7.3870   46.397   18.809   58.967   21.124 -12.56992 28.28430 
1 1 1    4   17   63 o   44.541   13.197   3.6037   4.6271   1.6819   6.2006   6.0187   6.9509   40.285   17.551   48.797   19.713 -8.512577 26.39382 
1 1 1    4   17   64 o  101.064   13.591   30.481   6.2311   24.610   8.1274   38.853   9.7055   87.854   20.215  114.274   18.173 -26.41955 27.18255 
1 1 1    4   18    0 o  621.051   27.284  927.119  111.003  927.119  111.003  927.119  111.003  621.051   38.585  621.051   38.585 -0.000000 0.000000 
1 1 1    4   18    1 o  768.308   41.803  1516.42  144.962  1096.60  204.957  1936.66  205.057  651.345   67.330  885.271   49.563 -233.9260 83.60506 
1 1 1    4   18    2 o  177.787   11.847   74.525   9.8094   81.550   13.859   67.472   13.887  186.260   15.921  169.314   17.549 16.94614 23.69488 
1 1 1    4   18    3 o  796.015   58.184  1692.54  203.870  1786.05  353.153  1645.80  249.675  793.776   95.197  798.255   66.925 -4.478699 116.3677 
1 1 1    4   18    4 o  268.528   18.944  172.277   22.332  168.579   38.670  174.128   27.355  265.565   31.157  271.492   21.559 -5.926880 37.88899 
1 1 1    4   18    5 o  152.296   12.939   55.758   7.8108   52.482   15.833   56.812   8.9796  148.949   22.744  155.642   12.345 -6.693161 25.87858 
1 1 1    4   18    6 o  598.858   35.258  843.226   87.068  988.554  174.192  794.825  100.526  624.143   59.717  573.573   37.501 50.56964 70.51608 
1 1 1    4   18    7 o  594.669   39.749  920.784   92.653  825.997  185.275  952.394  106.993  561.099   70.654  628.238   36.441 -67.13885 79.49775 
1 1 1    4   18    8 o  807.858   43.444  1530.65  146.561  2007.77  293.217  1371.75  169.216  871.514   71.990  744.202   48.653 127.3123 86.88866 
1 1 1    4   18    9 o  475.658   27.303  509.297   54.123  641.767  108.329  465.230   62.481  510.412   45.413  440.903   30.322 69.50952 54.60567 
1 1 1    4   18   10 o  469.883   25.761  536.283   56.269  597.819   79.562  474.701   79.592  497.918   34.190  441.848   38.544 56.07068 51.52271 
1 1 1    4   18   11 o  128.790   11.462   37.811   6.0075   41.576   12.175   36.598   6.9070  132.676   19.635  124.905   11.832 7.771553 22.92436 
1 1 1    4   18   12 o  544.991   28.486  640.506   65.595  940.947  131.246  540.474   75.732  616.808   45.530  473.174   34.246 143.6333 56.97152 
1 1 1    4   18   13 o  493.366   38.586  664.428   78.496  754.277   96.156  484.935  135.908  557.711   36.891  429.020   67.783 128.6908 77.17237 
1 1 1    4   18   14 o  288.251   22.377  211.577   27.304  233.435   33.445  167.898   47.278  313.807   22.804  262.696   38.509 51.11139 44.75457 
1 1 1    4   18   15 o  292.070   16.431  202.509   22.426  199.579   31.697  205.446   31.735  289.924   23.393  294.216   23.079 -4.292450 32.86179 
1 1 1    4   18   16 f  359.745   27.149  330.049   41.772  354.396   51.131  281.193   72.431  384.297   28.469  335.193   46.237 49.10474 54.29864 
1 1 1    4   18   17 o  103.158   10.248   25.261   4.9017   28.017   6.8050   22.288   7.0664  109.115   13.345   97.200   15.556 11.91516 20.49532 
1 1 1    4   18   18 o  497.016   43.903  677.023  101.773  634.797  143.957  719.217  143.900  478.827   64.330  515.205   59.764 -36.37796 87.80657 
1 1 1    4   18   19 o  116.493   10.115   31.975   5.5023   30.206   7.6411   33.880   7.9296  113.141   14.451  119.846   14.158 -6.705551 20.23030 
1 1 1    4   18   20 o  375.806   21.977  349.884   37.702  432.583   53.335  267.283   53.303  422.860   26.988  328.753   34.693 94.10629 43.95378 
1 1 1    4   18   21 o  136.770   14.809   44.651   9.4641   45.880   13.463   43.451   13.307  138.653   20.776  134.886   21.109 3.766571 29.61818 
1 1 1    4   18   22 o  527.996   47.821  802.286  117.414  878.068  166.116  726.626  165.982  558.633   63.627  497.358   71.408 61.27490 95.64270 
1 1 1    4   18   23 o  167.071   11.543   66.182   9.0039   67.538   12.544   64.740   12.932  168.898   15.892  165.244   16.745 3.653564 23.08553 
1 1 1    4   18   24 f  207.692   16.381  105.963   14.826   97.199   25.523  110.425   18.214  199.916   27.317  215.468   18.087 -15.55113 32.76266 
1 1 1    4   18   25 o  216.169   13.901  111.853   14.017  118.561   19.698  104.972   19.950  222.926   18.907  209.413   20.384 13.51317 27.80285 
1 1 1    4   18   26 o   63.045   14.508   8.8160   4.7653   11.378   7.9222   7.3634   5.9650   69.093   21.882   56.998   19.056 12.09527 29.01576 
1 1 1    4   18   27 o  188.592   15.283   86.178   12.696   84.929   21.837   86.815   15.605  186.512   25.052  190.673   17.512 -4.161163 30.56569 
1 1 1    4   18   28 o  240.643   21.242  144.928   23.784  129.360   33.446  160.856   33.830  226.735   31.563  254.551   28.437 -27.81595 42.48411 
1 1 1    4   18   29 f   45.304   13.183   2.1228   4.2342   3.6800   4.8723  -2.6807   8.5577   45.234   16.995   45.373   20.158 -0.1390762 26.36599 
1 1 1    4   18   30 o   50.352   14.058   3.6291   4.8737   4.3311   6.4760   2.7122   7.4012   50.738   19.468   49.965   20.286 0.7725792 28.11654 
1 1 1    4   18   32 o  165.760   16.640   65.834   12.891   0.0000   0.0000   65.834   12.891  ?   ?   165.760   16.640      ?      ? 
1 1 1    4   18   33 o  308.340   39.229  255.641   56.530   0.0000   0.0000  255.641   56.530  ?   ?   308.340   39.229      ?      ? 
1 1 1    4   18   34 o   96.445   15.905   23.755   7.0332   23.936   10.153   23.588   9.7521   96.713   22.829   96.177   22.153 0.5362091 31.81094 
1 1 1    4   18   35 o  174.865   17.322   76.564   14.146   80.459   20.156   72.784   19.857  179.468   24.032  170.263   24.954 9.204895 34.64460 
1 1 1    4   18   36 o  179.567   17.894   81.426   14.985   76.412   21.307   86.333   21.079  173.580   26.265  185.555   24.307 -11.97504 35.78706 
1 1 1    4   18   37 o  163.190   23.922   66.386   18.244   66.386   18.244   0.0000   0.0000  163.190   23.922  ?   ?       ?      ? 
1 1 1    4   18   38 o  150.994   13.432   51.864   9.1273   71.656   15.698   41.755   11.219  171.038   19.638  130.951   18.331 40.08670 26.86403 
1 1 1    4   18   39 o  263.585   22.362  191.742   25.029  163.426   43.181  206.069   30.716  240.641   38.395  286.530   22.938 -45.88849 44.72497 
1 1 1    4   18   40 o   95.126   15.106   23.524   6.2126   24.413   7.4194   21.437   11.364  100.317   15.825   89.935   25.735 10.38162 30.21144 
1 1 1    4   18   41 o   63.403   12.525   9.2016   4.3004   2.8414   5.8494   16.683   6.3439   45.486   18.186   81.320   17.228 -35.83421 25.05047 
1 1 1    4   18   42 f  103.992   14.834   27.291   6.8365   27.693   11.314   27.060   8.5801  102.727   23.998  105.257   17.442 -2.529961 29.66740 
1 1 1    4   18   43 o  201.370   20.778  118.696   16.342   77.215   28.003  140.120   20.125  163.464   37.458  239.277   17.996 -75.81325 41.55666 
1 1 1    4   18   44 o  287.752   17.488  211.964   23.426  231.450   33.098  192.403   33.162  302.296   23.428  273.209   25.972 29.08682 34.97693 
1 1 1    4   18   45 o   53.320   13.284   4.6153   4.7647   11.659   6.6867  -2.6504   6.7912   67.461   19.868   39.179   17.640 28.28195 26.56881 
1 1 1    4   18   46 o   77.519   16.063   15.433   5.9199   15.223   7.1544   15.889   10.542   76.756   19.810   78.281   25.290 -1.525192 32.12528 
1 1 1    4   18   47 o  105.035   16.163   27.834   7.4242   24.473   9.1444   34.336   12.717   96.916   20.811  113.154   24.737 -16.23820 32.32678 
1 1 1    4   18   48 o   59.562   14.851   8.3124   5.1862   6.6656   7.4138   9.8903   7.2573   56.109   20.987   63.015   21.018 -6.905899 29.70217 
1 1 1    4   18   49 f   70.686   18.518   11.983   8.0721   12.797   12.241   11.357   10.737   72.549   27.001   68.823   25.350 3.726326 37.03610 
1 1 1    4   18   50 o   92.632   18.947   24.249   8.6777   25.334   11.944   23.035   12.629   95.058   26.093   90.205   27.480 4.853195 37.89396 
1 1 1    4   18   51 o   75.842   18.846   15.450   8.3462   12.916   12.423   17.534   11.268   72.062   27.125   79.621   26.172 -7.558685 37.69296 
1 1 1    4   18   52 o  146.270   28.236   61.537   18.603   0.0000   0.0000   61.537   18.603  ?   ?   146.270   28.236      ?      ? 
1 1 1    4   18   53 o   54.264   22.788   3.7044   9.7770   0.0000   0.0000   3.7044   9.7770  ?   ?    54.264   22.788      ?      ? 
1 1 1    4   18   54 o  116.799   29.536   42.453   16.133   42.453   16.133   0.0000   0.0000  116.799   29.536  ?   ?       ?      ? 
1 1 1    4   18   55 o  105.243   14.257   27.628   7.0124   27.628   7.0124   0.0000   0.0000  105.243   14.257  ?   ?       ?      ? 
1 1 1    4   18   56 o   54.445   14.657   2.2995   5.3592  -3.6105   6.4492   15.488   9.6340   35.822   16.529   73.067   24.209 -37.24517 29.31349 
1 1 1    4   18   57 o   48.335   13.772   4.3841   4.9341   6.8726   6.4352   0.8340   7.6861   52.502   19.569   44.169   19.384 8.332584 27.54441 
1 1 1    4   18   58 o   37.319   12.158  -3.1779   4.8903  -0.1628   5.8758  -9.9734   8.8212   38.283   16.870   36.355   17.511 1.928333 24.31537 
1 1 1    4   18   59 o   49.665   19.330   5.8445   6.4526   5.8445   6.4526   0.0000   0.0000   49.665   19.330  ?   ?       ?      ? 
1 1 1    4   18   60 o   44.575   13.733   2.2294   5.4030   3.8306   7.0823   0.0001   8.3569   46.038   19.368   43.112   19.474 2.925755 27.46531 
1 1 1    4   18   61 o   48.792   14.101   0.5759   4.7488  -4.1433   5.4424   15.631   9.7207   30.663   14.481   66.921   24.200 -36.25768 28.20191 
1 1 1    4   18   62 o   41.347   12.683   2.1402   4.4747   2.4406   5.7408   1.6750   7.1429   40.576   17.270   42.119   18.578 -1.542622 25.36546 
1 1 1    4   18   63 o   84.906   14.584   22.748   5.6546   19.317   7.2769   27.978   8.9838   77.479   19.970   92.332   21.259 -14.85297 29.16745 
1 1 1    4   19    0 o   89.616   8.5016   19.790   4.7810   19.790   4.7810   19.790   4.7810   89.616   12.023   89.616   12.023 -0.000000 0.000000 
1 1 1    4   19    1 o  591.061   28.962  859.636   78.046  831.169  123.385  878.622  100.767  579.706   45.542  602.416   35.791 -22.71045 57.92323 
1 1 1    4   19    2 o  544.820   26.446  707.500   66.402  801.611  105.009  644.797   85.714  573.437   39.183  516.204   35.529 57.23322 52.89293 
1 1 1    4   19    3 o  371.612   22.872  326.958   34.533  342.945   69.128  321.642   39.863  374.984   39.446  368.240   23.163 6.744080 45.74387 
1 1 1    4   19    4 o  107.826   10.384   24.330   4.6591   34.205   9.5446   21.240   5.3383  120.505   16.948   95.148   12.005 25.35675 20.76890 
1 1 1    4   19    5 o  636.036   36.387  980.015  108.161   0.0000   0.0000  980.015  108.161  ?   ?   636.036   36.387      ?      ? 
1 1 1    4   19    6 o  403.430   25.217  386.990   47.544   0.0000   0.0000  386.990   47.544  ?   ?   403.430   25.217      ?      ? 
1 1 1    4   19    7 o   74.916   12.101   13.168   4.2367   0.0000   0.0000   13.168   4.2367  ?   ?    74.916   12.101      ?      ? 
1 1 1    4   19    8 o  183.616   14.259   83.124   10.359   73.126   20.649   86.486   11.974  175.332   25.200  191.900   13.352 -16.56731 28.51856 
1 1 1    4   19    9 o  399.095   25.118  381.281   40.644  395.736   81.293  376.464   46.930  400.533   43.428  397.657   25.252 2.876190 50.23626 
1 1 1    4   19   10 o   73.185   17.027   13.132   5.7142   0.0000   0.0000   13.132   5.7142  ?   ?    73.185   17.027      ?      ? 
1 1 1    4   19   11 o  137.000   9.7793   45.361   6.0413   38.784   9.4789   49.860   7.8400  128.267   15.812  145.733   11.511 -17.46638 19.55865 
1 1 1    4   19   12 o  263.745   13.953  164.657   16.865  167.029   26.670  163.076   21.770  264.942   21.539  262.548   17.743 2.394379 27.90582 
1 1 1    4   19   13 o   70.845   10.204   12.177   3.2287   12.745   5.0047   11.772   4.2256   72.149   15.316   69.540   13.489 2.608406 20.40886 
1 1 1    4   19   14 o  105.199   9.9479   26.101   4.8892   26.933   6.9250   25.274   6.9037  106.885   13.863  103.513   14.271 3.371780 19.89581 
1 1 1    4   19   15 o  160.742   15.468   66.382   10.190   73.355   12.486   52.478   17.633  176.219   15.161  145.264   26.966 30.95514 30.93582 
1 1 1    4   19   16 o  198.607   13.768   87.949   12.251   74.432   14.948  115.610   21.383  177.078   18.062  220.136   20.784 -43.05745 27.53573 
1 1 1    4   19   17 o  168.970   11.265   67.558   8.8861   63.580   12.488   71.638   12.647  163.881   16.305  174.059   15.547 -10.17807 22.52929 
1 1 1    4   19   18 o  292.717   16.407  205.804   22.402  190.899   31.619  220.824   31.742  281.795   24.009  303.639   22.368 -21.84442 32.81438 
1 1 1    4   19   19 o  317.622   26.659  254.141   39.154  214.289   55.335  294.100   55.409  290.754   40.722  344.490   34.416 -53.73624 53.31762 
1 1 1    4   19   20 o   88.573   13.222   18.109   4.9003   16.376   5.7788   22.545   9.2452   81.860   15.676   95.286   21.296 -13.42677 26.44375 
1 1 1    4   19   21 o  424.965   23.646  449.661   46.640  391.975   65.903  507.543   66.015  395.892   35.619  454.037   31.111 -58.14505 47.29252 
1 1 1    4   19   22 o  291.270   17.644  207.353   23.666  246.104   33.413  168.345   33.523  319.849   22.353  262.692   27.306 57.15698 35.28835 
1 1 1    4   19   23 o  162.331   16.812   73.326   10.733   43.267   18.025   89.839   13.360  129.925   30.250  194.737   14.679 -64.81221 33.62331 
1 1 1    4   19   24 f  304.944   26.111  246.639   33.471  148.744   46.997  347.399   47.680  233.911   44.619  375.976   27.135 -142.0645 52.22254 
1 1 1    4   19   25 o  146.622   16.921   53.292   11.273   55.725   15.426   50.505   16.514  151.718   21.756  141.527   25.923 10.19086 33.84284 
1 1 1    4   19   26 o  467.109   46.715  683.862  101.872  656.118  144.001  711.659  144.136  454.463   67.799  479.756   64.285 -25.29263 93.43050 
1 1 1    4   19   27 o  172.575   19.760   76.969   14.953   99.415   20.905   53.453   21.397  202.369   22.104  142.782   32.761 59.58672 39.52047 
1 1 1    4   19   28 o  127.564   17.765   43.128   10.280   61.068   14.176   23.232   14.928  159.255   19.046   95.873   29.993 63.38169 35.52915 
1 1 1    4   19   29 o   72.794   22.638   12.970   8.5187   0.0000   0.0000   12.970   8.5187  ?   ?    72.794   22.638      ?      ? 
1 1 1    4   19   30 o   78.822   18.409   15.548   6.6586   0.0000   0.0000   15.548   6.6586  ?   ?    78.822   18.409      ?      ? 
1 1 1    4   19   31 o  206.923   27.287  107.528   26.388   0.0000   0.0000  107.528   26.388  ?   ?   206.923   27.287      ?      ? 
1 1 1    4   19   32 o   72.949   15.506   12.651   6.0668   6.4149   8.4108   19.414   8.7594   58.621   22.259   87.277   21.593 -28.65556 31.01213 
1 1 1    4   19   33 o  177.437   17.832   79.385   14.722   87.493   20.844   71.314   20.798  187.178   23.828  167.696   26.537 19.48117 35.66434 
1 1 1    4   19   34 o  135.672   13.541   44.532   8.1114   43.664   9.9305   46.274   14.060  134.644   15.781  136.699   22.008 -2.055527 27.08177 
1 1 1    4   19   35 o  120.425   16.335   36.974   8.8574   38.170   12.700   35.842   12.360  122.385   23.049  118.465   23.154 3.920563 32.67063 
1 1 1    4   19   36 o  126.855   16.024   38.806   9.4997   0.0000   0.0000   38.806   9.4997  ?   ?   126.855   16.024      ?      ? 
1 1 1    4   19   37 o   98.668   14.610   26.264   6.2990   19.153   10.710   30.024   7.7883   85.705   25.118  111.630   14.929 -25.92436 29.21953 
1 1 1    4   19   38 o  193.806   17.900   92.039   16.213   0.0000   0.0000   92.039   16.213  ?   ?   193.806   17.900      ?      ? 
1 1 1    4   19   39 o  112.445   15.030   31.877   7.1628   31.609   8.6342   32.468   12.828  114.094   16.193  110.797   25.325 3.297363 30.05939 
1 1 1    4   19   40 o   86.537   12.642   18.494   5.0566   11.999   6.8439   26.301   7.5039   68.798   20.054  104.275   15.398 -35.47660 25.28397 
1 1 1    4   19   41 o   54.205   13.326   6.0257   4.1777   3.5195   5.4416   9.6233   6.5197   45.874   17.780   62.537   19.855 -16.66328 26.65240 
1 1 1    4   19   42 o  158.731   14.003   58.721   9.8823   51.492   11.970   74.197   17.514  145.160   17.644  172.301   21.749 -27.14110 28.00626 
1 1 1    4   19   43 o  151.322   11.849   56.303   8.2618   45.192   11.497   68.166   11.880  135.199   18.196  167.446   15.181 -32.24747 23.69727 
1 1 1    4   19   44 o   94.330   13.255   22.621   5.6291   20.797   7.6862   24.731   8.2672   90.109   18.857   98.552   18.632 -8.442963 26.50926 
1 1 1    4   19   45 o  104.409   16.000   29.785   7.1826   32.358   8.6256   23.965   12.972  115.103   16.035   93.714   27.694 21.38966 32.00076 
1 1 1    4   19   46 o  103.190   12.920   26.690   6.0425   25.466   7.9690   28.346   9.2682  101.572   16.787  104.809   19.643 -3.236031 25.83940 
1 1 1    4   19   47 o  154.068   12.514   59.457   8.8059   44.958   12.223   75.100   12.697  133.324   19.617  174.812   15.541 -41.48750 25.02729 
1 1 1    4   19   48 o  153.457   14.847   53.547   9.6308   33.721   11.677   95.719   17.031  112.061   23.066  194.852   18.702 -82.79082 29.69477 
1 1 1    4   19   49 o   88.344   14.150   24.772   6.9995   37.000   8.4818  -1.3359   12.393  122.626   14.800   54.062   24.122 68.56387 28.30060 
1 1 1    4   19   50 o  108.530   18.066   33.123   9.0870   39.912   13.056   26.743   12.655  120.627   24.003   96.433   27.006 24.19423 36.13186 
1 1 1    4   19   51 o   92.684   27.330   24.995   12.645   0.0000   0.0000   24.995   12.645  ?   ?    92.684   27.330      ?      ? 
1 1 1    4   19   52 o   94.827   28.413   27.172   13.584   0.0000   0.0000   27.172   13.584  ?   ?    94.827   28.413      ?      ? 
1 1 1    4   19   53 o   44.206   18.851   1.4918   6.8630   1.4918   6.8630   0.0000   0.0000   44.206   18.851  ?   ?       ?      ? 
1 1 1    4   19   54 o   69.626   16.681   11.709   6.8076   4.9751   8.8643   21.391   10.629   53.845   22.070   85.408   25.020 -31.56313 33.36248 
1 1 1    4   19   55 o   65.380   15.389   9.9721   6.8420   21.376   9.2375  -3.8870   10.184   85.706   22.701   45.054   20.782 40.65228 30.77719 
1 1 1    4   19   56 o   54.966   15.122   0.7181   6.6546 -11.4347   8.7139   17.723   10.308   34.893   16.949   75.039   25.049 -40.14600 30.24488 
1 1 1    4   19   57 o   62.793   15.279   11.229   5.6096   7.4792   8.7701   13.825   7.2976   56.321   22.348   69.264   20.842 -12.94252 30.55848 
1 1 1    4   19   58 o   43.989   13.658   0.6209   5.2438  -1.9624   6.5939   5.0653   8.6490   37.157   16.985   50.822   21.393 -13.66517 27.31532 
1 1 1    4   19   59 o   50.852   14.763   5.8777   5.2723   5.0747   6.3218   7.7122   9.5552   47.028   18.869   54.677   22.711 -7.649734 29.52667 
1 1 1    4   19   60 o   43.096   13.486   1.3650   4.9591  -0.1059   5.9557   4.6905   8.9552   37.149   16.638   49.044   21.230 -11.89520 26.97298 
1 1 1    4   19   61 o   31.530   10.760  -6.1915   4.5098  -3.7214   5.2984 -12.6864   8.5917   30.552   14.386   32.509   16.006 -1.957428 21.52057 
1 1 1    4   19   62 o   31.304   10.698  -7.4003   4.7724  -3.4755   6.8553 -11.0913   6.6479   34.592   16.311   28.015   13.847 6.576830 21.39610 
1 1 1    4   20    0 o  299.455   17.513  216.358   34.116  216.358   34.116  216.358   34.116  299.455   24.767  299.455   24.767 -0.000000 0.000000 
1 1 1    4   20    1 o  327.607   30.468  314.196   37.383  176.180   64.634  383.571   45.825  254.956   55.794  400.258   24.497 -145.3022 60.93501 
1 1 1    4   20    2 f  255.962   21.643  159.046   25.890  158.343   36.620  159.749   36.609  255.373   30.683  256.551   30.534 -1.178253 43.28681 
1 1 1    4   20    3 o  131.582   11.615   37.230   6.8121   56.198   11.934   28.063   8.2965  154.187   16.561  108.977   16.290 45.21038 23.23015 
1 1 1    4   20    4 o  188.462   12.634   78.046   9.8872   97.740   19.931   71.619   11.387  202.589   21.051  174.335   13.976 28.25464 25.26820 
1 1 1    4   20    5 o   41.294   14.101   3.6927   3.2669   0.0000   0.0000   3.6927   3.2669  ?   ?    41.294   14.101      ?      ? 
1 1 1    4   20    6 o  370.633   20.261  302.373   31.498  406.055   63.084  267.941   36.353  406.752   33.185  334.515   23.253 72.23679 40.52130 
1 1 1    4   20    7 o  175.317   13.670   73.937   9.6060   71.336   19.246   74.799   11.086  172.453   23.879  178.181   13.312 -5.728226 27.33914 
1 1 1    4   20    8 f  223.201   14.473  111.866   13.373  133.810   26.833  104.614   15.425  236.031   24.325  210.371   15.689 25.66034 28.94577 
1 1 1    4   20    9 o  218.208   19.926  133.033   15.497   88.741   30.878  147.946   17.917  186.195   36.790  250.221   15.322 -64.02638 39.85257 
1 1 1    4   20   10 o  384.723   27.076  367.245   45.935  380.008   79.540  360.858   56.267  385.500   44.149  383.947   31.357 1.552856 54.15160 
1 1 1    4   20   11 o  322.891   20.633  251.080   27.016  259.209   53.910  248.354   31.218  323.138   35.698  322.644   20.704 0.4939575 41.26697 
1 1 1    4   20   12 o  305.263   15.528  218.891   21.845  247.025   34.536  200.128   28.204  320.964   23.023  289.562   20.841 31.40222 31.05548 
1 1 1    4   20   13 o  265.480   13.730  164.457   16.801  187.936   26.572  148.818   21.686  280.737   20.253  250.223   18.544 30.51443 27.46036 
1 1 1    4   20   14 o  412.605   29.048  429.790   52.696  437.543   91.240  425.909   64.550  409.771   47.643  415.439   33.247 -5.667572 58.09632 
1 1 1    4   20   15 o  326.910   17.770  267.151   25.912  219.267   40.940  299.153   33.468  299.757   29.224  354.064   20.226 -54.30679 35.54048 
1 1 1    4   20   16 o  285.537   16.504  196.960   21.842  225.610   30.928  168.455   30.851  306.942   21.561  264.132   24.992 42.80966 33.00701 
1 1 1    4   20   17 o  169.360   17.125   79.193   11.333   94.746   13.943   48.907   19.457  200.132   14.907  138.588   30.835 61.54338 34.24985 
1 1 1    4   20   18 o  304.471   17.505  225.175   24.742  254.518   35.032  195.970   34.950  325.031   23.062  283.911   26.340 41.12054 35.00946 
1 1 1    4   20   19 f  382.046   31.549  404.210   50.306  446.405   61.601  319.732   87.162  424.580   31.044  339.512   54.933 85.06818 63.09795 
1 1 1    4   20   20 o   86.964   13.151   16.461   4.8887   12.466   5.8051   26.204   9.0658   70.934   17.596  102.994   19.549 -32.05999 26.30206 
1 1 1    4   20   21 o  142.314   14.953   48.097   9.9453   48.097   9.9453   0.0000   0.0000  142.314   14.953  ?   ?       ?      ? 
1 1 1    4   20   22 o  130.133   15.070   44.644   7.9614   49.623   9.6669   34.149   14.036  144.591   14.306  115.675   26.528 28.91589 30.13953 
1 1 1    4   20   23 o  374.620   33.563  385.780   58.740  374.960   83.012  396.631   83.131  368.479   48.204  380.762   46.716 -12.28320 67.12682 
1 1 1    4   20   24 o   64.012   14.979   9.5723   5.4602   12.912   6.9386   4.1401   8.8488   72.081   19.930   55.942   22.367 16.13855 29.95797 
1 1 1    4   20   25 o  256.856   21.170  167.262   24.662  122.287   34.450  214.540   35.321  218.656   33.712  295.056   25.615 -76.39975 42.33913 
1 1 1    4   20   26 o  147.324   15.564   51.798   10.716   0.0000   0.0000   51.798   10.716  ?   ?   147.324   15.564      ?      ? 
1 1 1    4   20   27 o  228.195   20.204  126.242   21.547   0.0000   0.0000  126.242   21.547  ?   ?   228.195   20.204      ?      ? 
1 1 1    4   20   28 o  317.668   24.968  250.066   37.069   0.0000   0.0000  250.066   37.069  ?   ?   317.668   24.968      ?      ? 
1 1 1    4   20   29 o  120.521   23.178   36.885   12.581   0.0000   0.0000   36.885   12.581  ?   ?   120.521   23.178      ?      ? 
1 1 1    4   20   30 o  129.174   16.338   42.386   9.5005   32.604   13.352   52.419   13.521  111.831   26.034  146.517   19.746 -34.68642 32.67541 
1 1 1    4   20   31 o  100.629   13.938   24.558   6.0208   22.536   7.3316   28.746   10.551   95.191   17.109  106.066   22.007 -10.87500 27.87500 
1 1 1    4   20   32 o   93.401   16.739   22.516   7.3217   24.404   10.532   20.750   10.186   97.209   23.453   89.593   23.889 7.616089 33.47705 
1 1 1    4   20   33 o  154.700   16.562   59.526   11.968   57.572   16.926   61.481   16.926  151.996   23.828  157.403   23.009 -5.406616 33.12329 
1 1 1    4   20   34 o  243.225   20.057  156.114   21.011  140.151   36.274  164.173   25.775  228.770   33.928  257.680   21.403 -28.91025 40.11452 
1 1 1    4   20   35 o   77.746   14.914   14.573   5.4732   20.303   8.9985   11.208   6.8954   88.611   21.863   66.881   20.290 21.73029 29.82766 
1 1 1    4   20   36 o   73.359   13.337   13.728   4.5984   13.148   6.4144   14.342   6.5957   71.788   18.870   74.931   18.851 -3.142357 26.67310 
1 1 1    4   20   37 o  272.376   16.365  187.513   20.755  169.993   29.312  205.128   29.391  258.604   24.253  286.148   21.978 -27.54349 32.72961 
1 1 1    4   20   38 o  303.747   18.007  238.023   25.102  190.098   35.420  286.380   35.580  269.898   28.081  337.596   22.551 -67.69824 36.01472 
1 1 1    4   20   39 o   88.956   12.536   19.690   5.1107   16.398   7.1083   23.212   7.3532   80.099   19.232   97.812   16.086 -17.71261 25.07202 
1 1 1    4   20   40 o  112.993   17.651   33.277   9.1107   26.163   12.396   41.634   13.436   99.121   26.318  126.865   23.528 -27.74315 35.30122 
1 1 1    4   20   41 o  156.150   15.785   64.002   10.384   56.974   17.674   67.706   12.832  145.874   26.917  166.426   16.498 -20.55190 31.57059 
1 1 1    4   20   42 o   78.291   13.708   15.556   5.0723   11.139   6.8607   20.882   7.5331   66.196   20.271   90.386   18.457 -24.18954 27.41525 
1 1 1    4   20   43 o  200.720   21.375  117.932   16.954  133.561   20.687   85.961   29.586  231.915   19.086  169.524   38.252 62.39119 42.74962 
1 1 1    4   20   44 o  107.191   15.723   29.487   7.1174   28.896   8.4533   30.928   13.192  108.314   16.699  106.068   26.646 2.245743 31.44656 
1 1 1    4   20   45 o  113.216   16.503   37.480   7.8537   42.875   9.4103   25.098   14.257  132.281   15.222   94.152   29.287 38.12920 33.00661 
1 1 1    4   20   46 o   43.674   12.993   1.3647   4.4659   0.9559   5.9029   1.9119   6.8295   41.557   17.592   45.791   19.125 -4.233643 25.98569 
1 1 1    4   20   47 o   65.933   16.853   10.430   6.5994   9.3062   8.6594   11.987   10.193   62.686   22.814   69.180   24.811 -6.493824 33.70555 
1 1 1    4   20   48 o   99.284   15.856   24.874   6.7994   21.262   8.1841   32.923   12.217   89.494   20.063  109.074   24.558 -19.58049 31.71135 
1 1 1    4   20   50 o  142.748   28.421   59.408   18.294   0.0000   0.0000   59.408   18.294  ?   ?   142.748   28.421      ?      ? 
1 1 1    4   20   52 o   75.226   26.428   16.284   11.511   16.284   11.511   0.0000   0.0000   75.226   26.428  ?   ?       ?      ? 
1 1 1    4   20   53 o   51.154   14.981   2.2279   5.9778  -2.4934   7.7334   9.2369   9.4226   40.944   18.591   61.364   23.498 -20.41927 29.96272 
1 1 1    4   20   54 o   94.908   17.143   26.458   7.2793   29.850   12.839   24.851   8.8368   96.317   27.283   93.500   20.764 2.817917 34.28508 
1 1 1    4   20   55 o   62.908   15.279   11.261   5.7879   5.7342   8.8795   15.344   7.6321   53.390   22.010   72.425   21.197 -19.03442 30.55718 
1 1 1    4   20   56 o   48.256   14.108   4.0649   5.1769   3.5646   7.6544   4.4867   7.0281   48.028   20.166   48.484   19.736 -0.4565086 28.21690 
1 1 1    4   20   57 o   97.658   14.685   29.682   6.7937   17.179   9.7651   41.411   9.4576   71.753   24.379  123.563   16.378 -51.81030 29.36960 
1 1 1    4   20   58 o   60.187   14.862   11.145   5.5126   5.8779   8.2892   15.322   7.3814   50.541   21.086   69.832   20.950 -19.29041 29.72406 
1 1 1    4   20   59 o   41.392   12.580   1.9943   4.3230   0.2972   5.5912   4.5169   6.8168   36.767   16.316   46.017   19.154 -9.249699 25.16092 
1 1 1    4   20   60 o   55.934   15.007   9.6145   5.3802   11.593   8.1177   8.0645   7.1848   59.373   22.009   52.495   20.407 6.877834 30.01395 
1 1 1    4   20   61 f   49.178   13.996   6.6919   5.1868   2.4387   7.6237   10.357   7.0772   42.660   18.985   55.697   20.569 -13.03725 27.99188 
1 1 1    4   21    0 o  264.398   15.708  168.726   27.004  168.726   27.004  168.726   27.004  264.398   22.214  264.398   22.214 -0.000000 0.000000 
1 1 1    4   21    1 o  286.347   16.577  197.018   22.148  209.962   31.345  184.112   31.298  295.999   22.659  276.694   24.203 19.30435 33.15437 
1 1 1    4   21    2 o  218.335   15.170  107.432   14.868   92.134   18.196  138.156   25.788  196.655   19.798  240.014   22.990 -43.35881 30.33982 
1 1 1    4   21    3 o  211.122   14.825  102.015   14.015   92.061   17.164  121.928   24.277  196.784   18.663  225.459   23.040 -28.67465 29.65098 
1 1 1    4   21    4 o  101.228   9.8598   24.161   4.6563   22.235   6.4924   26.201   6.6816   97.050   14.314  105.406   13.564 -8.355141 19.71970 
1 1 1    4   21    5 o  567.198   46.909  835.108  124.347   0.0000   0.0000  835.108  124.347  ?   ?   567.198   46.909      ?      ? 
1 1 1    4   21    6 o  345.995   25.406  305.772   37.935  274.889   65.682  321.230   46.470  328.049   42.842  363.940   27.321 -35.89172 50.81197 
1 1 1    4   21    7 o   61.136   12.941   9.2220   3.9565   6.6458   6.8500   10.512   4.8468   56.909   20.347   65.362   15.997 -8.452320 25.88197 
1 1 1    4   21    8 o  204.057   15.038   96.347   13.705  110.557   23.725   89.230   16.790  214.422   23.675  193.692   18.547 20.72945 30.07508 
1 1 1    4   21    9 o  378.000   30.207  349.921   53.362   0.0000   0.0000  349.921   53.362  ?   ?   378.000   30.207      ?      ? 
1 1 1    4   21   10 o  274.876   33.029  186.870   42.430   0.0000   0.0000  186.870   42.430  ?   ?   274.876   33.029      ?      ? 
1 1 1    4   21   11 f  419.684   30.494  468.976   54.643  405.726   94.572  500.673   66.948  388.807   52.046  450.562   31.794 -61.75519 60.98882 
1 1 1    4   21   12 o  384.746   21.586  366.350   38.364  305.069   54.207  427.849   54.303  350.622   33.081  418.869   27.740 -68.24756 43.17209 
1 1 1    4   21   13 o  232.148   13.947  128.814   15.131  128.375   21.348  129.256   21.451  231.755   19.710  232.541   19.738 -0.7864227 27.89375 
1 1 1    4   21   14 o   96.630   10.164   22.110   4.5842   23.424   6.4952   20.806   6.4710   99.526   13.964   93.734   14.772 5.792725 20.32722 
1 1 1    4   21   15 o  201.814   12.540   97.152   11.821   93.738   16.728  100.558   16.708  198.197   18.059  205.432   17.403 -7.235794 25.07975 
1 1 1    4   21   16 f  454.306   31.380  534.767   63.220  592.383  109.537  505.987   77.416  464.172   50.494  444.440   37.271 19.73157 62.75964 
1 1 1    4   21   17 f  162.459   16.014   64.011   12.158   64.949   17.176   63.069   17.211  163.704   22.450  161.214   22.843 2.489182 32.02852 
1 1 1    4   21   18 o  262.193   22.809  173.509   27.949  174.489   39.570  172.534   39.483  262.967   32.197  261.418   32.317 1.548553 45.61836 
1 1 1    4   21   19 o  228.449   20.636  131.317   21.600  103.153   30.507  159.628   30.586  202.020   32.311  254.878   25.677 -52.85767 41.27177 
1 1 1    4   21   20 o  127.479   14.553   39.243   8.6698   39.065   12.204   39.425   12.319  127.197   20.529  127.761   20.631 -0.5634842 29.10513 
1 1 1    4   21   21 o  190.329   25.034   88.954   22.268   88.954   22.268   0.0000   0.0000  190.329   25.034  ?   ?       ?      ? 
1 1 1    4   21   22 o  401.313   53.374  467.566  100.106   0.0000   0.0000  467.566  100.106  ?   ?   401.313   53.374      ?      ? 
1 1 1    4   21   23 o  140.612   22.169   48.221   14.568   0.0000   0.0000   48.221   14.568  ?   ?   140.612   22.169      ?      ? 
1 1 1    4   21   24 o  248.842   20.896  150.537   24.301   0.0000   0.0000  150.537   24.301  ?   ?   248.842   20.896      ?      ? 
1 1 1    4   21   25 o  184.363   25.158   84.309   21.677   0.0000   0.0000   84.309   21.677  ?   ?   184.363   25.158      ?      ? 
1 1 1    4   21   26 o  377.080   36.946  427.605   64.828  391.772   91.665  463.463   91.696  356.758   54.978  397.402   49.372 -40.64368 73.89265 
1 1 1    4   21   27 o  154.427   13.474   56.663   9.2499   53.749   11.323   62.507   16.037  149.446   16.212  159.407   21.527 -9.961182 26.94874 
1 1 1    4   21   28 o  194.469   16.634   96.841   13.963  101.892   17.117   86.797   24.137  204.855   17.879  184.083   28.056 20.77274 33.26856 
1 1 1    4   21   29 o  217.411   16.884  118.560   16.106  119.367   19.760  116.964   27.799  221.079   19.125  213.744   27.829 7.334885 33.76713 
1 1 1    4   21   30 o  183.969   18.402   85.620   15.738   76.699   22.359   94.380   22.156  173.622   27.556  194.317   24.397 -20.69556 36.80416 
1 1 1    4   21   31 o  134.347   13.924   41.086   8.1963   62.141   13.948   29.980   10.130  159.751   18.682  108.943   20.652 50.80812 27.84756 
1 1 1    4   21   32 o   51.235   20.628   3.4826   7.5842   0.0000   0.0000   3.4826   7.5842  ?   ?    51.235   20.628      ?      ? 
1 1 1    4   21   33 o   41.313   11.990   1.6389   3.7123   2.1502   5.1895   1.1031   5.3127   42.180   17.035   40.447   16.878 1.732468 23.98080 
1 1 1    4   21   34 o   54.157   12.563   6.3009   4.1275   11.195   5.6093   0.5225   6.0953   66.463   17.731   41.851   17.804 24.61212 25.12674 
1 1 1    4   21   35 o  145.983   11.476   51.693   7.8119   47.135   10.872   56.559   11.232  139.169   16.715  152.797   15.729 -13.62756 22.95243 
1 1 1    4   21   36 o  139.912   15.075   49.779   9.0711   47.896   15.300   50.801   11.264  135.334   25.114  144.491   16.681 -9.156921 30.14948 
1 1 1    4   21   37 o   57.055   13.630   7.5879   4.3055   6.9617   5.8462   8.3301   6.3645   54.995   18.862   59.115   19.681 -4.120457 27.26040 
1 1 1    4   21   38 o   95.541   15.027   23.481   6.2851   23.333   10.726   23.558   7.7562   94.225   24.223   96.857   17.790 -2.631256 30.05410 
1 1 1    4   21   39 o  143.932   11.682   50.674   7.8298   45.416   10.965   56.145   11.184  136.022   17.248  151.842   15.761 -15.81982 23.36475 
1 1 1    4   21   40 o  204.653   13.848  104.626   13.242  101.731   18.644  107.574   18.811  201.661   19.782  207.645   19.384 -5.983475 27.69608 
1 1 1    4   21   41 o  151.110   17.905   60.130   12.251   52.823   17.508   67.140   17.148  139.663   27.801  162.557   22.572 -22.89386 35.81060 
1 1 1    4   21   42 o  151.855   12.050   56.927   8.5055   49.848   11.902   64.314   12.159  141.752   17.966  161.958   16.064 -20.20561 24.10048 
1 1 1    4   21   43 o   48.778   14.100   1.6598   5.1972   6.9453   8.1220  -2.0052   6.7632   57.783   21.890   39.773   17.778 18.00981 28.19979 
1 1 1    4   21   44 o   70.881   15.925   13.163   5.8740   12.407   9.3892   13.649   7.5294   69.753   23.904   72.008   21.048 -2.255287 31.85001 
1 1 1    4   21   45 o   76.512   12.520   7.5090   5.4083  -3.2431   6.4122   34.010   10.067   36.899   16.821  116.126   18.549 -79.22620 25.04043 
1 1 1    4   21   46 o  109.492   15.978   31.804   7.4466   31.485   8.9231   32.536   13.516  112.137   17.026  106.848   27.043 5.289352 31.95668 
1 1 1    4   21   47 o  121.509   16.307   40.747   8.2426   42.395   9.9043   37.033   14.867  130.277   16.267  112.742   28.268 17.53518 32.61430 
1 1 1    4   21   48 o   92.073   26.736   24.526   12.185   0.0000   0.0000   24.526   12.185  ?   ?    92.073   26.736      ?      ? 
1 1 1    4   21   49 o   49.100   21.962  -1.1602   10.341   0.0000   0.0000  -1.1602   10.341  ?   ?    49.100   21.962      ?      ? 
1 1 1    4   21   50 o   99.541   26.758   29.821   12.716   0.0000   0.0000   29.821   12.716  ?   ?    99.541   26.758      ?      ? 
1 1 1    4   21   51 o   46.487   14.298   0.2576   5.1746  -1.3870   6.0478   4.7512   9.9969   37.610   16.811   55.364   23.132 -17.75432 28.59578 
1 1 1    4   21   52 o  131.583   17.924   54.013   9.9645   60.649   12.295   41.311   17.010  152.539   17.247  110.626   31.426 41.91385 35.84711 
1 1 1    4   21   53 o   64.982   14.189   11.621   5.2553   4.7301   7.4487   18.451   7.4158   49.603   20.269   80.361   19.860 -30.75801 28.37713 
1 1 1    4   21   54 o  117.529   17.748   36.787   9.7483   36.787   9.7483   0.0000   0.0000  117.529   17.748  ?   ?       ?      ? 
1 1 1    4   21   55 o   70.274   17.231   13.508   6.5294   23.731   11.938   9.1457   7.7993   83.116   26.919   57.431   21.517 25.68543 34.46149 
1 1 1    4   21   56 o  126.965   17.045   47.331   9.1851   66.130   16.716   39.201   10.993  140.327   26.460  113.602   21.493 26.72453 34.08938 
1 1 1    4   21   57 o   41.708   12.881   1.5136   4.7832   3.7208   6.9311  -0.4934   6.6092   45.091   19.074   38.326   17.315 6.765697 25.76109 
1 1 1    4   21   58 o   58.141   14.927   10.066   5.3129   14.675   8.1003   6.5863   7.0383   66.355   22.206   49.928   19.953 16.42713 29.85332 
1 1 1    4   21   59 o   62.557   15.012   12.639   5.3751   17.757   8.0649   8.5489   7.2099   72.179   21.953   52.936   20.480 19.24239 30.02301 
1 1 1    4   21   60 o   45.750   14.041   2.7769   5.2515   10.733   9.3494  -0.8904   6.3475   55.448   22.689   36.052   16.548 19.39594 28.08251 
1 1 1    4   22    0 o  380.544   21.368  353.566   52.963  353.566   52.963  353.566   52.963  380.544   30.218  380.544   30.218 -0.000000 0.000000 
1 1 1    4   22    1 o  341.234   22.786  286.992   31.326  291.768   62.636  285.399   36.175  338.071   39.643  344.397   22.475 -6.326752 45.57129 
1 1 1    4   22    2 o  160.501   11.367   67.252   7.6904   40.646   12.051   85.533   9.9889  130.389   19.775  190.613   11.213 -60.22453 22.73324 
1 1 1    4   22    3 o   87.092   9.0823   17.844   3.6383   18.208   5.6968   17.593   4.7282   87.769   13.888   86.416   11.707 1.352814 18.16451 
1 1 1    4   22    4 o  218.618   12.279  116.414   12.116  101.600   19.077  126.430   15.687  206.095   19.806  231.141   14.521 -25.04614 24.55891 
1 1 1    4   22    5 o  187.387   13.490   81.197   10.415   89.671   20.686   78.320   12.055  192.812   22.956  181.961   14.175 10.85139 26.98033 
1 1 1    4   22    6 o   58.910   11.014   9.3137   3.3216   2.3164   6.2197   12.106   3.9287   46.152   18.646   71.668   11.729 -25.51615 22.02851 
1 1 1    4   22    7 o  464.502   32.147  570.215   59.336  567.385  118.677  571.158   68.515  448.774   56.584  480.231   30.528 -31.45636 64.29382 
1 1 1    4   22    8 o  240.460   14.493  125.248   14.644  171.438   29.344  109.930   16.899  266.020   23.603  214.900   16.826 51.12036 28.98625 
1 1 1    4   22    9 o   90.586   12.063   21.174   4.3745   17.273   8.3450   22.652   5.1369   83.135   21.363   98.036   11.212 -14.90100 24.12626 
1 1 1    4   22   10 o  223.895   18.793  120.072   19.664   0.0000   0.0000  120.072   19.664  ?   ?   223.895   18.793      ?      ? 
1 1 1    4   22   11 o   84.260   16.698   17.495   6.3430   0.0000   0.0000   17.495   6.3430  ?   ?    84.260   16.698      ?      ? 
1 1 1    4   22   12 o  139.586   13.358   47.544   8.1970   44.324   13.947   49.243   10.131  135.242   22.066  143.930   15.062 -8.687332 26.71671 
1 1 1    4   22   13 o  154.537   15.565   56.856   11.242   0.0000   0.0000   56.856   11.242  ?   ?   154.537   15.565      ?      ? 
1 1 1    4   22   14 o  189.013   15.449   88.184   12.746   81.792   21.920   91.449   15.667  182.434   25.709  195.592   17.139 -13.15771 30.89848 
1 1 1    4   22   15 o  269.619   26.280  206.030   27.678   81.393   38.944  333.238   39.343  169.067   47.385  370.170   22.742 -201.1032 52.55962 
1 1 1    4   22   16 o  184.723   14.754   82.542   11.991   82.385   20.739   82.621   14.697  183.525   24.180  185.920   16.914 -2.394928 29.50834 
1 1 1    4   22   17 o  136.822   14.676   44.521   9.3845   0.0000   0.0000   44.521   9.3845  ?   ?   136.822   14.676      ?      ? 
1 1 1    4   22   18 o  198.295   25.768   97.125   23.880   0.0000   0.0000   97.125   23.880  ?   ?   198.295   25.768      ?      ? 
1 1 1    4   22   19 o  161.808   22.665   63.977   17.140   0.0000   0.0000   63.977   17.140  ?   ?   161.808   22.665      ?      ? 
1 1 1    4   22   20 o  173.439   13.346   68.956   10.338   85.137   18.091   61.109   12.597  187.240   20.673  159.639   16.885 27.60057 26.69224 
1 1 1    4   22   21 o  269.684   25.394  194.643   29.973  249.243   42.473  140.477   42.304  314.289   28.916  225.080   41.754 89.20895 50.78892 
1 1 1    4   22   22 o   55.461   13.998   6.4469   4.6189   7.9845   6.5630   4.9380   6.5016   59.023   19.987   51.899   19.603 7.123909 27.99561 
1 1 1    4   22   23 o  180.827   24.634   81.422   20.818   81.422   20.818   0.0000   0.0000  180.827   24.634  ?   ?       ?      ? 
1 1 1    4   22   24 f  221.326   20.271  126.390   20.493   97.512   28.815  155.943   29.150  193.198   31.914  249.455   25.004 -56.25716 40.54247 
1 1 1    4   22   25 o  188.350   15.892   90.026   12.963   94.020   15.890   82.077   22.416  197.005   17.258  179.695   26.692 17.31064 31.78498 
1 1 1    4   22   26 o   95.816   15.045   22.051   6.7370   22.051   6.7370   0.0000   0.0000   95.816   15.045  ?   ?       ?      ? 
1 1 1    4   22   27 o  135.943   16.350   46.455   10.163   48.808   14.417   44.130   14.329  140.614   21.938  131.273   24.249 9.341385 32.69987 
1 1 1    4   22   28 o  161.566   16.862   65.132   12.727   67.286   18.022   62.990   17.975  164.396   23.457  158.736   24.229 5.660080 33.72371 
1 1 1    4   22   29 o   96.215   14.403   22.852   6.0194   25.940   10.354   21.275   7.3982  100.302   22.626   92.129   17.827 8.172997 28.80515 
1 1 1    4   22   30 o  139.205   13.281   45.010   8.3506   57.998   14.228   38.185   10.314  153.312   19.857  125.099   17.641 28.21281 26.56173 
1 1 1    4   22   31 o   56.716   13.372   7.6255   4.1936   8.8988   5.7010   6.1243   6.1905   59.975   18.498   53.457   19.315 6.517975 26.74380 
1 1 1    4   22   32 o  171.889   13.810   67.406   10.635   53.612   12.989   95.467   18.526  147.585   18.832  196.192   20.205 -48.60730 27.62021 
1 1 1    4   22   33 o   63.217   13.480   9.9799   4.4614   12.916   6.0828   6.5615   6.5634   71.286   18.196   55.148   19.894 16.13773 26.96086 
1 1 1    4   22   34 o  115.367   11.709   32.555   6.2712   35.737   8.7223   29.151   9.0230  121.553   15.354  109.180   17.683 12.37302 23.41890 
1 1 1    4   22   35 o   72.170   13.790   13.287   4.7556   13.428   6.5027   13.126   6.9727   72.593   18.960   71.747   20.030 0.8455887 27.58033 
1 1 1    4   22   36 o  226.225   17.411  126.426   17.538  117.655   21.466  144.035   30.414  217.257   21.141  235.193   27.670 -17.93683 34.82232 
1 1 1    4   22   37 o   62.893   15.176   9.6572   5.4229   6.0708   9.0220   11.686   6.7855   58.163   22.796   67.622   20.041 -9.459606 30.35289 
1 1 1    4   22   38 o   68.466   13.858   12.037   4.6841   13.414   6.5509   10.597   6.7002   72.156   19.120   64.777   20.066 7.379120 27.71616 
1 1 1    4   22   39 o   72.391   13.782   13.406   4.8628   9.8809   6.7910   17.115   6.9666   63.093   20.289   81.689   18.657 -18.59598 27.56305 
1 1 1    4   22   40 o  113.369   14.616   31.902   7.2818   36.839   12.362   29.278   9.0111  118.038   23.236  108.700   17.738 9.338097 29.23278 
1 1 1    4   22   41 o   36.765   11.595  -2.3061   4.1568   0.5378   5.7495  -5.4208   6.0170   40.444   17.250   33.086   15.499 7.358768 23.19059 
1 1 1    4   22   42 o   75.449   15.756   14.016   5.7743   19.961   9.7999   10.855   7.1466   85.791   23.671   65.107   20.800 20.68371 31.51107 
1 1 1    4   22   43 o  150.064   12.081   56.150   8.4708   57.499   11.985   54.803   11.974  151.982   16.873  148.145   17.295 3.836411 24.16231 
1 1 1    4   22   44 o   78.864   15.804   17.311   6.1712   13.143   9.9801   19.891   7.8523   71.022   24.628   86.707   19.811 -15.68520 31.60723 
1 1 1    4   22   45 o   49.948   13.947  -1.3282   4.9309  -6.8097   5.8262   12.511   9.2572   30.751   14.655   69.144   23.734 -38.39296 27.89416 
1 1 1    4   22   46 o   65.818   17.193   10.620   7.0769   12.798   9.5451   7.9609   10.546   69.632   24.089   62.004   24.537 7.628494 34.38508 
1 1 1    4   22   47 o   58.082   23.616   6.1482   10.047   0.0000   0.0000   6.1482   10.047  ?   ?    58.082   23.616      ?      ? 
1 1 1    4   22   48 o   69.200   25.535   12.998   10.902   0.0000   0.0000   12.998   10.902  ?   ?    69.200   25.535      ?      ? 
1 1 1    4   22   49 o   49.389   21.873   0.0008   9.9985   0.0000   0.0000   0.0008   9.9985  ?   ?    49.389   21.873      ?      ? 
1 1 1    4   22   50 o  100.228   16.565   27.064   7.2395   23.090   8.7559   35.653   12.871   90.911   21.027  109.544   25.601 -18.63258 33.12942 
1 1 1    4   22   51 o   59.809   14.529   9.6288   5.1031   5.8918   7.2712   13.256   7.1637   51.672   20.398   67.945   20.696 -16.27331 29.05837 
1 1 1    4   22   52 o   89.378   14.576   22.911   5.9645   23.115   8.3655   22.701   8.5065   89.998   20.365   88.759   20.859 1.238853 29.15198 
1 1 1    4   22   53 o   65.809   14.074   6.9165   5.6229  -3.0052   6.9128   26.317   9.6665   37.344   17.188   94.273   22.291 -56.92949 28.14786 
1 1 1    4   22   54 o   60.112   15.385   11.072   5.8526   13.857   7.1947   5.6253   10.063   67.354   20.781   52.869   22.692 14.48438 30.77000 
1 1 1    4   22   55 o   47.240   13.316   4.2272   4.7141  -0.4501   6.5455   9.2679   6.7951   38.444   17.312   56.035   20.238 -17.59101 26.63246 
1 1 1    4   22   56 o   70.317   15.868   14.038   6.0019   7.3534   7.3661   27.242   10.353   51.660   20.487   88.973   24.239 -37.31274 31.73663 
1 1 1    4   22   57 o   51.697   14.240   7.6077   4.9633   8.1537   6.8515   7.0048   7.1999   52.741   20.075   50.652   20.201 2.089321 28.47971 
1 1 1    4   22   58 o   87.528   19.639   34.424   9.8671   23.746   14.545   43.529   13.430   69.806   28.401  105.250   27.132 -35.44415 39.27795 
1 1 1    4   23    0 o   54.939   17.626   10.433   6.9129   10.433   6.9129   10.433   6.9129   54.939   24.926   54.939   24.926 -0.000000 0.000000 
1 1 1    4   23    1 o  338.829   29.759  305.322   47.119  301.317   66.651  309.323   66.623  336.292   42.408  341.367   41.760 -5.075409 59.51748 
1 1 1    4   23    2 o  347.747   26.055  314.174   39.516  305.954   68.412  318.289   48.407  337.949   43.315  357.544   28.969 -19.59512 52.10964 
1 1 1    4   23    3 o  376.744   28.548  375.525   46.835  380.056   57.355  366.456   81.137  388.425   31.595  365.063   47.556 23.36237 57.09509 
1 1 1    4   23    4 o  127.599   11.921   37.440   6.7565   34.503   8.2183   43.567   11.868  120.513   14.592  134.684   18.855 -14.17070 23.84150 
1 1 1    4   23    5 o  227.660   17.331  127.207   17.337  125.456   29.920  128.092   21.273  224.680   28.494  230.641   19.735 -5.960632 34.66117 
1 1 1    4   23    6 o   97.479   11.888   21.401   5.1222   32.258   8.5644   15.355   6.3912  116.367   15.748   78.591   17.812 37.77630 23.77563 
1 1 1    4   23    7 o  186.077   16.706   82.688   14.528   0.0000   0.0000   82.688   14.528  ?   ?   186.077   16.706      ?      ? 
1 1 1    4   23    8 o  147.103   15.092   51.478   10.375   0.0000   0.0000   51.478   10.375  ?   ?   147.103   15.092      ?      ? 
1 1 1    4   23    9 o  174.862   16.266   72.963   13.293   0.0000   0.0000   72.963   13.293  ?   ?   174.862   16.266      ?      ? 
1 1 1    4   23   10 o  233.624   29.149  136.361   31.826   0.0000   0.0000  136.361   31.826  ?   ?   233.624   29.149      ?      ? 
1 1 1    4   23   11 f  338.847   27.654  285.390   43.794   0.0000   0.0000  285.390   43.794  ?   ?   338.847   27.654      ?      ? 
1 1 1    4   23   12 o  127.073   11.941   38.193   7.0915   0.0000   0.0000   38.193   7.0915  ?   ?   127.073   11.941      ?      ? 
1 1 1    4   23   13 o   51.657   11.836   4.5666   3.0767   10.489   5.9916   2.4455   3.5855   65.192   18.696   38.121   14.520 27.07077 23.67165 
1 1 1    4   23   14 o  449.299   30.471  516.891   61.492  683.821  106.534  433.488   75.303  495.900   45.968  402.698   40.012 93.20157 60.94261 
1 1 1    4   23   15 o  155.133   13.736   58.062   9.3437   58.535   16.309   57.831   11.400  154.697   22.558  155.569   15.680 -0.8722534 27.47240 
1 1 1    4   23   16 o  424.425   30.219  472.489   57.325  571.099   99.371  423.306   70.179  449.060   47.349  399.790   37.561 49.26956 60.43819 
1 1 1    4   23   17 o  121.255   15.691   36.972   8.5613   37.392   12.293   36.576   11.931  121.861   22.410  120.649   21.968 1.211555 31.38177 
1 1 1    4   23   18 o  357.466   26.958  339.312   42.390  355.721   73.445  331.115   51.909  355.877   44.159  359.055   30.934 -3.178192 53.91642 
1 1 1    4   23   19 o  108.872   13.244   29.915   6.0779   31.224   7.4223   27.249   10.589  114.396   13.883  103.347   22.557 11.04886 26.48717 
1 1 1    4   23   20 o  291.084   20.471  208.838   26.626  189.787   32.605  246.978   46.133  274.917   25.377  307.251   32.128 -32.33441 40.94100 
1 1 1    4   23   21 o  175.407   17.188   77.104   14.087   75.607   19.962   78.589   19.883  173.563   24.610  177.251   24.002 -3.687775 34.37641 
1 1 1    4   23   22 o  154.563   13.680   58.040   9.3309   57.270   11.436   59.575   16.139  154.159   15.873  154.966   22.285 -0.8076172 27.35980 
1 1 1    4   23   23 o   33.786   11.008  -5.3068   4.0532  -8.4539   5.3708  -1.1428   6.1778   27.912   13.498   39.660   17.392 -11.74867 22.01577 
1 1 1    4   23   24 o  172.053   17.153   73.909   13.790   72.004   19.362   75.870   19.646  169.735   24.408  174.370   24.107 -4.635361 34.30592 
1 1 1    4   23   25 o  161.193   17.658   66.327   12.892   74.053   18.077   58.329   18.392  172.822   22.381  149.565   27.319 23.25668 35.31622 
1 1 1    4   23   26 o  105.051   13.846   27.476   6.2939   27.736   10.797   27.342   7.7460  103.626   22.904  106.476   15.566 -2.849815 27.69292 
1 1 1    4   23   27 o  248.488   25.105  171.783   27.949  202.386   39.515  141.146   39.537  276.380   30.593  220.596   39.814 55.78355 50.21051 
1 1 1    4   23   28 o  299.520   24.037  244.863   31.475  248.966   54.525  242.812   38.545  293.102   39.804  305.937   26.959 -12.83533 48.07456 
1 1 1    4   23   29 o  173.504   17.743   82.893   12.432   63.335   21.476   92.751   15.247  151.854   31.301  195.153   16.717 -43.29858 35.48544 
1 1 1    4   23   30 o  138.288   11.344   46.648   7.2255   37.486   10.123   56.162   10.316  123.887   17.485  152.689   14.457 -28.80146 22.68716 
1 1 1    4   23   31 o  134.589   11.728   44.526   7.2790   51.271   10.136   37.341   10.460  145.747   14.880  123.431   18.133 22.31579 23.45698 
1 1 1    4   23   32 o   97.857   12.172   23.764   5.4096   24.471   7.3322   22.919   8.0138  100.545   15.604   95.170   18.685 5.374603 24.34324 
1 1 1    4   23   33 o  185.603   15.668   83.923   13.035   94.604   22.256   78.347   16.081  192.854   24.694  178.351   19.293 14.50238 31.33661 
1 1 1    4   23   34 o  243.896   15.252  149.522   17.347  160.084   24.530  138.958   24.534  253.165   20.733  234.628   22.374 18.53683 30.50322 
1 1 1    4   23   35 o   62.409   13.905   9.7127   4.5049   9.3659   6.0114   10.157   6.8037   61.145   19.017   63.673   20.290 -2.527859 27.80905 
1 1 1    4   23   36 o  108.015   14.648   28.173   6.8246   23.903   8.3164   36.977   11.942   96.716   19.077  119.314   22.234 -22.59788 29.29629 
1 1 1    4   23   37 o  159.104   15.087   64.430   10.549   65.713   13.017   61.978   18.003  163.573   17.028  154.635   24.911 8.937988 30.17483 
1 1 1    4   23   38 o  154.463   12.290   59.048   8.8703   58.258   12.407   59.875   12.687  153.446   17.300  155.480   17.460 -2.034454 24.57965 
1 1 1    4   23   39 o   96.592   13.108   23.832   5.7787   25.569   7.9904   21.928   8.3672  101.633   16.823   91.552   20.106 10.08067 26.21530 
1 1 1    4   23   40 o  139.665   15.858   52.242   9.2558   54.550   11.315   47.574   16.090  148.514   16.303  130.817   27.205 17.69713 31.71543 
1 1 1    4   23   41 o  180.428   13.222   82.989   10.919  101.030   15.453   65.004   15.429  201.779   16.387  159.077   20.754 42.70180 26.44312 
1 1 1    4   23   42 o   60.229   14.871   8.8048   5.0947   9.5001   7.9049   8.3107   6.6632   62.161   21.896   58.297   20.129 3.863518 29.74235 
1 1 1    4   23   43 o   34.227   16.355  -8.6670   7.3574  -8.6670   7.3574   0.0000   0.0000   34.227   16.355  ?   ?       ?      ? 
1 1 1    4   23   44 o  128.052   18.398   47.466   10.955   26.009   15.430   69.278   15.557   92.837   30.632  163.267   20.389 -70.43044 36.79695 
1 1 1    4   23   47 o   52.542   14.572  -0.6290   6.0384 -10.4021   7.7721   14.253   9.5909   33.740   16.298   71.345   24.161 -37.60527 29.14412 
1 1 1    4   23   48 o   52.122   14.622   1.3745   5.1192  -3.0786   5.9956   13.355   9.8343   35.091   16.098   69.154   24.416 -34.06286 29.24490 
1 1 1    4   23   49 o   45.526   19.071   2.7791   6.8194   0.0000   0.0000   2.7791   6.8194  ?   ?    45.526   19.071      ?      ? 
1 1 1    4   23   50 o   50.670   15.527   2.9566   6.8473   0.4749   10.114   5.0569   9.3040   48.469   21.697   52.871   22.218 -4.401524 31.05473 
1 1 1    4   23   51 o   84.886   16.877   22.329   6.7580   20.334   12.509   23.152   8.0307   78.864   27.560   90.909   19.487 -12.04522 33.75379 
1 1 1    4   23   52 o   36.736   11.895  -2.3060   4.6101  -3.8274   6.3717  -0.6345   6.6786   34.395   16.060   39.076   17.552 -4.680943 23.79061 
1 1 1    4   23   53 o   41.265   12.782   1.2902   4.7074   0.9085   6.6267   1.6790   6.6884   40.634   17.910   41.896   18.241 -1.261993 25.56402 
1 1 1    4   23   54 o   81.381   14.776   20.878   5.6824   18.500   8.0892   23.194   7.9841   75.606   21.735   87.156   20.022 -11.54986 29.55178 
1 1 1    4   23   55 o   64.464   13.800   12.397   5.1917   4.2563   7.2681   20.879   7.4186   46.170   19.532   82.757   19.501 -36.58617 27.60038 
1 1 1    4   23   56 o   51.567   22.149   7.0106   9.5990   0.0000   0.0000   7.0106   9.5990  ?   ?    51.567   22.149      ?      ? 
1 1 1    4   23   57 o   48.469   15.242   3.4744   7.2795   11.929   10.495  -4.3631   10.105   56.958   23.742   39.980   19.122 16.97796 30.48479 
1 1 1    4   24    0 o   28.896   12.907   0.8760   5.2608   0.8760   5.2608   0.8760   5.2608   28.896   18.253   28.896   18.253 -0.000000 0.000000 
1 1 1    4   24    1 o  141.552   16.156   50.027   10.299   58.530   14.520   41.417   14.610  155.527   19.976  127.576   25.397 27.95068 32.31219 
1 1 1    4   24    2 o  264.012   23.282  178.675   28.712  172.681   40.608  184.668   40.603  259.152   33.528  268.871   32.312 -9.718414 46.56452 
1 1 1    4   24    3 o   76.251   12.786   12.299   4.3230   22.295   7.9411   8.0894   5.1536   94.699   18.606   57.803   17.542 36.89587 25.57200 
1 1 1    4   24    4 o  212.469   19.523  113.435   19.132   93.499   27.013  133.499   27.100  192.350   30.050  232.587   24.931 -40.23761 39.04513 
1 1 1    4   24    5 o  288.932   21.335  210.907   27.067  211.641   46.809  210.538   33.176  285.419   35.092  292.445   24.274 -7.026306 42.66924 
1 1 1    4   24    6 o  134.298   11.915   41.475   7.1545   49.330   12.427   37.580   8.7502  143.051   18.588  125.545   14.913 17.50607 23.83072 
1 1 1    4   24    7 f  275.088   19.542  182.208   24.037  214.452   41.601  166.049   29.450  290.589   30.632  259.587   24.275 31.00116 39.08483 
1 1 1    4   24    8 o  145.367   15.154   50.442   10.295   0.0000   0.0000   50.442   10.295  ?   ?   145.367   15.154      ?      ? 
1 1 1    4   24    9 o  156.777   15.024   58.673   11.008   0.0000   0.0000   58.673   11.008  ?   ?   156.777   15.024      ?      ? 
1 1 1    4   24   10 o   44.335   16.432   3.7288   4.5247   0.0000   0.0000   3.7288   4.5247  ?   ?    44.335   16.432      ?      ? 
1 1 1    4   24   11 o   62.070   12.721   8.2842   3.9583   14.544   6.5896   4.7505   4.9510   76.107   18.668   48.032   17.285 28.07507 25.44112 
1 1 1    4   24   12 o  105.848   12.377   25.459   5.7889   36.816   9.7846   19.343   7.1803  123.686   16.927   88.009   18.063 35.67772 24.75444 
1 1 1    4   24   13 o  132.737   21.206   43.174   13.155   0.0000   0.0000   43.174   13.155  ?   ?   132.737   21.206      ?      ? 
1 1 1    4   24   14 o   50.565   10.566   5.7186   3.3978   11.018   4.2723  -3.4038   5.6051   66.715   14.141   34.415   15.704 32.29937 21.13245 
1 1 1    4   24   15 o  100.797   12.644   25.156   5.5485   25.483   6.9247   24.569   9.2738  103.189   14.359   98.405   20.815 4.784492 25.28719 
1 1 1    4   24   16 o  125.259   13.230   39.034   7.0211   39.691   8.5792   37.700   12.218  128.739   14.259  121.779   22.288 6.960449 26.45918 
1 1 1    4   24   17 o  246.101   15.046  149.731   17.256  161.919   24.385  137.507   24.421  256.724   20.324  235.478   22.191 21.24547 30.09163 
1 1 1    4   24   18 o   62.729   11.807   9.8590   3.5724   7.7029   5.0995   11.937   5.0060   56.354   17.513   69.104   15.839 -12.75032 23.61351 
1 1 1    4   24   19 o   79.195   10.272   15.679   3.5706   13.731   5.7523   16.900   4.5543   74.008   16.990   84.383   11.548 -10.37448 20.54341 
1 1 1    4   24   20 o  140.749   16.489   50.351   10.428   40.961   14.832   59.530   14.664  125.537   26.130  155.961   20.119 -30.42338 32.97776 
1 1 1    4   24   21 o  238.871   17.935  143.176   18.846  142.032   23.094  145.456   32.605  240.430   20.553  237.312   29.398 3.118591 35.87015 
1 1 1    4   24   22 o  138.709   15.911   48.480   10.071   52.524   14.351   44.556   14.136  145.760   21.066  131.658   23.852 14.10272 31.82298 
1 1 1    4   24   23 o   88.736   22.219   20.387   9.1939   20.387   9.1939   0.0000   0.0000   88.736   22.219  ?   ?       ?      ? 
1 1 1    4   24   24 o  126.942   16.013   41.909   9.0258   57.547   12.931   27.053   12.604  153.253   18.054  100.631   26.452 52.62244 32.02582 
1 1 1    4   24   25 o  131.679   12.631   39.205   7.4657   57.913   12.750   29.443   9.2098  153.779   17.741  109.579   17.984 44.20036 25.26142 
1 1 1    4   24   26 o  157.116   13.350   57.862   9.3072   52.072   11.279   70.217   16.476  146.332   16.493  167.900   20.998 -21.56821 26.70038 
1 1 1    4   24   27 o  133.721   15.034   50.198   8.1420   30.698   13.359   61.722   10.270  107.129   26.761  160.313   13.707 -53.18388 30.06712 
1 1 1    4   24   28 o   98.989   14.389   24.903   6.1581   25.255   7.4991   24.175   10.791  102.102   15.716   95.876   24.107 6.225204 28.77751 
1 1 1    4   24   29 o  275.486   20.190  190.685   24.856  172.396   30.433  227.331   43.079  259.849   25.060  291.123   31.662 -31.27448 40.37986 
1 1 1    4   24   30 o  287.570   17.706  210.832   23.788  205.298   33.657  216.356   33.626  283.444   25.408  291.696   24.666 -8.252289 35.41145 
1 1 1    4   24   31 o   60.889   13.060   9.1264   4.2245   5.4354   6.1132   12.500   5.8447   51.672   19.110   70.105   17.805 -18.43352 26.11940 
1 1 1    4   24   32 o  211.915   20.493  128.082   17.440  141.811   21.345  100.516   30.247  238.626   19.140  185.205   36.243 53.42073 40.98616 
1 1 1    4   24   33 o   42.694   12.485   1.1258   4.0696  -0.8619   5.3371   3.8871   6.2903   36.876   16.169   48.511   19.028 -11.63498 24.97007 
1 1 1    4   24   34 o   51.014   13.083   4.1730   4.3596  -0.5012   5.9054   9.7720   6.4633   39.429   17.154   62.598   19.758 -23.16919 26.16536 
1 1 1    4   24   35 f  108.516   12.594   29.595   6.2194   31.029   8.5787   28.007   9.0296  112.452   16.323  104.580   19.182 7.872070 25.18702 
1 1 1    4   24   36 o  104.108   15.261   27.700   7.0097   32.375   11.506   24.941   8.8394  110.276   23.067   97.941   19.988 12.33457 30.52232 
1 1 1    4   24   37 o  151.635   12.036   57.022   8.5256   54.805   11.893   59.365   12.228  148.548   17.132  154.722   16.910 -6.173782 24.07160 
1 1 1    4   24   38 o   97.074   13.088   24.228   5.7594   17.787   8.0136   31.109   8.2832   81.843   20.883  112.304   15.782 -30.46140 26.17530 
1 1 1    4   24   39 o  113.467   14.975   31.857   7.3339   26.863   8.9478   42.077   12.801  101.406   19.589  125.529   22.654 -24.12310 29.94933 
1 1 1    4   24   40 o  108.987   12.698   30.223   6.3034   26.830   8.6944   33.982   9.1518  101.404   19.045  116.570   16.799 -15.16656 25.39540 
1 1 1    4   24   41 o   67.779   14.843   6.9616   5.4334   0.3388   6.3827   24.393   10.355   41.676   17.982   93.882   23.621 -52.20630 29.68646 
1 1 1    4   24   43 o   39.404   18.735  -9.2852   9.4080   0.0000   0.0000  -9.2852   9.4080  ?   ?    39.404   18.735      ?      ? 
1 1 1    4   24   44 o   40.936   18.668  -3.0280   7.9057   0.0000   0.0000  -3.0280   7.9057  ?   ?    40.936   18.668      ?      ? 
1 1 1    4   24   45 o   85.962   18.235   21.919   7.9601   19.464   11.513   24.167   11.018   81.092   26.445   90.832   25.114 -9.740173 36.47020 
1 1 1    4   24   46 o  142.624   19.414   60.776   12.632   68.372   17.829   53.120   17.900  155.330   24.561  129.918   30.074 25.41248 38.82898 
1 1 1    4   24   47 o   71.444   15.052   14.658   5.4025   14.823   7.5185   14.483   7.7680   71.957   21.032   70.932   21.539 1.025299 30.10488 
1 1 1    4   24   48 o   63.644   14.639   11.670   5.0874   13.797   6.9148   9.1607   7.5115   69.175   20.156   58.113   21.234 11.06105 29.27705 
1 1 1    4   24   49 o   45.526   13.904   1.7821   5.2130   1.3556   6.5060   2.5471   8.7129   42.321   18.208   48.731   21.018 -6.410332 27.80773 
1 1 1    4   24   50 o   46.550   13.833  -0.7603   5.2242  -6.6916   6.4051   11.027   9.0295   31.747   15.194   61.353   23.119 -29.60611 27.66528 
1 1 1    4   24   51 o   62.593   14.164   11.927   6.1390  -4.9395   10.735   20.122   7.4833   43.020   20.323   82.165   19.735 -39.14492 28.32889 
1 1 1    4   24   52 o   43.053   13.997  -0.9289   6.3843  -0.9506   8.3694  -0.8988   9.8734   41.669   19.080   44.436   20.485 -2.767246 27.99432 
1 1 1    4   24   53 o   54.685   15.862   7.7335   6.6505   2.8892   9.0132   13.523   9.8533   46.719   20.725   62.651   24.020 -15.93237 31.72483 
1 1 1    4   24   54 o   76.932   16.301   16.339   6.5201   36.707   11.855   7.5058   7.8070  102.153   25.028   51.711   20.891 50.44143 32.60106 
1 1 1    4   24   55 o   51.556   15.601   6.7820   6.8062   13.292   10.254   1.6551   9.0999   59.259   23.941   43.852   20.009 15.40725 31.20194 
1 1 1    4   25    0 o  430.485   25.581  472.885   71.601  472.885   71.601  472.885   71.601  430.485   36.177  430.485   36.177 -0.000000 0.000000 
1 1 1    4   25    1 o  134.999   10.293   43.603   6.4922   43.801   9.0955   43.398   9.2698  135.348   14.379  134.649   14.731 0.6995239 20.58526 
1 1 1    4   25    2 o  366.718   21.506  347.690   36.685  383.339   51.913  312.130   51.847  387.469   28.668  345.968   32.066 41.50098 43.01257 
1 1 1    4   25    3 o   95.875   9.0644   21.939   3.9475   21.625   6.3510   22.137   5.0392   95.101   14.289   96.649   11.156 -1.548409 18.12872 
1 1 1    4   25    4 o  184.725   10.808   81.548   9.1484   83.552   14.500   80.222   11.791  186.146   16.668  183.303   13.764 2.843231 21.61633 
1 1 1    4   25    5 o  153.725   15.168   61.588   9.6262   51.006   16.621   66.928   11.808  140.413   26.295  167.037   15.126 -26.62419 30.33544 
1 1 1    4   25    6 o  258.817   14.252  165.356   16.786  157.371   26.545  170.677   21.669  252.094   22.531  265.541   17.461 -13.44633 28.50476 
1 1 1    4   25    7 o   85.096   8.9489   16.636   3.4927   20.765   5.6316   14.055   4.4524   93.341   12.910   76.852   12.396 16.48872 17.89786 
1 1 1    4   25    8 f   66.236   10.241   10.698   3.0701   12.985   4.6819   8.9733   4.0663   72.448   14.335   60.024   14.629 12.42457 20.48191 
1 1 1    4   25    9 o  258.441   19.125  177.722   19.215  154.108   38.348  185.638   22.203  240.028   34.185  276.854   17.160 -36.82611 38.25059 
1 1 1    4   25   10 o  245.599   16.564  140.853   18.249  187.797   31.746  117.683   22.303  273.184   24.865  218.014   21.889 55.17009 33.12706 
1 1 1    4   25   11 o  194.018   14.373   90.206   13.033   0.0000   0.0000   90.206   13.033  ?   ?   194.018   14.373      ?      ? 
1 1 1    4   25   12 o  122.008   13.416   37.287   6.9203   35.262   12.014   38.292   8.4657  117.561   22.689  126.455   14.325 -8.894051 26.83264 
1 1 1    4   25   13 o  358.364   23.416  319.468   39.217   0.0000   0.0000  319.468   39.217  ?   ?   358.364   23.416      ?      ? 
1 1 1    4   25   14 o  199.715   14.016   93.715   11.516  105.697   22.961   89.688   13.312  205.950   23.855  193.480   14.722 12.47046 28.03193 
1 1 1    4   25   15 o  108.427   9.5209   28.599   4.7026   25.121   7.2352   31.143   6.1880  102.310   15.132  114.545   11.559 -12.23463 19.04172 
1 1 1    4   25   16 o  120.618   9.3417   34.599   5.1983   35.523   8.0634   33.942   6.8000  121.802   14.165  119.435   12.183 2.366936 18.68335 
1 1 1    4   25   17 o   87.873   9.8075   17.813   3.6931   30.716   5.9281   9.6291   4.7212  113.735   11.153   62.012   16.136 51.72312 19.61502 
1 1 1    4   25   18 o  139.728   10.763   47.179   6.9910   52.990   9.9350   41.479   9.8391  148.520   14.313  130.935   16.079 17.58533 21.52678 
1 1 1    4   25   19 o   73.095   13.617   13.905   4.6161   14.960   5.6962   11.887   7.8789   77.198   16.300   68.992   21.819 8.206329 27.23484 
1 1 1    4   25   20 o  143.879   17.453   61.222   9.9186   35.553   17.353   73.677   12.088  113.056   31.611  174.703   14.805 -61.64713 34.90587 
1 1 1    4   25   21 o   65.527   13.396   11.170   4.2942   8.3621   7.4885   12.546   5.2416   60.508   21.312   70.546   16.235 -10.03859 26.79131 
1 1 1    4   25   22 o  142.712   12.894   47.794   8.1874   57.175   14.377   43.291   9.9601  151.830   20.262  133.593   15.953 18.23717 25.78837 
1 1 1    4   25   23 o  119.780   15.054   39.824   7.3617   27.494   12.824   45.884   8.9906  101.399   26.695  138.161   13.924 -36.76219 30.10813 
1 1 1    4   25   24 o  272.501   16.391  187.418   20.858  179.197   29.472  195.669   29.524  266.053   23.702  278.949   22.647 -12.89548 32.78248 
1 1 1    4   25   25 o  160.713   11.101   62.602   8.3242   58.337   11.732   66.927   11.812  155.014   16.195  166.411   15.188 -11.39697 22.20261 
1 1 1    4   25   26 o   79.845   12.522   14.120   4.7675   26.281   7.8886   7.1225   5.9839  104.075   16.219   55.615   19.082 48.45963 25.04355 
1 1 1    4   25   27 o  243.737   15.214  148.256   17.325  143.968   24.441  152.587   24.562  239.994   21.791  247.479   21.237 -7.484604 30.42794 
1 1 1    4   25   28 o  197.295   12.825   95.768   11.810   89.658   16.541  102.123   16.869  190.638   18.565  203.951   17.697 -13.31332 25.64902 
1 1 1    4   25   29 o  134.207   11.475   44.195   7.1776   46.970   10.040   41.295   10.265  138.802   15.478  129.613   16.946 9.189163 22.95033 
1 1 1    4   25   30 o  270.115   28.933  237.113   30.149  274.748   36.956  162.217   52.133  326.459   24.222  213.772   52.552 112.6868 57.86576 
1 1 1    4   25   31 o   41.834   12.826  -0.1604   4.5817   1.9622   5.5412  -4.7481   8.1464   42.686   17.467   40.982   18.787 1.704437 25.65249 
1 1 1    4   25   32 o   72.002   11.701   13.029   4.6508   1.2653   6.7158   23.869   6.4469   44.696   18.834   99.309   13.890 -54.61343 23.40244 
1 1 1    4   25   33 o   95.187   15.263   25.605   6.5507   29.891   8.0186   17.005   11.359  110.450   15.534   79.924   26.277 30.52640 30.52570 
1 1 1    4   25   34 o  110.992   12.736   31.652   6.2743   39.494   8.8339   23.669   8.9130  127.071   14.875   94.912   20.678 32.15878 25.47294 
1 1 1    4   25   35 o  224.593   14.966  129.577   15.688  135.737   22.103  123.323   22.271  230.590   20.510  218.596   21.800 11.99353 29.93167 
1 1 1    4   25   36 o   59.359   15.791   6.8327   5.4221   5.3200   6.3509   10.900   10.414   51.195   19.366   67.524   24.949 -16.32882 31.58266 
1 1 1    4   25   37 o   84.584   15.992   19.442   6.2105   19.707   7.5560   18.891   10.903   86.624   19.171   82.545   25.602 4.079903 31.98408 
1 1 1    4   25   38 o  105.753   18.698   32.288   9.3111   37.041   12.599   26.567   13.822  116.199   23.994   95.307   28.685 20.89207 37.39698 
1 1 1    4   25   39 o  195.460   17.169  100.184   14.783   94.156   17.967  112.816   26.010  190.732   20.156  200.187   27.801 -9.455170 34.33865 
1 1 1    4   25   41 o   36.266   17.635 -13.9163   9.4988   0.0000   0.0000 -13.9163   9.4988  ?   ?    36.266   17.635      ?      ? 
1 1 1    4   25   42 o   60.792   22.966   9.0396   8.9243   0.0000   0.0000   9.0396   8.9243  ?   ?    60.792   22.966      ?      ? 
1 1 1    4   25   43 o  121.995   18.495   43.584   10.239   48.271   14.591   39.036   14.372  129.804   24.958  114.187   27.301 15.61774 36.99017 
1 1 1    4   25   44 o   62.025   14.627   9.0411   5.9760   17.671   7.9847  -1.9494   9.0107   79.330   21.151   44.721   20.209 34.60883 29.25342 
1 1 1    4   25   45 o  103.183   19.628   29.475   9.1191   29.475   9.1191   0.0000   0.0000  103.183   19.628  ?   ?       ?      ? 
1 1 1    4   25   46 o   62.590   17.156   9.7027   7.1612   16.452   11.382   5.2802   9.2134   72.136   26.171   53.044   22.189 19.09232 34.31131 
1 1 1    4   25   47 o   39.320   12.240  -0.0933   4.3674   0.7810   6.3049  -0.8997   6.0555   40.916   17.763   37.724   16.845 3.192574 24.47966 
1 1 1    4   25   48 o   60.947   16.105   10.602   5.9447   11.034   10.487   10.397   7.2161   61.919   24.479   59.976   20.934 1.942905 32.20959 
1 1 1    4   25   49 o   75.682   14.663   17.465   5.3346   15.970   7.2662   19.212   7.8568   72.249   20.545   79.114   20.927 -6.864914 29.32630 
1 1 1    4   25   50 o   51.874   13.861   7.3271   4.7618   9.9635   6.4718   4.2151   7.0313   57.535   19.839   46.213   19.362 11.32137 27.72134 
1 1 1    4   25   51 o   80.961   19.084   25.523   8.6411   21.090   12.345   29.782   12.099   72.984   27.124   88.938   26.854 -15.95396 38.16863 
1 1 1    4   25   52 o   61.594   24.532   13.287   10.605   13.287   10.605   0.0000   0.0000   61.594   24.532  ?   ?       ?      ? 
1 1 1    4   25   53 o   51.193   15.270   5.2414   6.7724   15.110   9.9207  -3.3708   9.2678   62.760   24.092   39.625   18.769 23.13540 30.54018 
1 1 1    4   26    0 o   65.686   18.096   14.156   7.4946   14.156   7.4946   14.156   7.4946   65.686   25.591   65.686   25.591 -0.000000 0.000000 
1 1 1    4   26    1 o  191.007   15.399   89.091   13.014   92.767   22.456   87.232   15.968  192.363   24.978  189.651   18.016 2.712219 30.79765 
1 1 1    4   26    2 o   67.641   13.374   11.540   4.2699   12.027   5.2450   10.583   7.3529   69.320   16.439   65.961   21.101 3.359413 26.74864 
1 1 1    4   26    3 o  161.059   11.404   62.648   8.5426   69.371   12.065   55.889   12.098  170.021   15.183  152.096   17.019 17.92465 22.80770 
1 1 1    4   26    4 o  200.405   11.623   97.534   10.611   93.366   16.783  100.310   13.697  196.067   18.315  204.743   14.314 -8.675613 23.24534 
1 1 1    4   26    5 o  228.883   12.103  127.170   12.645  124.047   19.998  129.249   16.321  225.663   18.962  232.103   15.047 -6.439377 24.20683 
1 1 1    4   26    6 o   81.171   10.600   16.027   3.9113   19.439   5.7090   13.009   5.3693   90.226   13.539   72.117   16.313 18.10847 21.19918 
1 1 1    4   26    7 o  233.271   18.102  145.355   16.260  120.915   32.541  153.486   18.771  214.113   32.519  252.429   15.911 -38.31537 36.20325 
1 1 1    4   26    8 o  283.925   16.276  178.449   19.441  256.375   39.064  152.794   22.415  317.812   26.301  250.039   19.181 67.77266 32.55217 
1 1 1    4   26    9 o   54.887   17.369   7.2524   4.9925   0.0000   0.0000   7.2524   4.9925  ?   ?    54.887   17.369      ?      ? 
1 1 1    4   26   10 o  138.511   12.455   44.913   7.6984   52.651   13.392   41.093   9.4084  146.446   19.566  130.576   15.417 15.87051 24.91065 
1 1 1    4   26   11 o  357.053   20.095  290.093   30.288  436.236   60.734  241.716   34.943  404.556   32.123  309.550   24.154 95.00568 40.19053 
1 1 1    4   26   12 o  288.558   24.431  210.940   32.947   0.0000   0.0000  210.940   32.947  ?   ?   288.558   24.431      ?      ? 
1 1 1    4   26   13 o  160.415   13.225   63.324   8.5000   62.895   17.057   63.466   9.8041  157.997   23.100  162.834   12.883 -4.836838 26.44957 
1 1 1    4   26   14 o   66.020   11.579   12.805   3.7541   2.7766   7.4301   16.243   4.3503   49.452   20.230   82.588   11.271 -33.13622 23.15786 
1 1 1    4   26   15 o  235.022   20.926  137.689   22.984   0.0000   0.0000  137.689   22.984  ?   ?   235.022   20.926      ?      ? 
1 1 1    4   26   16 o   59.942   11.757   8.8753   3.6131   12.903   5.0977   4.8096   5.1218   71.690   15.654   48.193   17.545 23.49699 23.51309 
1 1 1    4   26   17 o  106.874   15.315   29.084   7.5134   38.666   10.929   20.498   10.346  125.422   18.646   88.327   24.301 37.09451 30.62976 
1 1 1    4   26   18 o  150.661   17.243   59.197   11.490   75.770   16.322   42.915   16.177  174.990   19.958  126.332   28.123 48.65822 34.48523 
1 1 1    4   26   19 o  135.290   14.182   46.548   8.0671   43.674   14.067   47.957   9.8473  129.635   24.106  140.946   14.949 -11.31165 28.36490 
1 1 1    4   26   20 o  236.060   19.316  154.666   17.297  123.579   34.577  165.042   19.977  211.523   34.977  260.597   16.402 -49.07376 38.63187 
1 1 1    4   26   21 o  202.837   12.918  105.193   11.593   83.219   18.330  119.845   14.968  182.584   21.480  223.090   14.356 -40.50600 25.83611 
1 1 1    4   26   22 o  193.802   12.428   91.948   11.196   81.225   15.801  102.761   15.867  181.932   18.584  205.673   16.507 -23.74123 24.85645 
1 1 1    4   26   23 o   48.945   9.2399   2.4074   3.2322   13.258   4.6108  -8.0767   4.5323   73.147   13.998   24.744   12.065 48.40329 18.47975 
1 1 1    4   26   24 o  203.193   17.259  108.487   15.062  114.475   18.449   96.519   26.084  215.683   18.303  190.704   29.266 24.97958 34.51842 
1 1 1    4   26   25 o  174.509   12.803   77.049   10.009  100.502   14.118   53.348   14.193  203.442   14.849  145.576   20.861 57.86551 25.60605 
1 1 1    4   26   26 f  115.873   10.695   32.643   5.7484   27.663   7.9594   38.072   8.3109  106.364   16.012  125.382   14.183 -19.01814 21.39016 
1 1 1    4   26   27 o  189.218   20.512  109.846   14.862  134.403   18.301   62.275   25.472  234.279   16.714  144.157   37.464 90.12175 41.02360 
1 1 1    4   26   28 o  222.013   15.019  126.842   14.894  167.020   21.089   86.850   21.039  260.628   17.313  183.398   24.547 77.22923 30.03840 
1 1 1    4   26   29 o  206.563   13.717  106.828   13.242  106.077   18.635  107.594   18.819  205.850   19.370  207.277   19.427 -1.426880 27.43389 
1 1 1    4   26   30 o  118.772   11.538   34.748   6.4007   34.850   8.9092   34.639   9.2017  119.066   16.011  118.478   16.618 0.5874863 23.07609 
1 1 1    4   26   31 o  252.085   18.537  164.630   20.746  152.801   25.341  188.670   36.125  243.236   22.292  260.934   29.624 -17.69740 37.07438 
1 1 1    4   26   32 o  142.451   12.947   52.471   8.0529   67.161   11.301   37.314   11.478  165.702   14.593  119.199   21.391 46.50224 25.89415 
1 1 1    4   26   33 o  130.572   11.750   42.457   7.1231   48.001   10.117   37.007   10.031  139.546   15.513  121.598   17.651 17.94803 23.49900 
1 1 1    4   26   34 o   65.151   13.678   10.865   4.5927   14.457   6.6107   7.5131   6.3854   74.145   18.993   56.157   19.687 17.98838 27.35514 
1 1 1    4   26   35 o  151.477   14.423   57.064   9.7444   52.240   11.922   66.774   16.913  143.945   17.722  159.008   22.760 -15.06320 28.84544 
1 1 1    4   26   36 o   71.476   12.650   14.090   5.6962   24.354   7.0374  -5.4107   9.6999   99.142   15.188   43.810   20.234 55.33219 25.30020 
1 1 1    4   26   37 o  160.525   19.908   73.897   14.481   82.321   20.292   65.154   20.672  173.551   25.018  147.499   30.974 26.05254 39.81596 
1 1 1    4   26   38 o  111.568   28.236   36.947   14.736   0.0000   0.0000   36.947   14.736  ?   ?   111.568   28.236      ?      ? 
1 1 1    4   26   39 o   75.228   26.660   16.225   11.736   0.0000   0.0000   16.225   11.736  ?   ?    75.228   26.660      ?      ? 
1 1 1    4   26   40 o  162.072   29.164   79.619   21.278   0.0000   0.0000   79.619   21.278  ?   ?   162.072   29.164      ?      ? 
1 1 1    4   26   41 o   76.389   17.399   16.392   7.2111   11.754   9.8376   21.778   10.601   66.527   24.301   86.252   24.907 -19.72469 34.79827 
1 1 1    4   26   42 o   78.236   15.562   18.777   6.4616   24.259   8.0712   8.9921   10.783   94.571   18.922   61.901   24.711 32.66985 31.12399 
1 1 1    4   26   43 o  109.918   13.322   33.125   6.6143   28.123   9.3802   38.072   9.3279   99.338   20.868  120.498   16.564 -21.15977 26.64305 
1 1 1    4   26   44 o   70.828   13.139   13.918   5.0641   23.357   7.1756   4.5510   7.1479   92.835   17.171   48.820   19.892 44.01468 26.27823 
1 1 1    4   26   45 o   69.073   15.548   14.855   6.0893   6.2676   11.288   18.380   7.2319   57.346   24.305   80.800   19.397 -23.45348 31.09623 
1 1 1    4   26   46 o   49.063   13.581   5.5465   4.5965   3.5550   6.7152   7.3023   6.3051   45.616   19.001   52.509   19.410 -6.893555 27.16223 
1 1 1    4   26   47 o   34.455   10.874  -6.7891   4.2022   4.8086   6.0515 -17.5897   5.8398   46.279   18.499   22.632   11.437 23.64715 21.74888 
1 1 1    4   26   48 o   95.718   16.239   33.285   7.5827   20.652   13.447   39.174   9.1817   72.350   27.975  119.087   16.497 -46.73726 32.47731 
1 1 1    4   26   49 o   72.811   13.165   18.596   6.2232  -2.4849   11.165   28.099   7.4957   44.695   20.994  100.926   15.891 -56.23164 26.33002 
1 1 1    4   26   50 o   49.497   15.256   4.5504   6.7259   8.0713   9.5826   1.1316   9.4427   53.822   22.579   45.172   20.523 8.649929 30.51224 
1 1 1    4   26   51 o   35.852   12.242  -7.2274   6.1782  -5.1236   8.9417  -9.1493   8.5464   37.698   18.018   34.006   16.578 3.691483 24.48471 
1 1 1    4   27    0 o  218.590   21.864  125.350   29.766  125.350   29.766  125.350   29.766  218.590   30.921  218.590   30.921 -0.000000 0.000000 
1 1 1    4   27    1 o  159.256   11.297   61.583   8.3923   56.937   11.794   66.348   11.945  152.973   16.497  165.539   15.440 -12.56548 22.59465 
1 1 1    4   27    2 o  143.170   10.665   49.720   7.0164   38.869   9.7360   61.445   10.121  126.393   16.482  159.947   13.539 -33.55460 21.33003 
1 1 1    4   27    3 o   72.016   11.761   13.033   3.8939   10.805   5.3650   15.512   5.6606   65.356   17.295   78.676   15.941 -13.31966 23.52127 
1 1 1    4   27    4 o  151.521   12.727   52.366   8.6435   43.026   10.550   71.430   15.074  132.801   16.999  170.242   18.946 -37.44142 25.45394 
1 1 1    4   27    5 o  134.983   14.261   47.443   7.9614   41.000   13.899   50.590   9.7127  125.084   24.652  144.882   14.344 -19.79748 28.52170 
1 1 1    4   27    6 o  269.968   29.703  256.066   26.982  136.478   53.837  296.179   31.180  193.577   56.196  346.359   19.262 -152.7819 59.40521 
1 1 1    4   27    7 o   85.633   12.545   19.535   4.2298   15.692   8.6477   20.743   4.8495   77.919   22.494   93.347   11.116 -15.42741 25.09097 
1 1 1    4   27    8 o  153.682   12.660   56.521   9.0926   0.0000   0.0000   56.521   9.0926  ?   ?   153.682   12.660      ?      ? 
1 1 1    4   27    9 o  163.995   12.539   64.321   9.6103   0.0000   0.0000   64.321   9.6103  ?   ?   163.995   12.539      ?      ? 
1 1 1    4   27   10 o  166.854   16.457   67.669   12.833   0.0000   0.0000   67.669   12.833  ?   ?   166.854   16.457      ?      ? 
1 1 1    4   27   11 o   95.160   11.858   21.600   5.2737   0.0000   0.0000   21.600   5.2737  ?   ?    95.160   11.858      ?      ? 
1 1 1    4   27   12 o  243.221   17.681  147.604   17.426  157.898   34.835  144.168   20.126  243.637   30.593  242.806   17.736 0.8307800 35.36263 
1 1 1    4   27   13 o  106.028   13.638   29.242   6.0864   25.140   10.591   31.265   7.4373   98.021   23.436  114.035   13.955 -16.01358 27.27620 
1 1 1    4   27   14 o   31.134   14.097  -2.2678   4.4092   0.0000   0.0000  -2.2678   4.4092  ?   ?    31.134   14.097      ?      ? 
1 1 1    4   27   15 o   49.249   18.445   4.6973   5.7302   0.0000   0.0000   4.6973   5.7302  ?   ?    49.249   18.445      ?      ? 
1 1 1    4   27   16 o  153.654   15.822   57.196   11.362   0.0000   0.0000   57.196   11.362  ?   ?   153.654   15.822      ?      ? 
1 1 1    4   27   17 o   93.061   13.328   20.291   5.3765   28.325   9.3970   16.381   6.5556  105.696   19.750   80.426   17.902 25.27038 26.65549 
1 1 1    4   27   18 o   75.586   14.156   13.516   4.8407   18.619   8.5850   11.138   5.8613   84.820   21.599   66.351   18.306 18.46858 28.31290 
1 1 1    4   27   19 o   43.459   10.358   3.9430   2.7712   0.1349   4.2393   6.7842   3.6618   34.689   14.804   52.230   14.492 -17.54099 20.71670 
1 1 1    4   27   20 o  121.672   15.482   41.181   7.7327   46.766   9.4340   29.747   13.499  138.966   14.526  104.379   27.345 34.58689 30.96351 
1 1 1    4   27   21 o  114.029   11.405   32.438   5.7643   24.013   8.0265   41.410   8.2835   97.096   18.361  130.961   13.534 -33.86542 22.80985 
1 1 1    4   27   22 o  176.797   11.360   77.964   9.0757   68.955   14.262   84.095   11.766  166.886   18.286  186.708   13.484 -19.82153 22.71944 
1 1 1    4   27   23 o   61.191   12.676   9.4329   3.8731   10.442   5.4483   8.4015   5.5070   64.111   17.633   58.270   18.215 5.841457 25.35149 
1 1 1    4   27   24 o  263.386   16.512  177.516   20.321  174.112   28.756  180.913   28.721  260.608   23.610  266.164   23.089 -5.555542 33.02348 
1 1 1    4   27   25 o  150.545   12.124   57.173   8.1569   75.544   11.549   38.885   11.523  176.589   13.993  124.501   19.803 52.08752 24.24849 
1 1 1    4   27   26 o  203.130   12.660  102.926   11.932   89.300   16.837  116.676   16.913  188.740   19.088  217.520   16.637 -28.77956 25.32061 
1 1 1    4   27   27 o  108.934   14.683   30.719   6.6860   30.812   7.9885   30.504   12.217  112.145   15.242  105.722   25.101 6.423225 29.36618 
1 1 1    4   27   28 f  275.144   26.848  237.113   29.727  200.067   51.313  255.826   36.470  239.915   47.446  310.374   25.143 -70.45871 53.69585 
1 1 1    4   27   29 o  201.036   15.950  101.237   14.341  119.226   24.761   92.156   17.593  211.592   25.040  190.479   19.762 21.11351 31.89902 
1 1 1    4   27   30 f   94.102   12.219   23.032   5.1273   14.345   7.1987   31.977   7.3047   73.659   20.273  114.546   13.645 -40.88731 24.43707 
1 1 1    4   27   31 o   95.133   14.890   24.163   6.2459   24.947   7.6426   22.586   10.838  100.146   16.329   90.121   24.904 10.02458 29.78047 
1 1 1    4   27   32 o   79.740   15.411   17.582   5.7455   18.736   6.9410   15.069   10.241   84.766   18.073   74.713   24.968 10.05262 30.82222 
1 1 1    4   27   33 o   86.405   14.313   16.708   5.6253   9.5318   6.7551   32.941   10.160   61.127   20.273  111.683   20.210 -50.55594 28.62578 
1 1 1    4   27   34 o  140.914   27.135   56.556   17.222   56.556   17.222   0.0000   0.0000  140.914   27.135  ?   ?       ?      ? 
1 1 1    4   27   36 o   55.453   22.076   6.1097   8.5845   0.0000   0.0000   6.1097   8.5845  ?   ?    55.453   22.076      ?      ? 
1 1 1    4   27   37 o  200.313   36.001  135.002   32.464   0.0000   0.0000  135.002   32.464  ?   ?   200.313   36.001      ?      ? 
1 1 1    4   27   38 f   47.358   14.107   2.0963   5.4907   5.1855   7.0195  -2.7734   8.8133   51.116   20.085   43.601   19.816 7.514473 28.21468 
1 1 1    4   27   39 o   95.398   16.142   25.868   6.8135   25.785   8.3240   26.036   11.861   97.888   18.880   92.908   26.189 4.979530 32.28473 
1 1 1    4   27   40 o  130.010   15.650   46.266   9.0091   42.064   11.280   53.669   14.971  125.032   19.304  134.989   24.639 -9.956764 31.30042 
1 1 1    4   27   41 o   39.713   12.413  -0.3132   4.5690  -2.0889   6.4302   1.4976   6.4935   37.085   16.882   42.341   18.203 -5.255909 24.82627 
1 1 1    4   27   42 o   92.789   16.737   27.070   7.1786   22.418   12.591   29.310   8.7379   82.426   27.684  103.152   18.819 -20.72527 33.47491 
1 1 1    4   27   43 o  110.095   16.820   34.566   7.9694   43.201   14.154   30.558   9.6432  116.768   26.539  103.421   20.674 13.34657 33.64093 
1 1 1    4   27   44 f   81.117   14.521   19.712   5.5108   20.547   7.8848   18.914   7.7053   82.920   20.470   79.315   20.602 3.605644 29.04226 
1 1 1    4   27   45 o   57.573   12.812   8.2744   4.7859  -1.2591   6.8495   17.368   6.6898   38.294   17.429   76.852   18.784 -38.55738 25.62470 
1 1 1    4   27   46 f  100.550   13.742   30.175   6.2821   25.355   9.0000   34.756   8.7728   89.433   21.744  111.666   16.810 -22.23303 27.48405 
1 1 1    4   27   47 o   36.676   12.467  -7.6712   6.2792  -4.5121   8.8831 -10.8261   8.8771   38.995   18.442   34.358   16.782 4.637100 24.93477 
1 1 1    4   27   48 o   47.109   14.884   2.9569   6.6850   3.0270   9.1293   2.8760   9.8160   46.755   20.794   47.463   21.302 -0.7078018 29.76821 
1 1 1    4   27   49 o   51.223   15.610   6.9676   6.8707   10.702   9.8940   3.4898   9.5485   55.881   23.152   46.564   20.945 9.316418 31.22019 
1 1 1    4   28    0 o   99.462   17.509   27.782   9.9599   27.782   9.9599   27.782   9.9599   99.462   24.762   99.462   24.762 -0.000000 0.000000 
1 1 1    4   28    1 o  115.268   14.924   35.409   7.7568   13.662   10.777   58.785   11.173   74.626   25.609  155.910   15.334 -81.28324 29.84882 
1 1 1    4   28    2 o   94.111   15.090   22.794   6.4719   21.782   8.8305   23.968   9.5130   91.933   21.011   96.288   21.664 -4.354813 30.17954 
1 1 1    4   28    3 o   65.770   13.339   10.709   4.2248   11.973   6.8391   9.9285   5.3725   68.729   20.051   62.810   17.598 5.919415 26.67867 
1 1 1    4   28    4 o  169.489   16.615   76.669   11.547   63.578   20.057   83.158   14.122  153.951   28.939  185.028   16.331 -31.07710 33.22906 
1 1 1    4   28    5 o   64.338   13.106   8.8972   4.0894   15.880   7.1969   5.5678   4.9697   78.742   19.626   49.934   17.376 28.80829 26.21268 
1 1 1    4   28    6 o   77.117   11.851   12.320   3.7343   21.921   7.6827   9.3492   4.2731   93.166   18.297   61.068   15.065 32.09828 23.70154 
1 1 1    4   28    7 o  232.349   14.414  133.929   15.630  126.381   22.137  141.432   22.071  225.398   21.015  239.300   19.735 -13.90210 28.82894 
1 1 1    4   28    8 o  220.978   11.610  115.704   11.823  136.561   18.730  101.890   15.243  236.874   16.919  205.083   15.904 31.79074 23.22079 
1 1 1    4   28    9 o  146.264   11.958   49.530   7.2219   57.661   14.429   46.813   8.3420  152.629   20.228  139.899   12.759 12.72995 23.91569 
1 1 1    4   28   10 o   94.028   13.114   23.041   5.2696   24.909   6.4505   19.293   9.1369  101.891   13.546   86.165   22.460 15.72609 26.22877 
1 1 1    4   28   11 o   60.398   13.144   7.4496   4.1331   14.513   7.0440   3.7411   5.1040   75.275   19.769   45.522   17.327 29.75229 26.28753 
1 1 1    4   28   12 o   53.489   17.080   6.9098   4.8190   0.0000   0.0000   6.9098   4.8190  ?   ?    53.489   17.080      ?      ? 
1 1 1    4   28   13 o  148.301   15.769   53.504   10.929   0.0000   0.0000   53.504   10.929  ?   ?   148.301   15.769      ?      ? 
1 1 1    4   28   14 o   64.310   14.614   10.399   4.2924   0.0000   0.0000   10.399   4.2924  ?   ?    64.310   14.614      ?      ? 
1 1 1    4   28   15 o   70.435   14.269   12.414   4.5359   0.0000   0.0000   12.414   4.5359  ?   ?    70.435   14.269      ?      ? 
1 1 1    4   28   16 o   60.346   13.185   7.9557   3.8629   12.895   7.0993   5.8784   4.6041   70.690   20.374   50.001   16.741 20.68872 26.36943 
1 1 1    4   28   17 o  138.613   15.411   54.820   7.7956   38.649   15.479   60.316   9.0235  118.595   28.318  158.631   12.171 -40.03635 30.82264 
1 1 1    4   28   18 o   71.753   11.649   12.989   4.1051   19.562   5.8187   6.4750   5.7925   90.036   13.828   53.470   18.750 36.56629 23.29776 
1 1 1    4   28   19 o  201.443   19.919  120.750   14.238   83.968   28.262  133.261   16.483  168.661   36.882  234.225   15.058 -65.56398 39.83754 
1 1 1    4   28   20 o   76.902   12.830   14.581   4.0916   16.300   8.1323   13.999   4.7346   78.852   21.483   74.952   14.032 3.899750 25.65999 
1 1 1    4   28   21 o  139.921   10.865   47.866   7.1028   46.780   10.058   48.947   10.032  138.256   15.566  141.587   15.160 -3.331421 21.72901 
1 1 1    4   28   22 o  167.630   14.336   68.265   10.720   81.250   18.675   61.885   13.091  177.518   22.511  157.741   17.758 19.77658 28.67177 
1 1 1    4   28   23 o  131.424   15.269   45.433   8.4048   42.885   14.760   46.655   10.224  125.157   26.080  137.690   15.889 -12.53281 30.53889 
1 1 1    4   28   24 o  124.533   13.541   35.518   7.3116   56.820   12.851   25.322   8.8908  150.588   18.261   98.478   20.001 52.11040 27.08261 
1 1 1    4   28   25 o   63.723   9.7191   8.4570   3.7023  -2.5395   5.0177   21.598   5.4853   32.914   14.956   94.532   12.416 -61.61763 19.43822 
1 1 1    4   28   26 o   82.418   13.839   18.939   5.3295   22.551   6.6089   12.221   9.0125   95.875   14.750   68.961   23.421 26.91376 27.67839 
1 1 1    4   28   27 o  124.514   15.296   43.669   7.8513   49.490   9.6742   32.438   13.438  141.976   14.580  107.052   26.894 34.92378 30.59216 
1 1 1    4   28   28 o   91.495   13.752   20.767   5.4855   17.611   6.7328   27.001   9.4610   82.191   18.024  100.799   20.774 -18.60818 27.50338 
1 1 1    4   28   29 o  136.733   17.430   61.054   9.6829   78.428   11.915   27.268   16.616  178.580   14.277   94.885   31.803 83.69479 34.86045 
1 1 1    4   28   30 o   80.306   22.672   17.695   8.8816   0.0000   0.0000   17.695   8.8816  ?   ?    80.306   22.672      ?      ? 
1 1 1    4   28   31 o  127.976   24.083   45.161   13.875   0.0000   0.0000   45.161   13.875  ?   ?   127.976   24.083      ?      ? 
1 1 1    4   28   32 o   56.774   20.950   7.5273   7.3384   0.0000   0.0000   7.5273   7.3384  ?   ?    56.774   20.950      ?      ? 
1 1 1    4   28   33 f   37.887   17.912  -7.4697   8.3679   0.0000   0.0000  -7.4697   8.3679  ?   ?    37.887   17.912      ?      ? 
1 1 1    4   28   34 o   59.162   22.584   8.2838   8.6867   0.0000   0.0000   8.2838   8.6867  ?   ?    59.162   22.584      ?      ? 
1 1 1    4   28   35 o  140.068   26.720   57.471   16.853   57.471   16.853   0.0000   0.0000  140.068   26.720  ?   ?       ?      ? 
1 1 1    4   28   36 o   60.066   15.521   8.7793   5.3648   7.9960   6.4623   10.516   9.6229   56.231   19.799   63.901   23.908 -7.669453 31.04183 
1 1 1    4   28   37 o   65.601   15.224   12.277   5.5726   14.848   7.1053   8.1679   8.9821   72.733   20.189   58.468   22.792 14.26509 30.44790 
1 1 1    4   28   38 o   93.247   14.198   24.634   6.0091   22.306   8.4062   27.065   8.5932   88.035   20.768   98.458   19.365 -10.42311 28.39531 
1 1 1    4   28   39 o  121.897   12.355   39.637   7.0382   39.938   9.9263   39.333   9.9808  122.475   17.342  121.318   17.603 1.157036 24.71082 
1 1 1    4   28   40 f   48.030   14.379   3.0216   5.3160   2.2078   6.5341   4.6149   9.1426   43.755   18.515   52.305   22.004 -8.550205 28.75782 
1 1 1    4   28   41 o   62.605   13.881   10.858   5.0716   17.673   7.1298   3.8780   7.2157   78.031   19.582   47.180   19.678 30.85053 27.76103 
1 1 1    4   28   42 o  118.717   13.954   41.189   7.3686   31.881   10.407   50.546   10.434  101.073   22.599  136.360   16.373 -35.28700 27.90705 
1 1 1    4   28   43 o   48.040   13.562   5.5234   4.6078   6.2445   6.3581   4.7257   6.6871   49.315   19.190   46.766   19.169 2.549446 27.12324 
1 1 1    4   28   44 o   92.004   16.706   29.969   7.2760   24.507   12.568   32.722   8.9235   78.624   27.616  105.384   18.808 -26.76036 33.41241 
1 1 1    4   28   45 o   70.740   15.467   17.984   6.2644   9.2169   11.195   21.982   7.5587   56.404   24.064   85.076   19.436 -28.67241 30.93314 
1 1 1    4   28   46 o   52.477   15.859   6.8610   7.0538   2.5737   9.9760   11.148   9.9753   47.045   21.262   57.908   23.536 -10.86287 31.71756 
1 1 1    4   28   47 o   61.704   17.267   14.799   7.4265   12.089   10.271   17.767   10.751   57.505   23.685   65.902   25.132 -8.397274 34.53381 
1 1 1    4   29    0 o   58.169   18.524   12.013   7.6297   12.013   7.6297   12.013   7.6297   58.169   26.197   58.169   26.197 -0.000000 0.000000 
1 1 1    4   29    1 o  102.201   14.264   33.527   6.6618   46.692   8.2024   8.0145   11.418  139.365   12.593   65.038   25.597 74.32747 28.52702 
1 1 1    4   29    2 o  257.951   19.590  172.500   22.388  162.568   27.368  192.591   38.926  251.675   23.268  264.227   31.522 -12.55156 39.17955 
1 1 1    4   29    3 o  117.557   14.780   40.365   7.1509   51.067   8.9726   21.732   11.839  145.546   13.191   89.569   26.453 55.97728 29.55954 
1 1 1    4   29    4 o  107.250   14.142   31.572   6.3628   36.074   7.8436   22.909   10.881  122.169   13.738   92.331   24.723 29.83847 28.28347 
1 1 1    4   29    5 o  163.813   18.247   71.611   13.225   90.894   18.853   52.929   18.557  189.592   21.277  138.035   29.650 51.55725 36.49427 
1 1 1    4   29    6 o  187.494   18.109   98.915   13.653  112.355   16.854   73.260   23.287  213.870   16.862  161.118   32.054 52.75189 36.21849 
1 1 1    4   29    7 o   73.224   12.834   14.807   4.6012   18.753   5.6735   7.2256   7.8648   88.113   13.778   58.336   21.656 29.77654 25.66707 
1 1 1    4   29    8 o  198.704   19.024  111.188   15.178  124.523   18.625   84.831   26.186  224.773   17.730  172.635   33.665 52.13823 38.04875 
1 1 1    4   29    9 o  191.428   18.665   95.950   16.612  107.095   23.675   85.140   23.316  203.526   24.890  179.331   27.820 24.19513 37.32915 
1 1 1    4   29   10 o  189.048   20.034   96.336   16.878   75.995   23.827  116.819   23.910  164.743   32.101  213.354   23.980 -48.61087 40.06870 
1 1 1    4   29   11 o  176.115   13.261   69.944   10.404  104.459   18.327   53.530   12.638  205.086   19.121  147.144   18.378 57.94168 26.52134 
1 1 1    4   29   12 o   63.932   13.321   8.5646   4.1812   16.371   7.4885   5.0286   5.0400   79.442   20.142   48.422   17.438 31.01965 26.64136 
1 1 1    4   29   13 o  138.480   14.186   49.054   8.3661   46.861   14.329   50.188   10.305  133.446   23.852  143.514   15.364 -10.06805 28.37170 
1 1 1    4   29   14 o  107.862   14.613   32.894   6.5211   22.289   11.519   37.895   7.9108   90.535   25.911  125.188   13.521 -34.65318 29.22651 
1 1 1    4   29   15 o  103.324   14.183   29.164   6.1968   22.307   10.735   32.591   7.5888   90.771   24.663  115.877   14.013 -25.10586 28.36600 
1 1 1    4   29   16 o   61.266   14.848   9.1131   5.1233   9.3709   7.3221   8.8658   7.1712   61.920   21.110   60.613   20.885 1.306767 29.69529 
1 1 1    4   29   17 o  126.534   22.562   42.225   12.853   0.0000   0.0000   42.225   12.853  ?   ?   126.534   22.562      ?      ? 
1 1 1    4   29   18 o  116.090   16.258   35.927   8.5075   37.855   12.032   33.998   12.031  119.673   22.334  112.507   23.633 7.165916 32.51634 
1 1 1    4   29   19 f   51.597   12.232   2.5243   3.9056  -2.7873   4.7625   13.432   6.8249   31.576   14.434   71.618   19.751 -40.04192 24.46302 
1 1 1    4   29   20 o  152.630   13.178   53.408   8.9659   38.812   10.988   82.482   15.508  124.017   18.959  181.244   18.309 -57.22749 26.35613 
1 1 1    4   29   21 o  177.812   12.017   79.711   9.7054  100.851   13.802   59.034   13.650  202.911   14.555  152.712   19.126 50.19872 24.03400 
1 1 1    4   29   22 f  110.608   10.891   30.255   5.5962   34.076   7.9474   26.497   7.8813  117.913   14.422  103.302   16.325 14.61129 21.78275 
1 1 1    4   29   23 o  194.550   18.559  106.731   14.943   92.243   25.570  114.246   18.416  176.694   32.149  212.407   18.551 -35.71294 37.11729 
1 1 1    4   29   24 o  174.578   14.559   73.113   11.418  102.431   19.737   58.365   13.998  198.400   21.286  150.757   19.868 47.64349 29.11728 
1 1 1    4   29   25 o   73.944   14.549   14.317   5.1304   16.606   8.1571   12.819   6.5991   78.320   21.590   69.567   19.508 8.753029 29.09833 
1 1 1    4   29   26 o  247.268   39.812  202.858   46.007   0.0000   0.0000  202.858   46.007  ?   ?   247.268   39.812      ?      ? 
1 1 1    4   29   27 o  160.169   25.272   70.353   18.917   0.0000   0.0000   70.353   18.917  ?   ?   160.169   25.272      ?      ? 
1 1 1    4   29   28 o  133.083   15.728   44.302   9.7825   0.0000   0.0000   44.302   9.7825  ?   ?   133.083   15.728      ?      ? 
1 1 1    4   29   29 o   39.583   18.369  -5.0646   8.1357   0.0000   0.0000  -5.0646   8.1357  ?   ?    39.583   18.369      ?      ? 
1 1 1    4   29   30 o  106.495   25.157   33.047   12.321   0.0000   0.0000   33.047   12.321  ?   ?   106.495   25.157      ?      ? 
1 1 1    4   29   31 o  136.988   18.961   55.235   11.695   55.386   16.204   55.071   16.895  137.950   26.090  136.026   27.521 1.924332 37.92234 
1 1 1    4   29   32 o  152.280   19.345   68.186   13.294   54.925   18.541   82.217   19.071  132.445   30.573  172.115   23.709 -39.66937 38.68938 
1 1 1    4   29   33 o   43.994   13.423   0.2712   4.7454  -1.7157   5.7653   4.4452   8.3562   36.126   16.260   51.863   21.362 -15.73705 26.84648 
1 1 1    4   29   34 o   70.149   15.563   14.931   6.1731   6.2018   10.927   19.024   7.4815   57.621   24.139   82.677   19.652 -25.05588 31.12653 
1 1 1    4   29   35 o   59.902   14.246   9.9857   4.7238   9.2056   6.6711   10.770   6.6900   58.006   20.134   61.798   20.159 -3.792824 28.49195 
1 1 1    4   29   36 o  122.839   13.590   41.961   7.2934   29.003   10.174   55.661   10.461   99.077   22.487  146.602   15.268 -47.52472 27.18054 
1 1 1    4   29   37 o   78.858   14.346   17.847   5.5142   12.082   7.7373   23.797   7.8606   64.913   21.702   92.803   18.769 -27.88992 28.69263 
1 1 1    4   29   38 o   52.669   14.404   6.4799   5.4875  -0.9361   9.2903   10.454   6.8007   44.944   20.395   60.394   20.346 -15.45036 28.80805 
1 1 1    4   29   39 o   49.245   14.447   5.0860   5.2789   5.2588   6.4814   4.7454   9.0984   47.933   19.151   50.556   21.635 -2.622486 28.89324 
1 1 1    4   29   40 o   46.621   12.986   3.9585   4.6565  -2.4784   6.9291   9.2594   6.2880   37.029   17.102   56.213   19.546 -19.18378 25.97135 
1 1 1    4   29   41 f   73.190   14.649   16.945   5.3327   20.069   7.4889   13.732   7.5953   81.041   19.915   65.339   21.488 15.70187 29.29762 
1 1 1    4   29   42 o   46.003   14.083   3.0568   5.2699   6.6881   9.1487   1.2536   6.4470   51.835   21.920   40.171   17.688 11.66452 28.16659 
1 1 1    4   29   43 o   57.336   15.602   8.7435   5.5625   16.593   10.062   5.2886   6.6754   67.624   24.595   47.048   19.203 20.57583 31.20383 
1 1 1    4   29   44 o   42.576   13.841  -0.9421   6.4522  -6.2709   8.9719   4.7663   9.2859   37.039   17.795   48.114   21.205 -11.07534 27.68169 
1 1 1    4   29   45 o   37.476   12.310  -0.8406   4.8197   0.4974   5.5715  -4.8192   9.6073   36.122   16.141   38.830   18.591 -2.708073 24.62042 
1 1 1    4   30    0 o  129.579   11.621   42.051   9.5167   42.051   9.5167   42.051   9.5167  129.579   16.435  129.579   16.435 -0.000000 0.000000 
1 1 1    4   30    1 o  204.905   18.913  117.319   15.798  127.307   19.340   97.292   27.386  226.013   18.310  183.797   33.099 42.21649 37.82573 
1 1 1    4   30    2 o  178.502   15.209   81.152   11.933   80.918   14.644   81.613   20.588  180.759   17.335  176.245   24.995 4.514343 30.41769 
1 1 1    4   30    3 o  239.290   23.241  170.026   22.350  136.991   38.608  186.677   27.410  208.398   41.101  270.183   21.708 -61.78468 46.48152 
1 1 1    4   30    4 o  116.902   12.102   31.629   6.2742   41.085   11.219   27.326   7.5683  128.140   18.734  105.664   15.326 22.47586 24.20447 
1 1 1    4   30    5 o  274.575   21.586  206.374   26.070  218.502   45.139  200.304   31.935  273.048   35.373  276.103   24.749 -3.054657 43.17116 
1 1 1    4   30    6 o  125.159   10.512   38.272   6.1382   41.102   8.7406   35.518   8.6219  129.894   14.398  120.424   15.320 9.469803 21.02378 
1 1 1    4   30    7 o  132.252   12.599   40.894   7.4204   52.743   13.127   35.330   8.9954  144.701   19.411  119.803   16.066 24.89869 25.19762 
1 1 1    4   30    8 f  202.138   21.862  116.140   19.273   81.691   27.030  151.769   27.489  164.028   36.228  240.247   24.483 -76.21973 43.72462 
1 1 1    4   30    9 o  157.069   15.776   65.828   10.400   58.814   17.778   69.477   12.824  146.383   26.981  167.755   16.357 -21.37152 31.55142 
1 1 1    4   30   10 o   56.391   14.009   6.8379   4.4307   10.126   7.5004   5.0756   5.4911   63.656   21.367   49.126   18.123 14.53020 28.01810 
1 1 1    4   30   11 o  134.806   13.114   43.006   8.0039   57.456   13.519   35.209   9.9315  150.915   19.168  118.698   17.903 32.21709 26.22870 
1 1 1    4   30   12 f   92.925   13.847   21.296   6.6914   42.504   10.062   4.4816   8.9595  131.046   16.430   54.804   22.294 76.24197 27.69369 
1 1 1    4   30   13 o   87.183   14.033   20.018   5.4009   20.296   6.6996   19.501   9.1276   89.268   16.672   85.097   22.578 4.170639 28.06646 
1 1 1    4   30   14 o   93.434   15.737   23.499   6.9129   16.668   9.6572   30.677   9.9000   78.558   24.049  108.310   20.304 -29.75112 31.47430 
1 1 1    4   30   15 o   78.493   15.245   16.323   6.0338   22.705   8.6030   10.145   8.4647   92.727   20.405   64.258   22.656 28.46925 30.49032 
1 1 1    4   30   16 o  197.417   21.145  123.082   14.683   83.338   29.181  136.556   16.991  159.613   39.365  235.221   15.456 -75.60767 42.29020 
1 1 1    4   30   17 o  177.849   14.242   80.301   10.196   82.590   20.343   79.533   11.783  175.417   24.814  180.282   13.984 -4.864990 28.48307 
1 1 1    4   30   18 o  192.004   15.322   91.145   13.749   0.0000   0.0000   91.145   13.749  ?   ?   192.004   15.322      ?      ? 
1 1 1    4   30   19 o  103.079   12.758   25.853   6.1460   0.0000   0.0000   25.853   6.1460  ?   ?   103.079   12.758      ?      ? 
1 1 1    4   30   20 o   43.679   15.999   4.0448   4.2685   0.0000   0.0000   4.0448   4.2685  ?   ?    43.679   15.999      ?      ? 
1 1 1    4   30   21 o  199.828   15.441   99.191   14.420   0.0000   0.0000   99.191   14.420  ?   ?   199.828   15.441      ?      ? 
1 1 1    4   30   22 o   85.252   14.058   17.889   5.6010   0.0000   0.0000   17.889   5.6010  ?   ?    85.252   14.058      ?      ? 
1 1 1    4   30   23 o   93.339   13.179   21.341   5.7491   0.0000   0.0000   21.341   5.7491  ?   ?    93.339   13.179      ?      ? 
1 1 1    4   30   24 o   74.444   18.362   14.733   6.3485   0.0000   0.0000   14.733   6.3485  ?   ?    74.444   18.362      ?      ? 
1 1 1    4   30   25 o   67.301   14.848   12.301   4.9932   11.461   9.0220   12.672   5.9951   65.820   23.370   68.782   18.321 -2.961517 29.69562 
1 1 1    4   30   26 o   86.029   14.869   19.632   5.6528   23.626   9.9146   17.708   6.8808   90.942   23.241   81.116   18.553 9.826416 29.73806 
1 1 1    4   30   27 o   86.927   17.504   19.991   6.8652   19.991   6.8652   0.0000   0.0000   86.927   17.504  ?   ?       ?      ? 
1 1 1    4   30   28 o   47.829   11.095   4.1164   4.1097   10.855   4.7570 -15.7144   8.1606   64.311   15.914   31.347   15.466 32.96451 22.19072 
1 1 1    4   30   29 o  115.375   16.635   34.106   8.9694   34.106   8.9694   0.0000   0.0000  115.375   16.635  ?   ?       ?      ? 
1 1 1    4   30   30 o   65.781   13.200   11.838   4.2568   12.781   6.0081   10.887   6.0321   68.407   18.394   63.156   18.937 5.250359 26.39957 
1 1 1    4   30   31 o  112.881   12.871   34.340   6.3224   21.628   8.5950   49.329   9.3331   86.549   21.376  139.214   14.345 -52.66566 25.74281 
1 1 1    4   30   32 f   75.303   13.665   16.159   5.0288   10.647   7.0418   21.896   7.1839   61.324   20.703   89.283   17.841 -27.95882 27.32976 
1 1 1    4   30   33 o   52.517   13.741   6.8914   4.4634   7.1125   6.0247   6.6225   6.6451   52.751   19.055   52.283   19.802 0.4678383 27.48117 
1 1 1    4   30   34 o   49.557   14.565   4.1343   5.2807   4.9006   9.2933   3.7689   6.4173   52.881   22.213   46.232   18.844 6.649250 29.12914 
1 1 1    4   30   35 o  101.103   13.423   29.463   6.0747   39.978   8.5748   18.869   8.6072  123.826   14.817   78.379   22.386 45.44687 26.84529 
1 1 1    4   30   36 o   54.288   13.745   8.1805   4.4900   6.0937   6.2956   10.341   6.4055   49.369   19.127   59.206   19.746 -9.837345 27.49093 
1 1 1    4   30   37 o   90.792   13.488   24.099   5.6752   17.434   7.8502   31.395   8.2140   74.479   21.412  107.105   16.410 -32.62671 26.97680 
1 1 1    4   30   38 o   30.672   10.343  -5.5665   4.1025  -7.3583   5.5984  -3.4884   6.0291   28.112   13.639   33.232   15.551 -5.120302 20.68513 
1 1 1    4   30   39 o   47.086   13.531   5.2197   4.7012   6.4875   6.4410   3.7741   6.8776   49.303   19.278   44.869   18.992 4.433353 27.06173 
1 1 1    4   30   40 f  121.879   21.935   62.633   13.207   45.567   18.542   80.209   18.817   95.923   33.552  147.835   28.265 -51.91175 43.87075 
1 1 1    4   30   41 o   51.307   22.039   6.8137   9.5046   6.8137   9.5046   0.0000   0.0000   51.307   22.039  ?   ?       ?      ? 
1 1 1    4   30   42 o   53.098   22.483   9.0003   9.6436   9.0003   9.6436   0.0000   0.0000   53.098   22.483  ?   ?       ?      ? 
1 1 1    4   31    0 o   46.966   18.164   7.9858   8.0531   7.9858   8.0531   7.9858   8.0531   46.966   25.688   46.966   25.688 -0.000000 0.000000 
1 1 1    4   31    1 o   51.061   14.105   1.6353   5.5364  -6.3384   7.6159   10.572   8.0625   37.319   17.468   64.802   22.151 -27.48265 28.21041 
1 1 1    4   31    2 o   55.124   14.832   6.1246   5.3724   8.2813   7.3975   3.7174   7.8152   59.181   21.146   51.067   20.803 8.114052 29.66299 
1 1 1    4   31    3 o   74.267   16.010   14.697   6.0934   12.747   8.5469   16.713   8.6897   69.795   22.787   78.739   22.494 -8.944412 32.01921 
1 1 1    4   31    4 f  103.418   16.741   29.469   7.9772   23.602   11.472   34.961   11.100   91.922   25.703  114.913   21.457 -22.99135 33.48186 
1 1 1    4   31    5 o   82.375   23.659   18.530   9.5887   0.0000   0.0000   18.530   9.5887  ?   ?    82.375   23.659      ?      ? 
1 1 1    4   31    6 o  153.166   17.850   63.669   12.475   67.748   17.621   59.570   17.664  160.012   23.563  146.320   26.819 13.69228 35.70010 
1 1 1    4   31    7 o  130.018   17.257   45.716   10.245   50.800   14.587   40.766   14.392  139.250   22.414  120.785   26.245 18.46487 34.51331 
1 1 1    4   31    8 o  156.825   17.175   70.450   10.918   53.363   18.669   79.331   13.459  134.970   30.335  178.680   16.117 -43.71016 34.35070 
1 1 1    4   31    9 o  177.713   14.856   80.229   10.657   84.907   21.304   78.668   12.308  176.666   25.803  178.760   14.732 -2.093369 29.71201 
1 1 1    4   31   10 o  266.882   17.938  174.869   20.012  238.859   40.087  153.629   23.095  289.545   29.624  244.219   20.235 45.32552 35.87552 
1 1 1    4   31   11 o  130.763   11.120   39.072   6.0522   50.350   12.165   35.363   6.9770  140.825   18.484  120.702   12.368 20.12269 22.24017 
1 1 1    4   31   12 o   92.751   13.549   22.342   5.1585   22.319   9.9865   22.351   6.0244   89.905   23.504   95.597   13.484 -5.691734 27.09706 
1 1 1    4   31   13 o  170.002   14.448   68.258   10.954  105.183   18.903   49.592   13.440  201.895   20.034  138.108   20.823 63.78676 28.89573 
1 1 1    4   31   14 o   42.327   15.917   3.5526   4.2754   0.0000   0.0000   3.5526   4.2754  ?   ?    42.327   15.917      ?      ? 
1 1 1    4   31   15 o   89.481   13.831   19.667   5.7842   0.0000   0.0000   19.667   5.7842  ?   ?    89.481   13.831      ?      ? 
1 1 1    4   31   16 o  177.329   18.130   80.032   15.025   0.0000   0.0000   80.032   15.025  ?   ?   177.329   18.130      ?      ? 
1 1 1    4   31   17 o  153.752   25.540   65.246   18.352   0.0000   0.0000   65.246   18.352  ?   ?   153.752   25.540      ?      ? 
1 1 1    4   31   18 o  156.616   17.927   62.619   13.122   0.0000   0.0000   62.619   13.122  ?   ?   156.616   17.927      ?      ? 
1 1 1    4   31   19 o   79.347   19.226   16.932   7.0547   0.0000   0.0000   16.932   7.0547  ?   ?    79.347   19.226      ?      ? 
1 1 1    4   31   20 o   60.669   21.119   9.5254   7.3420   9.5254   7.3420   0.0000   0.0000   60.669   21.119  ?   ?       ?      ? 
1 1 1    4   31   21 o   67.934   12.925   12.268   4.2153   10.100   5.7157   14.853   6.2415   61.507   18.431   74.360   18.125 -12.85258 25.84990 
1 1 1    4   31   22 o   94.656   14.233   24.118   5.9054   24.043   7.2461   24.268   10.190   97.350   15.927   91.963   23.594 5.387009 28.46667 
1 1 1    4   31   23 o   35.039   10.854  -0.8522   3.4438  -2.7942   4.7155   1.3675   5.0414   30.996   14.240   39.082   16.385 -8.085291 21.70868 
1 1 1    4   31   24 o   78.705   14.406   14.897   5.1990   25.557   9.2798   10.021   6.2765   96.111   21.226   61.298   19.483 34.81311 28.81259 
1 1 1    4   31   25 o   27.528   9.5431  -8.2167   3.5894  -7.9812   6.6255  -8.3145   4.2703   32.015   15.357   23.041   11.333 8.973848 19.08611 
1 1 1    4   31   26 o  100.009   12.238   29.013   5.1351   17.027   8.0730   37.159   6.6549   77.119   21.560  122.899   11.587 -45.77966 24.47621 
1 1 1    4   31   27 o   50.401   12.572   6.2302   3.5889   7.5320   5.9006   5.4658   4.5214   53.768   18.920   47.033   16.561 6.734722 25.14405 
1 1 1    4   31   28 o  144.196   10.551   51.972   6.9957   65.770   11.076   42.814   9.0234  159.686   14.841  128.707   15.001 30.97852 21.10218 
1 1 1    4   31   29 o   48.840   13.804   4.1270   4.5937   2.0909   5.6711   8.0119   7.8338   41.449   17.378   56.231   21.451 -14.78230 27.60700 
1 1 1    4   31   30 o   76.670   13.098   15.927   4.6127   13.248   6.0247   19.723   7.1707   69.013   18.359   84.328   18.686 -15.31548 26.19591 
1 1 1    4   31   31 o   41.778   12.023   2.9730   3.6070   3.2843   4.5202   2.4274   5.9848   41.003   16.115   42.553   17.847 -1.550274 24.04651 
1 1 1    4   31   32 f  157.752   14.100   71.388   9.6686   50.390   13.390   94.263   13.976  127.853   23.267  187.651   15.936 -59.79852 28.20095 
1 1 1    4   31   33 o   77.199   14.248   18.130   5.2056   19.281   7.0022   16.709   7.7834   81.245   18.812   73.154   21.405 8.091118 28.49672 
1 1 1    4   31   34 o   44.210   12.435   2.8410   4.0817  -1.3489   5.3785   8.5312   6.2679   34.086   15.487   54.334   19.459 -20.24773 24.86976 
1 1 1    4   31   35 o   95.897   13.869   27.960   6.0847   33.402   8.4092   21.980   8.8153  109.778   16.391   82.016   22.377 27.76190 27.73735 
1 1 1    4   31   36 o   59.836   14.294   11.221   4.7473   11.575   6.3915   10.785   7.0902   61.064   19.688   58.609   20.727 2.454544 28.58726 
1 1 1    4   31   37 o   66.760   16.355   14.328   7.4244   25.854   10.276   1.7443   10.738   85.862   24.439   47.659   21.742 38.20290 32.71032 
1 1 1    4   31   38 o   34.109   11.714  -8.8985   5.9110  -6.2678   8.1829 -11.7690   8.5479   35.575   17.065   32.642   16.051 2.932102 23.42789 
1 1 1    4   31   39 o   46.092   14.616   3.2213   6.5892   0.0001   9.2332   6.5644   9.4062   42.374   19.631   49.811   21.660 -7.437408 29.23200 
1 1 1    4   32    0 o  171.843   20.289   80.958   21.112   80.958   21.112   80.958   21.112  171.843   28.693  171.843   28.693 -0.000000 0.000000 
1 1 1    4   32    1 o  248.079   16.344  164.686   18.909  175.593   26.741  153.777   26.741  257.488   22.221  238.671   23.974 18.81693 32.68838 
1 1 1    4   32    2 o  215.936   18.927  127.378   18.146  139.049   31.129  121.371   22.333  217.952   30.560  213.921   22.338 4.031097 37.85406 
1 1 1    4   32    3 o  250.598   27.481  214.201   27.021  162.134   46.480  240.780   33.209  202.287   49.556  298.910   23.772 -96.62288 54.96261 
1 1 1    4   32    4 o  145.403   15.850   58.344   9.7080   50.167   16.239   62.892   12.110  132.420   27.152  158.387   16.360 -25.96753 31.69986 
1 1 1    4   32    5 o   62.364   13.304   10.250   4.2454   11.700   5.6966   8.4392   6.3671   66.699   17.901   58.029   19.686 8.669907 26.60781 
1 1 1    4   32    6 o  209.875   14.129  114.499   13.812  123.049   19.411  105.729   19.659  218.849   18.978  200.900   20.938 17.94888 28.25894 
1 1 1    4   32    7 o  235.120   15.568  146.779   17.031  131.860   23.947  162.049   24.228  221.567   23.126  248.673   20.847 -27.10670 31.13522 
1 1 1    4   32    8 o  107.629   15.585   32.635   7.0150   34.745   8.3695   27.652   12.862  118.150   15.157   97.108   27.236 21.04272 31.16969 
1 1 1    4   32    9 o   31.501   10.871 -12.2892   5.2012 -14.3049   7.1342 -10.0022   7.5989   29.267   14.443   33.736   16.250 -4.468470 21.74130 
1 1 1    4   32   10 o   74.912   11.746   13.384   4.4928   4.2821   5.8921   26.027   6.9442   47.454   18.471  102.370   14.515 -54.91578 23.49145 
1 1 1    4   32   11 o   48.580   13.577   3.8600   4.7656  -0.0000   7.0962   7.0309   6.4317   42.799   18.708   54.362   19.681 -11.56382 27.15339 
1 1 1    4   32   12 o   53.447   13.759   5.5633   4.5453   11.044   7.2956   2.0860   5.8110   64.220   21.057   42.674   17.717 21.54687 27.51868 
1 1 1    4   32   13 o   63.466   13.549   11.461   4.7106   14.863   5.7218   4.3054   8.2986   75.085   16.733   51.847   21.314 23.23808 27.09808 
1 1 1    4   32   14 o   99.572   12.955   27.675   5.6978   39.032   7.8826   15.249   8.2454  125.454   13.444   73.690   22.150 51.76386 25.91067 
1 1 1    4   32   15 f  139.627   17.748   59.320   10.053   65.826   12.182   45.432   17.799  160.816   16.209  118.438   31.579 42.37839 35.49602 
1 1 1    4   32   16 o   43.770   13.102   2.1405   4.0501   2.5929   4.5751   0.5016   8.7077   40.338   16.098   47.203   20.675 -6.864925 26.20362 
1 1 1    4   32   17 o  169.245   16.146   72.727   12.771   0.0000   0.0000   72.727   12.771  ?   ?   169.245   16.146      ?      ? 
1 1 1    4   32   18 o   85.687   16.506   19.205   6.3704   0.0000   0.0000   19.205   6.3704  ?   ?    85.687   16.506      ?      ? 
1 1 1    4   32   19 o  117.160   13.266   34.035   6.9183   43.047   12.208   29.771   8.3970  126.589   20.634  107.731   16.678 18.85821 26.53149 
1 1 1    4   32   20 o  114.432   13.497   32.674   6.1599   40.502   12.446   30.134   7.0891  119.149   23.185  109.715   13.826 9.434647 26.99415 
1 1 1    4   32   21 o   55.406   12.075   9.0056   3.8265  -0.9837   8.2186   11.770   4.3238   43.577   19.529   67.234   14.205 -23.65695 24.14925 
1 1 1    4   32   22 o  126.165   10.089   39.834   5.8406   44.315   9.3510   36.968   7.4789  131.133   15.258  121.197   13.204 9.935463 20.17812 
1 1 1    4   32   23 o  106.549   10.183   27.946   4.9682   36.266   8.0087   22.741   6.3343  118.919   14.410   94.180   14.391 24.73874 20.36564 
1 1 1    4   32   24 o   66.961   11.289   13.262   3.8483   5.1381   6.2397   18.250   4.8888   48.485   18.970   85.437   12.244 -36.95153 22.57838 
1 1 1    4   32   25 o   49.701   12.290   5.7847   3.8587   9.6285   5.2414   1.2362   5.7016   59.327   17.621   40.076   17.138 19.25071 24.58065 
1 1 1    4   32   26 o  146.777   11.404   58.024   7.4393   47.842   11.703   64.929   9.6370  132.762   18.862  160.793   12.824 -28.03140 22.80834 
1 1 1    4   32   27 o  175.069   12.181   82.252   9.7531   83.768   15.416   81.240   12.594  173.962   18.961  176.177   15.296 -2.215149 24.36169 
1 1 1    4   32   28 o   47.470   11.713   5.7417   3.3424   3.1364   4.8334   8.1293   4.6270   40.883   16.465   54.056   16.663 -13.17327 23.42571 
1 1 1    4   32   29 o   60.043   12.225   9.4633   3.9723   3.9806   5.2607   16.736   6.0589   43.332   17.272   76.754   17.304 -33.42186 24.44923 
1 1 1    4   32   30 o  105.066   16.338   36.771   7.7517   29.550   12.831   40.921   9.7274   88.800   27.811  121.332   17.155 -32.53175 32.67594 
1 1 1    4   32   31 o   51.124   12.121   7.1751   4.0377   11.742   5.1355  -0.2192   6.5343   63.715   16.950   38.534   17.330 25.18095 24.24137 
1 1 1    4   32   32 o   34.022   10.862  -0.7166   3.6252   0.4724   4.5153  -2.8732   6.0811   34.108   14.915   33.937   15.793 0.1710205 21.72313 
1 1 1    4   32   33 o   81.341   14.115   20.750   5.3900   23.930   7.3897   17.135   7.8789   90.287   18.142   72.395   21.627 17.89204 28.22938 
1 1 1    4   32   34 o  129.792   18.460   59.470   10.262   58.732   17.818   59.837   12.553  117.439   31.718  142.145   18.896 -24.70562 36.91998 
1 1 1    4   32   35 o   39.810   12.774   0.5022   5.0088  -1.5360   8.7151   1.5075   6.1206   40.477   18.860   39.143   17.235 1.334347 25.54890 
1 1 1    4   32   36 o   41.456   13.582  -0.3318   6.2183  -1.5766   8.3935   1.1826   9.2579   39.438   18.421   43.474   19.965 -4.035652 27.16489 
1 1 1    4   33    0 o   37.163   16.137   3.5719   7.6509   3.5719   7.6509   3.5719   7.6509   37.163   22.821   37.163   22.821 -0.000000 0.000000 
1 1 1    4   33    1 o  174.179   21.909   96.794   16.748   54.324   23.553  140.232   23.820  121.788   37.604  226.571   22.495 -104.7836 43.81880 
1 1 1    4   33    2 o   83.243   23.746   19.924   9.6910   19.924   9.6910   0.0000   0.0000   83.243   23.746  ?   ?       ?      ? 
1 1 1    4   33    3 o  146.100   13.713   48.756   8.7128   35.930   10.302   80.975   16.328  117.299   18.793  174.901   19.976 -57.60255 27.42611 
1 1 1    4   33    4 o   84.482   17.021   20.891   7.3666   26.869   10.085   14.055   10.786   97.805   22.528   71.158   25.522 26.64662 34.04250 
1 1 1    4   33    5 o   88.228   13.028   21.582   5.3189   29.167   7.2739   12.865   7.7976  108.064   14.403   68.391   21.714 39.67339 26.05646 
1 1 1    4   33    6 o   42.177   12.362   1.9451   3.9685   0.9485   5.2681   3.2525   6.0341   38.970   16.564   45.384   18.355 -6.413834 24.72434 
1 1 1    4   33    7 o  128.303   11.766   42.022   7.0488   42.164   9.7796   41.868   10.169  128.780   16.249  127.826   17.022 0.9541245 23.53256 
1 1 1    4   33    8 o   61.375   13.582   10.140   4.3860   11.666   5.7963   8.0943   6.7088   65.924   18.210   56.826   20.155 9.098068 27.16332 
1 1 1    4   33    9 o  106.164   11.579   28.778   5.7338   30.411   8.0631   27.107   8.1555  109.549   15.749  102.778   16.979 6.770607 23.15823 
1 1 1    4   33   10 o  184.130   12.304   87.667   10.350   86.891   16.327   88.188   13.382  181.484   19.249  186.777   15.331 -5.293121 24.60848 
1 1 1    4   33   11 o  140.538   10.985   51.367   6.9429   44.106   10.860   56.387   9.0292  130.122   17.857  150.954   12.799 -20.83127 21.97026 
1 1 1    4   33   12 f   37.355   11.807  -1.0451   4.1319  -3.7064   7.0739   0.3331   5.0906   37.598   17.335   37.112   16.036 0.4868202 23.61457 
1 1 1    4   33   13 o   46.342   11.420   3.8888   3.6143   9.4026   4.9513  -2.4005   5.2881   59.246   16.997   33.437   15.256 25.80897 22.83909 
1 1 1    4   33   14 o   95.690   13.008   22.303   5.0741   31.547   10.056   19.145   5.8772  105.817   21.074   85.563   15.257 20.25365 26.01696 
1 1 1    4   33   15 o  104.294   12.259   25.968   5.4793   38.267   10.314   21.132   6.4675  119.366   18.488   89.222   16.103 30.14447 24.51766 
1 1 1    4   33   16 o   55.666   13.956   8.3426   4.5708   6.1874   7.6180   9.5549   5.7136   52.516   20.831   58.816   18.578 -6.299759 27.91219 
1 1 1    4   33   17 o   42.464   12.335   2.1261   3.5645   5.6571   6.8160   0.7969   4.1820   50.321   19.785   34.607   14.735 15.71433 24.66960 
1 1 1    4   33   18 o   70.584   13.389   14.636   4.2623   11.799   8.5397   15.577   4.9188   63.954   22.734   77.213   14.153 -13.25866 26.77893 
1 1 1    4   33   19 o  108.267   13.850   33.285   5.8495   30.160   11.445   34.390   6.8056   99.190   24.764  117.344   12.410 -18.15332 27.69954 
1 1 1    4   33   20 o   66.097   14.693   12.840   5.0894   9.6813   8.9430   14.353   6.1895   60.338   22.943   71.856   18.363 -11.51716 29.38638 
1 1 1    4   33   21 o   40.521   11.609   2.7708   3.4063  -4.0665   7.4480   4.5792   3.8303   37.669   17.513   43.373   15.245 -5.703712 23.21893 
1 1 1    4   33   22 o   53.451   12.050   8.4755   3.7985  -0.5074   7.9407   11.141   4.3255   42.477   19.104   64.425   14.692 -21.94860 24.09991 
1 1 1    4   33   23 o   58.562   12.301   9.4698   3.5165   10.893   5.8101   8.6473   4.4175   61.293   18.631   55.831   16.065 5.462059 24.60130 
1 1 1    4   33   24 o   58.385   11.712   9.9545   3.4998   6.4755   5.4523   12.393   4.5643   49.387   18.083   67.383   14.890 -17.99639 23.42499 
1 1 1    4   33   25 o   71.329   11.396   15.267   3.9923   7.4020   6.0927   21.185   5.2850   51.796   19.093   90.863   12.446 -39.06695 22.79128 
1 1 1    4   33   26 o   90.600   12.551   24.298   5.1838   34.598   7.3171   13.918   7.3451  114.809   13.637   66.392   21.074 48.41703 25.10157 
1 1 1    4   33   27 o   55.792   11.848   9.1437   3.4866   6.1652   5.2532   11.489   4.6614   47.845   17.711   63.739   15.741 -15.89423 23.69547 
1 1 1    4   33   28 o   70.465   12.093   14.981   4.0385   10.729   6.0968   18.306   5.3907   59.204   19.242   81.725   14.652 -22.52195 24.18510 
1 1 1    4   33   29 o   87.554   11.666   22.842   4.5131   14.505   6.7422   29.609   6.0747   68.074   19.923  107.033   12.144 -38.95940 23.33223 
1 1 1    4   33   30 o   31.365   10.798  -6.1081   3.6186  -7.3739   4.0474  -1.0658   8.0780   22.317   10.987   40.414   18.593 -18.09710 21.59699 
1 1 1    4   33   31 o   54.198   12.878   9.2486   4.0999   11.605   5.1893   5.3351   6.6879   62.007   17.268   46.389   19.110 15.61794 25.75617 
1 1 1    4   33   32 o   58.630   14.274   11.529   4.7414   11.005   7.1993   11.931   6.3009   57.013   20.794   60.248   19.560 -3.235165 28.54810 
1 1 1    4   34    0 o   53.826   19.797   11.924   9.1593   11.924   9.1593   11.924   9.1593   53.826   27.997   53.826   27.997 -0.000000 0.000000 
1 1 1    4   34    1 o   54.688   14.710   6.1001   5.7595  -1.0853   8.2649   12.884   8.0304   43.031   19.409   66.345   22.108 -23.31372 29.41904 
1 1 1    4   34    2 o  108.380   15.372   35.521   7.1945   39.391   8.9297   28.360   12.146  123.110   15.520   93.650   26.538 29.45995 30.74360 
1 1 1    4   34    3 o  106.087   14.116   28.618   6.6423   18.743   8.2073   47.365   11.308   79.778   21.518  132.396   18.276 -52.61845 28.23228 
1 1 1    4   34    4 o   60.265   15.438   10.079   5.6156   9.0009   7.9865   11.133   7.8976   58.086   21.771   62.444   21.894 -4.357635 30.87614 
1 1 1    4   34    5 o   75.412   13.160   16.396   4.7709   21.119   6.5308   10.990   6.9863   88.686   16.359   62.138   20.617 26.54823 26.31917 
1 1 1    4   34    6 o  126.132   16.665   47.362   8.6305   47.864   10.288   46.172   15.857  134.891   16.319  117.372   29.062 17.51818 33.33002 
1 1 1    4   34    7 o   62.936   14.706   11.895   5.3358   14.671   6.2934   4.7969   10.063   72.298   18.538   53.574   22.835 18.72428 29.41264 
1 1 1    4   34    8 o   91.631   15.322   22.994   6.0734   20.145   7.2734   29.557   11.038   84.915   18.822   98.347   24.183 -13.43169 30.64489 
1 1 1    4   34    9 o   59.513   14.073   5.8230   5.9978  -7.6031   8.3948   19.823   8.5725   37.025   17.631   82.000   21.939 -44.97486 28.14531 
1 1 1    4   34   10 o   58.056   14.285   7.1452   4.8879   15.701   8.2189   2.4628   6.0800   72.949   22.156   43.163   18.038 29.78690 28.57027 
1 1 1    4   34   11 o   48.043   17.364   5.6291   5.0033   0.0000   0.0000   5.6291   5.0033  ?   ?    48.043   17.364      ?      ? 
1 1 1    4   34   12 o   69.365   14.553   11.692   4.7090   20.485   9.0080   8.3856   5.5239   82.976   22.612   55.755   18.325 27.22078 29.10502 
1 1 1    4   34   13 o   86.871   12.847   18.107   4.5605   27.950   9.1486   14.853   5.2608   99.157   20.422   74.584   15.594 24.57301 25.69488 
1 1 1    4   34   14 o   74.716   12.812   15.627   4.4283   15.111   6.2406   16.150   6.2848   73.343   18.273   76.089   17.962 -2.746155 25.62327 
1 1 1    4   34   15 o   54.608   11.945   7.8622   3.4873   11.438   5.1768   4.8911   4.7185   64.035   17.010   45.180   16.774 18.85473 23.88943 
1 1 1    4   34   16 o   57.303   12.919   9.2230   3.9168   7.6909   5.3324   11.018   5.7721   52.815   18.015   61.792   18.523 -8.977074 25.83884 
1 1 1    4   34   17 o   87.596   10.717   19.703   4.1736   28.689   6.6080   13.739   5.3831  105.273   13.431   69.920   16.703 35.35336 21.43307 
1 1 1    4   34   18 o   48.329   10.947   5.0386   3.1721   11.246   4.8889   0.5256   4.1687   63.168   16.412   33.490   14.491 29.67749 21.89371 
1 1 1    4   34   19 o   39.480   15.113   3.4581   3.8971   0.0000   0.0000   3.4581   3.8971  ?   ?    39.480   15.113      ?      ? 
1 1 1    4   34   20 o   40.970   12.185   2.5657   3.9869  -0.5265   6.8728   4.1340   4.8946   39.110   17.664   42.830   16.790 -3.720753 24.37004 
1 1 1    4   34   21 o   83.068   15.276   20.542   5.7240   27.324   10.001   17.239   6.9803   90.939   23.397   75.197   19.646 15.74188 30.55122 
1 1 1    4   34   22 o   45.076   12.794   4.4625   3.7816   5.7622   7.1945   3.9663   4.4452   48.726   19.917   41.427   16.066 7.299316 25.58899 
1 1 1    4   34   23 o  128.108   16.484   54.314   7.9855   48.903   15.933   56.130   9.2283  110.513   30.055  145.703   13.552 -35.19052 32.96883 
1 1 1    4   34   24 o  129.481   10.580   44.434   6.3219   52.701   9.9449   38.827   8.1896  138.923   15.317  120.040   14.598 18.88340 21.15956 
1 1 1    4   34   25 o   73.281   11.696   15.596   3.8667   14.699   6.0508   16.214   5.0271   69.825   18.315   76.737   14.550 -6.911583 23.39102 
1 1 1    4   34   26 o   78.415   12.851   18.547   4.6310   20.795   6.6289   16.404   6.4723   83.963   17.462   72.868   18.860 11.09460 25.70247 
1 1 1    4   34   27 o   79.155   13.023   19.228   4.7223   17.485   6.4279   21.272   6.9604   75.073   18.452   83.237   18.384 -8.163841 26.04650 
1 1 1    4   34   28 o  102.204   12.658   31.742   5.8105   36.058   8.0358   27.014   8.4118  113.097   15.203   91.311   20.243 21.78609 25.31625 
1 1 1    4   35    0 o   18.783   9.4283  -5.9516   4.9605  -5.9516   4.9605  -5.9516   4.9605   18.783   13.334   18.783   13.334 -0.000000 0.000000 
1 1 1    4   35    1 o   54.854   14.713   7.4194   4.9357   11.852   8.6723   5.2959   6.0027   62.204   22.802   47.504   18.601 14.69947 29.42662 
1 1 1    4   35    2 o  160.497   18.916   84.754   12.564   81.967   21.892   86.123   15.343  146.216   32.840  174.777   18.784 -28.56029 37.83193 
1 1 1    4   35    3 f   65.975   14.219   9.9116   5.8373   25.478   9.0903  -1.0110   7.6146   91.294   21.636   40.656   18.455 50.63802 28.43794 
1 1 1    4   35    4 o   58.746   14.568   9.2784   5.5146   2.2663   7.8235   16.203   7.7744   45.217   19.707   72.275   21.459 -27.05856 29.13499 
1 1 1    4   35    5 o   53.725   15.005   7.5832   5.6255   5.6675   8.4244   9.1250   7.5574   51.014   21.268   56.437   21.174 -5.422840 30.01090 
1 1 1    4   35    6 o   91.664   17.141   28.557   8.3443   14.741   11.849   42.147   11.752   66.138   26.061  117.191   22.272 -51.05341 34.28148 
1 1 1    4   35    7 o   52.055   14.745   6.5992   5.6566   9.6212   7.4740   2.5474   8.6544   57.282   21.141   46.829   20.559 10.45262 29.48981 
1 1 1    4   35    8 o   57.235   15.933   8.7502   6.4034   4.5190   8.6853   13.789   9.4780   49.443   21.148   65.027   23.838 -15.58430 31.86642 
1 1 1    4   35    9 o   64.406   14.288   11.191   5.0968   20.372   8.1193   5.2208   6.5475   81.125   21.185   47.687   19.178 33.43861 28.57666 
1 1 1    4   35   10 o   41.003   12.053   2.7658   3.7697   2.4758   4.9482   3.1668   5.8196   39.423   16.356   42.584   17.709 -3.161880 24.10667 
1 1 1    4   35   11 o   45.192   12.423   3.9737   3.9338   0.5757   5.2613   8.2817   5.9241   36.674   16.067   53.711   18.951 -17.03730 24.84576 
1 1 1    4   35   12 o   97.174   12.223   22.653   4.9372   37.516   9.9900   17.850   5.6793  114.128   18.730   80.220   15.711 33.90759 24.44645 
1 1 1    4   35   13 o  105.829   10.344   29.040   5.0357   36.081   8.0048   24.429   6.4782  115.989   14.767   95.669   14.489 20.31921 20.68810 
1 1 1    4   35   14 o   40.571   11.022   3.4008   3.1695  -0.0441   4.8097   6.0453   4.2140   34.161   15.147   46.981   16.015 -12.82022 22.04344 
1 1 1    4   35   15 o  115.128   12.228   37.657   6.3687   43.012   9.0932   32.501   8.9225  125.417   15.514  104.840   18.906 20.57677 24.45638 
1 1 1    4   35   16 o   51.132   13.173   7.5462   4.2139   9.2713   5.3174   4.6338   6.9091   55.931   17.950   46.334   19.284 9.596405 26.34510 
1 1 1    4   35   17 o   36.543   10.910   1.6548   3.2136   2.7397   4.6181   0.6363   4.4746   38.831   15.924   34.255   14.917 4.575466 21.81998 
1 1 1    4   35   18 o   66.403   13.087   13.331   4.2069   13.210   5.7526   13.470   6.1681   66.448   18.054   66.358   18.950 0.9048462E-01 26.17324 
1 1 1    4   35   19 o   58.800   12.301   11.589   4.2468   1.4645   8.3444   15.128   4.9335   43.772   19.643   73.829   14.813 -30.05686 24.60261 
1 1 1    4   35   20 f   75.952   13.397   17.951   4.7929   20.689   6.6575   15.005   6.9058   83.676   17.583   68.229   20.217 15.44750 26.79354 
1 1 1    4   35   21 o   58.680   14.415   11.102   4.6381   11.928   8.4513   10.745   5.5484   58.633   22.301   58.727   18.271 -0.9419250E-01 28.82987 
1 1 1    4   35   22 o  104.127   16.207   39.787   7.5126   31.896   13.133   43.624   9.1590   84.587   28.275  123.667   15.847 -39.08064 32.41323 
1 1 1    4   35   23 o   53.726   13.223   9.5524   4.5247   3.2399   8.0365   12.482   5.4749   44.162   19.581   63.290   17.777 -19.12887 26.44659 
1 1 1    4   36    0 o  167.597   25.750   98.196   25.000   98.196   25.000   98.196   25.000  167.597   36.416  167.597   36.416 -0.000000 0.000000 
1 1 1    4   36    1 o  110.352   20.923   48.606   11.130   52.863   15.332   43.863   16.183  119.667   27.924  101.038   31.165 18.62894 41.84517 
1 1 1    4   36    2 o   38.104   12.724  -4.1045   5.7887  -4.1130   7.4005  -4.0910   9.2912   36.049   16.982   40.160   18.952 -4.111305 25.44765 
1 1 1    4   36    3 o   67.948   17.586   16.073   7.3430   11.502   9.6970   22.218   11.243   59.329   23.512   76.567   26.158 -17.23869 35.17215 
1 1 1    4   36    4 f  111.802   17.861   47.994   9.0656   53.643   10.795   34.475   16.700  138.304   16.700   85.300   31.578 53.00436 35.72218 
1 1 1    4   36    5 o   55.263   15.265   8.5693   5.1553   7.7519   5.9284   11.104   10.441   51.797   18.873   58.729   23.998 -6.932549 30.53041 
1 1 1    4   36    6 o   56.119   15.463   8.8128   5.3296   7.3426   6.2308   12.821   10.288   50.932   19.202   61.307   24.243 -10.37468 30.92664 
1 1 1    4   36    7 o   89.039   16.028   25.747   6.3554   24.880   7.6171   27.734   11.530   91.778   18.399   86.299   26.249 5.478096 32.05556 
1 1 1    4   36    8 o  102.642   18.311   30.954   8.4617   30.954   8.4617   0.0000   0.0000  102.642   18.311  ?   ?       ?      ? 
1 1 1    4   36    9 o   59.998   15.269   11.548   5.2049   11.652   6.0281   11.243   10.318   61.457   19.032   58.540   23.881 2.917339 30.53722 
1 1 1    4   36   10 o   87.777   18.604   30.071   8.5656   34.692   11.438   24.172   12.925   99.629   24.691   75.925   27.836 23.70405 37.20846 
1 1 1    4   36   11 o   92.949   13.468   26.102   5.6423   23.630   7.6483   29.054   8.3575   87.866   19.165   98.032   18.927 -10.16609 26.93559 
1 1 1    4   36   12 o   43.246   12.290   3.4563   4.4641   8.0645   5.3445  -7.1793   8.1193   51.842   18.020   34.649   16.717 17.19352 24.58023 
1 1 1    4   36   13 o   86.100   13.023   22.731   5.0918   25.822   7.2149   19.664   7.1870   93.611   17.122   78.589   19.626 15.02150 26.04567 
1 1 1    4   36   14 o   93.047   12.441   26.207   5.2155   32.216   7.3076   19.969   7.4459  107.963   14.483   78.132   20.232 29.83114 24.88118 
1 1 1    4   36   15 o   59.210   12.007   11.781   4.6261   18.350   5.6531  -1.5362   8.0488   79.548   15.763   38.873   18.117 40.67466 24.01464 
1 1 1    5    0    1 o  113.577   6.1810   30.694   4.5766   30.694   4.5766   30.694   4.5766  113.577   8.7412  113.577   8.7412 -0.000000 0.000000 
1 1 1    5    0    2 o  110.283   6.0607   28.949   4.3562   28.949   4.3562   28.949   4.3562  110.283   8.5711  110.283   8.5711 -0.000000 0.000000 
1 1 1    5    0    3 o  448.501   17.174  476.547   50.567  476.547   50.567  476.547   50.567  448.501   24.287  448.501   24.287 -0.000000 0.000000 
1 1 1    5    0    4 o  492.009   18.654  574.050   60.261  574.050   60.261  574.050   60.261  492.009   26.381  492.009   26.381 -0.000000 0.000000 
1 1 1    5    0    5 o  284.164   11.545  191.029   21.519  191.029   21.519  191.029   21.519  284.164   16.327  284.164   16.327 -0.000000 0.000000 
1 1 1    5    0    6 o   27.648   7.7926   2.4713   1.3777   2.4713   1.3777   2.4713   1.3777   27.648   11.020   27.648   11.020 -0.000000 0.000000 
1 1 1    5    0    7 o  130.135   7.7465   40.460   6.5542   40.460   6.5542   40.460   6.5542  130.135   10.955  130.135   10.955 -0.000000 0.000000 
1 1 1    5    0    8 o  137.243   9.9533   45.489   8.8109   45.489   8.8109   45.489   8.8109  137.243   14.076  137.243   14.076 -0.000000 0.000000 
1 1 1    5    0    9 o  256.915   15.174  158.357   25.353  158.357   25.353  158.357   25.353  256.915   21.460  256.915   21.460 -0.000000 0.000000 
1 1 1    5    0   10 o  127.284   14.897   41.035   11.500   41.035   11.500   41.035   11.500  127.284   21.068  127.284   21.068 -0.000000 0.000000 
1 1 1    5    0   12 o  418.575   35.360  440.241   94.134  440.241   94.134  440.241   94.134  418.575   50.006  418.575   50.006 -0.000000 0.000000 
1 1 1    5    0   13 o  459.136   38.738  532.334  113.135  532.334  113.135  532.334  113.135  459.136   54.785  459.136   54.785 -0.000000 0.000000 
1 1 1    5    0   14 o  219.741   20.139  119.505   27.894  119.505   27.894  119.505   27.894  219.741   28.481  219.741   28.481 -0.000000 0.000000 
1 1 1    5    0   15 o  182.361   11.526   79.833   13.637   79.833   13.637   79.833   13.637  182.361   16.300  182.361   16.300 -0.000000 0.000000 
1 1 1    5    0   16 f  230.116   13.711  127.108   20.513  127.108   20.513  127.108   20.513  230.116   19.390  230.116   19.390 -0.000000 0.000000 
1 1 1    5    0   17 o  132.824   10.160   42.792   8.6551   42.792   8.6551   42.792   8.6551  132.824   14.369  132.824   14.369 -0.000000 0.000000 
1 1 1    5    0   18 o   39.469   11.289   5.0756   2.8789   5.0756   2.8789   5.0756   2.8789   39.469   15.965   39.469   15.965 -0.000000 0.000000 
1 1 1    5    0   19 o   22.713   9.4486   1.3761   2.4079   1.3761   2.4079   1.3761   2.4079   22.713   13.362   22.713   13.362 -0.000000 0.000000 
1 1 1    5    0   20 o  119.307   9.7603   34.653   7.4282   34.653   7.4282   34.653   7.4282  119.307   13.803  119.307   13.803 -0.000000 0.000000 
1 1 1    5    0   21 o  120.613   9.5971   35.328   7.4013   35.328   7.4013   35.328   7.4013  120.613   13.572  120.613   13.572 -0.000000 0.000000 
1 1 1    5    0   22 o   50.146   11.971   7.5957   3.5485   7.5957   3.5485   7.5957   3.5485   50.146   16.929   50.146   16.929 -0.000000 0.000000 
1 1 1    5    0   23 o  369.758   20.359  327.108   49.060  327.108   49.060  327.108   49.060  369.758   28.792  369.758   28.792 -0.000000 0.000000 
1 1 1    5    0   24 o  1008.40   55.850  2518.06  366.981  2518.06  366.981  2518.06  366.981  1008.40   78.984  1008.40   78.984 -0.000000 0.000000 
1 1 1    5    0   25 o  192.278   12.424   88.713   15.485   88.713   15.485   88.713   15.485  192.278   17.570  192.278   17.570 -0.000000 0.000000 
1 1 1    5    0   26 o  439.703   24.156  463.471   69.226  463.471   69.226  463.471   69.226  439.703   34.162  439.703   34.162 -0.000000 0.000000 
1 1 1    5    0   27 o   52.370   12.045   8.1641   3.6890   8.1641   3.6890   8.1641   3.6890   52.370   17.034   52.370   17.034 -0.000000 0.000000 
1 1 1    5    0   28 o  187.362   10.245   83.614   12.513   83.614   12.513   83.614   12.513  187.362   14.489  187.362   14.489 -0.000000 0.000000 
1 1 1    5    0   29 o  444.824   36.825  489.486  104.383  489.486  104.383  489.486  104.383  444.824   52.078  444.824   52.078 -0.000000 0.000000 
1 1 1    5    0   30 o  470.013   25.803  530.880   79.045  530.880   79.045  530.880   79.045  470.013   36.491  470.013   36.491 -0.000000 0.000000 
1 1 1    5    0   31 o  116.911   10.486   33.513   7.7471   33.513   7.7471   33.513   7.7471  116.911   14.829  116.911   14.829 -0.000000 0.000000 
1 1 1    5    0   32 o  147.670   9.3840   52.270   8.9887   52.270   8.9887   52.270   8.9887  147.670   13.271  147.670   13.271 -0.000000 0.000000 
1 1 1    5    0   33 o  381.628   16.651  346.248   41.632  346.248   41.632  346.248   41.632  381.628   23.548  381.628   23.548 -0.000000 0.000000 
1 1 1    5    0   34 o  119.657   9.2878   34.714   7.1198   34.714   7.1198   34.714   7.1198  119.657   13.135  119.657   13.135 -0.000000 0.000000 
1 1 1    5    0   35 o  785.047   33.643  1494.78  173.091  1494.78  173.091  1494.78  173.091  785.047   47.578  785.047   47.578 -0.000000 0.000000 
1 1 1    5    0   36 o  103.962   9.8649   26.649   6.4356   26.649   6.4356   26.649   6.4356  103.962   13.951  103.962   13.951 -0.000000 0.000000 
1 1 1    5    0   37 o  366.279   16.519  319.625   39.618  319.625   39.618  319.625   39.618  366.279   23.362  366.279   23.362 -0.000000 0.000000 
1 1 1    5    0   38 o   30.274   12.999   1.9700   4.8413   1.9700   4.8413   1.9700   4.8413   30.274   18.384   30.274   18.384 -0.000000 0.000000 
1 1 1    5    0   39 o  263.332   16.131  167.525   27.591  167.525   27.591  167.525   27.591  263.332   22.813  263.332   22.813 -0.000000 0.000000 
1 1 1    5    0   40 o  143.244   12.775   50.540   11.571   50.540   11.571   50.540   11.571  143.244   18.066  143.244   18.066 -0.000000 0.000000 
1 1 1    5    0   41 o  279.186   16.528  188.385   30.005  188.385   30.005  188.385   30.005  279.186   23.374  279.186   23.374 -0.000000 0.000000 
1 1 1    5    0   42 o  157.553   10.102   59.736   10.321   59.736   10.321   59.736   10.321  157.553   14.287  157.553   14.287 -0.000000 0.000000 
1 1 1    5    0   43 o  115.774   9.9516   32.864   7.3149   32.864   7.3149   32.864   7.3149  115.774   14.074  115.774   14.074 -0.000000 0.000000 
1 1 1    5    0   44 o  103.944   15.999   28.922   9.6309   28.922   9.6309   28.922   9.6309  103.944   22.625  103.944   22.625 -0.000000 0.000000 
1 1 1    5    0   45 o  303.201   27.996  237.555   53.455  237.555   53.455  237.555   53.455  303.201   39.592  303.201   39.592 -0.000000 0.000000 
1 1 1    5    0   46 o  144.269   12.111   51.215   11.119   51.215   11.119   51.215   11.119  144.269   17.128  144.269   17.128 -0.000000 0.000000 
1 1 1    5    0   47 o   42.620   16.205   6.2209   6.3060   6.2209   6.3060   6.2209   6.3060   42.620   22.917   42.620   22.917 -0.000000 0.000000 
1 1 1    5    0   48 o  258.393   12.697  160.782   21.443  160.782   21.443  160.782   21.443  258.393   17.956  258.393   17.956 -0.000000 0.000000 
1 1 1    5    0   49 o   44.879   16.238   7.1183   6.0964   7.1183   6.0964   7.1183   6.0964   44.879   22.964   44.879   22.964 -0.000000 0.000000 
1 1 1    5    0   50 o  165.669   10.727   66.599   11.519   66.599   11.519   66.599   11.519  165.669   15.170  165.669   15.170 -0.000000 0.000000 
1 1 1    5    0   51 o   23.759   11.392  -2.6675   5.3477  -2.6675   5.3477  -2.6675   5.3477   23.759   16.111   23.759   16.111 -0.000000 0.000000 
1 1 1    5    0   52 o   41.026   15.837   5.7745   6.1088   5.7745   6.1088   5.7745   6.1088   41.026   22.397   41.026   22.397 -0.000000 0.000000 
1 1 1    5    0   53 o   57.611   16.843   11.214   6.3684   11.214   6.3684   11.214   6.3684   57.611   23.820   57.611   23.820 -0.000000 0.000000 
1 1 1    5    0   54 o  237.642   12.313  136.964   19.101  136.964   19.101  136.964   19.101  237.642   17.414  237.642   17.414 -0.000000 0.000000 
1 1 1    5    0   55 o   37.913   15.628   4.3138   6.4853   4.3138   6.4853   4.3138   6.4853   37.913   22.102   37.913   22.102 -0.000000 0.000000 
1 1 1    5    0   56 o   89.134   16.917   22.765   8.6126   22.765   8.6126   22.765   8.6126   89.134   23.925   89.134   23.925 -0.000000 0.000000 
1 1 1    5    0   57 o  152.384   10.553   56.843   10.395   56.843   10.395   56.843   10.395  152.384   14.925  152.384   14.925 -0.000000 0.000000 
1 1 1    5    0   58 o   64.167   16.816   13.316   6.6203   13.316   6.6203   13.316   6.6203   64.167   23.781   64.167   23.781 -0.000000 0.000000 
1 1 1    5    0   59 o   29.368   14.718 -14.0908   11.920 -14.0908   11.920 -14.0908   11.920   29.368   20.815   29.368   20.815 -0.000000 0.000000 
1 1 1    5    0   60 o   30.728   15.275 -11.8272   12.017 -11.8272   12.017 -11.8272   12.017   30.728   21.602   30.728   21.602 -0.000000 0.000000 
1 1 1    5    0   61 o  136.701   20.218   52.305   16.095   52.305   16.095   52.305   16.095  136.701   28.592  136.701   28.592 -0.000000 0.000000 
1 1 1    5    0   62 o   65.010   21.948   16.114   10.811   16.114   10.811   16.114   10.811   65.010   31.039   65.010   31.039 -0.000000 0.000000 
1 1 1    5    0   63 o  100.847   13.856   27.295   8.2342   27.295   8.2342   27.295   8.2342  100.847   19.595  100.847   19.595 -0.000000 0.000000 
1 1 1    5    0   64 o   73.365   18.613   17.852   8.2533   17.852   8.2533   17.852   8.2533   73.365   26.323   73.365   26.323 -0.000000 0.000000 
1 1 1    5    0   65 o   50.229   18.674   9.7209   8.2160   9.7209   8.2160   9.7209   8.2160   50.229   26.409   50.229   26.409 -0.000000 0.000000 
1 1 1    5    0   66 o   29.325   13.897  -1.7432   7.5265  -1.7432   7.5265  -1.7432   7.5265   29.325   19.654   29.325   19.654 -0.000000 0.000000 
1 1 1    5    0   67 o   25.948   12.980  -9.4695   9.1221  -9.4695   9.1221  -9.4695   9.1221   25.948   18.356   25.948   18.356 -0.000000 0.000000 
1 1 1    5    0   68 o  108.714   15.293   33.098   9.7583   33.098   9.7583   33.098   9.7583  108.714   21.628  108.714   21.628 -0.000000 0.000000 
1 1 1    5    0   69 o   28.074   13.752  -4.9245   8.7953  -4.9245   8.7953  -4.9245   8.7953   28.074   19.448   28.074   19.448 -0.000000 0.000000 
1 1 1    5    0   70 o   64.999   22.662   19.536   11.652   19.536   11.652   19.536   11.652   64.999   32.048   64.999   32.048 -0.000000 0.000000 
1 1 1    5    0   71 f   46.524   18.131   9.5025   8.0934   9.5025   8.0934   9.5025   8.0934   46.524   25.641   46.524   25.641 -0.000000 0.000000 
1 1 1    5    0   72 o   27.685   13.197  -0.9462   6.9766  -0.9462   6.9766  -0.9462   6.9766   27.685   18.664   27.685   18.664 -0.000000 0.000000 
1 1 1    5    1    0 o  461.088   17.765  503.835   53.772  503.835   53.772  503.835   53.772  461.088   25.124  461.088   25.124 -0.000000 0.000000 
1 1 1    5    1    1 o  306.098   12.080  220.085   17.275  226.794   24.433  213.378   24.429  310.787   16.822  301.409   17.343 9.378021 24.16061 
1 1 1    5    1    2 o  914.605   33.850  2033.40  144.541  1931.21  204.411  2135.59  204.413  890.698   49.106  938.512   46.604 -47.81421 67.70024 
1 1 1    5    1    3 o  168.676   7.2555   66.614   5.7189   65.449   8.0865   67.779   8.0891  167.199   10.349  170.154   10.172 -2.955063 14.51103 
1 1 1    5    1    4 o  550.024   20.466  718.128   52.591  738.929   74.375  697.329   74.373  558.116   28.514  541.933   29.365 16.18317 40.93119 
1 1 1    5    1    5 o  315.362   12.258  233.768   18.066  233.163   25.548  234.373   25.550  314.952   17.357  315.773   17.313 -0.8208008 24.51552 
1 1 1    5    1    6 o  178.765   8.7275   75.076   7.2669   67.931   10.269   82.243   10.285  170.201   12.910  187.330   11.748 -17.12953 17.45491 
1 1 1    5    1    7 o  241.404   11.151  136.954   12.580  137.751   17.789  136.158   17.794  242.111   15.721  240.698   15.818 1.412521 22.30159 
1 1 1    5    1    8 o  168.949   14.925   75.037   9.2919   56.391   18.572   81.263   10.732  151.770   27.182  186.129   12.337 -34.35902 29.85028 
1 1 1    5    1    9 o  233.264   16.509  128.000   17.017  132.171   29.489  125.918   20.836  235.554   26.787  230.973   19.302 4.581116 33.01713 
1 1 1    5    1   10 o   68.080   15.909   11.344   4.9708   11.344   4.9708   0.0000   0.0000   68.080   15.909  ?   ?       ?      ? 
1 1 1    5    1   12 o  203.337   24.753   98.305   23.522   98.305   23.522   0.0000   0.0000  203.337   24.753  ?   ?       ?      ? 
1 1 1    5    1   13 o  375.584   23.893  326.379   40.156  387.537   69.580  295.838   49.170  399.670   37.251  351.499   29.932 48.17035 47.78678 
1 1 1    5    1   14 o  492.074   26.165  600.907   57.612  793.544   81.506  408.559   81.445  575.770   30.290  408.377   42.674 167.3934 52.33075 
1 1 1    5    1   15 o  441.655   24.155  470.955   49.830  488.312   70.474  453.602   70.468  450.063   33.505  433.248   34.803 16.81476 48.30956 
1 1 1    5    1   16 o  205.229   14.612   96.829   13.376  109.938   23.188   90.292   16.375  214.957   23.082  195.500   17.923 19.45645 29.22348 
1 1 1    5    1   17 o  151.956   10.169   54.337   7.2210   53.622   10.209   55.052   10.215  150.950   14.471  152.963   14.290 -2.012985 20.33729 
1 1 1    5    1   18 o  125.503   9.2010   36.981   5.3966   37.258   7.6243   36.703   7.6394  125.976   12.950  125.029   13.074 0.9469528 18.40198 
1 1 1    5    1   19 o  211.763   14.542  102.292   13.760  118.285   23.839   94.302   16.851  223.480   22.825  200.046   18.024 23.43460 29.08324 
1 1 1    5    1   20 o  334.630   21.744  258.965   32.497  239.173   39.795  298.579   56.301  317.021   26.860  352.239   34.201 -35.21735 43.48726 
1 1 1    5    1   21 o  205.613   12.550  100.514   11.849   79.003   16.732  122.152   16.782  183.163   19.547  228.063   15.745 -44.89989 25.09946 
1 1 1    5    1   22 o  228.441   13.416  124.198   14.032   95.478   19.801  153.165   19.886  201.427   21.035  255.454   16.657 -54.02759 26.83104 
1 1 1    5    1   23 o   97.653   9.0732   22.495   4.1048   25.611   5.7615   19.284   5.8495  104.587   11.787   90.720   13.797 13.86670 18.14646 
1 1 1    5    1   24 o  651.426   34.727  1027.79  105.098  902.747  148.615  1152.89  148.647  610.346   52.101  692.506   45.929 -82.15918 69.45481 
1 1 1    5    1   25 o  434.823   20.680  447.091   41.160  447.490   53.131  446.492   65.090  435.579   26.100  434.068   32.086 1.511444 41.36060 
1 1 1    5    1   26 o  585.687   26.710  800.924   72.107  723.132   93.069  917.744  114.050  551.318   36.121  620.057   39.357 -68.73926 53.42001 
1 1 1    5    1   27 o  318.827   17.079  239.761   25.410  254.286   35.885  225.154   35.986  328.607   23.366  309.048   24.915 19.55896 34.15782 
1 1 1    5    1   28 o  791.571   39.913  1402.36  141.281  1057.79  172.960  2093.25  244.915  657.915   56.252  925.227   56.640 -267.3120 79.82694 
1 1 1    5    1   29 o   86.043   19.418   18.082   7.6230   18.082   7.6230   0.0000   0.0000   86.043   19.418  ?   ?       ?      ? 
1 1 1    5    1   30 o  374.400   25.025  334.106   41.221  333.768   50.454  334.784   71.484  375.396   28.758  373.405   40.962 1.991455 50.04950 
1 1 1    5    1   31 o  261.694   13.876  161.505   16.605  162.444   21.420  160.091   26.287  262.860   17.436  260.529   21.589 2.331635 27.75129 
1 1 1    5    1   32 o  1032.43   47.661  2726.81  229.858  2814.94  325.075  2638.69  325.062  1050.69   66.201  1014.17   68.583 36.52454 95.32145 
1 1 1    5    1   33 o  505.860   21.485  610.250   50.792  614.746   71.813  605.751   71.848  507.765   30.262  503.955   30.506 3.809845 42.96954 
1 1 1    5    1   34 o  131.387   8.8998   40.536   5.4558   37.952   7.7280   43.105   7.7035  127.190   13.001  135.584   12.157 -8.394287 17.79954 
1 1 1    5    1   35 o  401.110   17.159  381.380   32.162  374.423   45.458  388.352   45.510  397.398   24.476  404.822   24.055 -7.423737 34.31786 
1 1 1    5    1   36 o  284.264   13.385  190.703   17.783  189.534   25.135  191.874   25.162  283.384   18.978  285.143   18.881 -1.758423 26.77095 
1 1 1    5    1   37 f   70.763   12.367   11.007   4.2764   19.894   6.8144   5.2330   5.4926   90.513   16.725   51.013   18.222 39.49986 24.73377 
1 1 1    5    1   38 f  260.078   14.387  159.973   17.142  158.557   22.116  162.104   27.129  258.995   18.272  261.161   22.227 -2.166290 28.77303 
1 1 1    5    1   39 o   93.312   12.587   22.333   5.1175   26.037   6.5258   16.419   8.2469  105.130   13.282   81.494   21.385 23.63614 25.17381 
1 1 1    5    1   40 o  157.777   11.619   59.180   8.5074   51.081   12.008   67.342   12.054  146.755   17.508  168.799   15.280 -22.04434 23.23859 
1 1 1    5    1   41 o   73.361   12.777   13.214   4.2687   13.452   6.8871   13.065   5.4396   73.852   19.621   72.870   16.372 0.9813385 25.55425 
1 1 1    5    1   42 o  268.427   12.763  171.912   15.942  154.305   22.603  189.342   22.489  254.450   19.007  282.404   17.039 -27.95329 25.52675 
1 1 1    5    1   43 o  103.084   10.013   25.155   4.8210   24.799   6.9034   25.494   6.7357  102.347   14.433  103.821   13.882 -1.474281 20.02523 
1 1 1    5    1   44 o  147.327   11.792   51.797   8.1085   48.552   11.427   55.088   11.508  142.591   17.147  152.063   16.193 -9.471802 23.58478 
1 1 1    5    1   45 o   68.762   17.651   9.8712   7.4065   6.3703   11.463   12.380   9.7040   64.810   25.603   72.715   24.305 -7.905708 35.30167 
1 1 1    5    1   46 o   49.452   12.806   4.3052   4.0759   7.5037   5.6384   0.8045   5.8987   56.725   18.507   42.179   17.706 14.54596 25.61298 
1 1 1    5    1   47 o  205.074   13.204  101.433   12.653  103.760   17.896   99.107   17.891  207.500   18.454  202.647   18.891 4.852676 26.40857 
1 1 1    5    1   48 o  162.551   9.7138   62.947   7.3787   63.933   10.431   61.960   10.439  163.851   13.621  161.251   13.853 2.600677 19.42763 
1 1 1    5    1   49 o   72.371   14.748   10.481   4.7356   7.4746   5.4151   20.254   9.7638   56.064   18.127   88.678   23.268 -32.61404 29.49517 
1 1 1    5    1   50 o  107.376   11.455   26.685   5.6148   22.807   7.0720   33.300   9.2352   97.377   15.540  117.375   16.836 -19.99785 22.91098 
1 1 1    5    1   51 o   57.583   13.201   6.8130   4.1483   3.4866   5.2789   12.184   6.7077   45.562   17.553   69.603   19.721 -24.04054 26.40132 
1 1 1    5    1   52 o  107.081   11.334   27.308   5.6067   24.915   7.2878   30.780   8.7760  101.582   15.351  112.580   16.680 -10.99884 22.66872 
1 1 1    5    1   53 o   63.203   14.285   9.8379   4.7806   8.8499   6.8453   10.778   6.6794   60.864   20.413   65.543   19.989 -4.678986 28.56973 
1 1 1    5    1   54 o  101.646   12.849   25.980   5.8403   27.285   7.6527   24.159   9.0381  106.206   15.418   97.086   20.560 9.120461 25.69831 
1 1 1    5    1   55 o   37.151   11.693  -4.0418   4.2651  -8.5421   5.6584   1.8796   6.4906   28.869   13.935   45.434   18.782 -16.56511 23.38698 
1 1 1    5    1   56 o   45.520   13.411   1.5482   4.7505   2.8556   6.8111   0.3096   6.6291   47.950   19.463   43.090   18.454 4.860146 26.82128 
1 1 1    5    1   57 o   82.998   14.468   19.063   5.7570   11.169   9.8237   23.192   7.1049   68.464   24.378   97.533   15.587 -29.06876 28.93503 
1 1 1    5    1   58 o  113.035   11.111   31.200   5.8593   30.625   8.4858   31.724   8.1003  111.880   16.229  114.190   15.178 -2.310654 22.22109 
1 1 1    5    1   59 o   65.515   17.180   9.7521   7.3118   1.4403   12.796   13.782   8.9097   58.370   25.322   72.660   23.226 -14.28971 34.36074 
1 1 1    5    1   60 o  115.585   30.311   38.872   16.576   0.0000   0.0000   38.872   16.576  ?   ?   115.585   30.311      ?      ? 
1 1 1    5    1   61 o  108.783   20.676   33.288   10.552   28.085   13.438   41.655   17.041   98.862   27.879  118.704   30.541 -19.84167 41.35179 
1 1 1    5    1   62 o   58.705   16.608   6.4504   6.8608   6.3102   10.464   6.5561   9.0863   59.567   24.144   57.843   22.812 1.723625 33.21592 
1 1 1    5    1   63 o   94.048   14.905   24.213   6.5523   29.147   8.8960   18.363   9.6871  107.058   17.780   81.039   23.927 26.01852 29.81001 
1 1 1    5    1   64 o   86.227   14.649   21.815   6.6691   7.7268   10.213   32.288   8.8058   60.073   24.026  112.380   16.766 -52.30651 29.29750 
1 1 1    5    1   65 o   42.985   14.106  -6.8527   7.0591 -14.8203   10.604  -0.5123   9.4596   38.338   18.640   47.632   21.176 -9.294281 28.21113 
1 1 1    5    1   66 o   31.958   15.401  -8.6976   6.8449  -8.6976   6.8449   0.0000   0.0000   31.958   15.401  ?   ?       ?      ? 
1 1 1    5    1   67 o  113.632   18.077   40.131   9.2005   39.881   11.781   40.521   14.730  116.729   22.411  110.535   28.371 6.194046 36.15449 
1 1 1    5    1   68 o   56.644   15.560   7.9809   5.8461   6.6780   7.6828   9.7731   9.0103   53.277   20.987   60.011   22.978 -6.733257 31.12038 
1 1 1    5    1   69 o   49.525   15.463   0.8868   7.2810  -6.4593   9.7941   9.9622   10.886   40.058   19.066   58.993   24.350 -18.93475 30.92645 
1 1 1    5    1   70 o   47.212   14.474   3.2163   6.1888   7.2260   7.9841  -2.8195   9.7958   52.042   21.091   42.383   19.830 9.658924 28.94897 
1 1 1    5    1   71 o   69.998   23.959   17.343   9.4324   0.0000   0.0000   17.343   9.4324  ?   ?    69.998   23.959      ?      ? 
1 1 1    5    1   72 o   67.171   18.701   19.800   8.6351   20.063   10.744   19.320   14.511   69.941   25.419   64.402   27.435 5.539589 37.40123 
1 1 1    5    2    0 o  733.031   27.572  1283.29  132.720  1283.29  132.720  1283.29  132.720  733.031   38.993  733.031   38.993 -0.000000 0.000000 
1 1 1    5    2    1 o  246.622   10.549  142.191   12.053  146.492   18.411  138.965   15.946  249.816   15.770  243.428   14.016 6.387299 21.09815 
1 1 1    5    2    2 o  332.156   13.106  259.482   20.342  264.551   28.768  254.414   28.768  335.421   18.352  328.891   18.716 6.530396 26.21209 
1 1 1    5    2    3 o  236.743   10.348  130.104   11.370  120.230   15.035  143.293   17.377  226.392   14.211  247.095   15.047 -20.70361 20.69689 
1 1 1    5    2    4 o  174.978   7.3164   71.737   5.9779   75.170   8.4559   68.307   8.4523  179.174   10.098  170.782   10.590 8.392242 14.63275 
1 1 1    5    2    5 o   67.231   5.0154   10.575   1.5757   10.771   2.2274   10.378   2.2292   67.857   7.0236   66.605   7.1616 1.252693 10.03086 
1 1 1    5    2    6 f  178.781   9.9919   74.997   8.1840   75.184   12.925   74.872   10.574  178.887   15.460  178.675   12.662 0.2118835 19.98374 
1 1 1    5    2    7 o  181.914   9.1514   77.961   7.7331   87.760   10.932   68.147   10.941  193.449   12.092  170.379   13.740 23.07053 18.30276 
1 1 1    5    2    8 o  380.399   22.209  330.177   34.894  383.789   69.797  312.312   40.291  397.915   37.532  362.884   23.757 35.03122 44.41896 
1 1 1    5    2    9 o  307.235   24.762  228.276   35.509  215.386   50.212  241.173   50.224  298.256   36.023  316.213   33.985 -17.95682 49.52379 
1 1 1    5    2   10 o  350.471   39.817  300.192   65.217  300.192   65.217   0.0000   0.0000  350.471   39.817  ?   ?       ?      ? 
1 1 1    5    2   11 o  212.621   17.817  106.607   17.705  106.607   17.705   0.0000   0.0000  212.621   17.817  ?   ?       ?      ? 
1 1 1    5    2   12 o  312.129   25.202  235.844   36.757  240.719   51.980  230.968   51.983  315.471   35.256  308.786   36.022 6.684723 50.40383 
1 1 1    5    2   13 o  237.333   16.835  132.675   17.648  136.542   30.585  130.745   21.608  239.341   27.343  235.326   19.647 4.015091 33.66934 
1 1 1    5    2   14 o  310.948   17.471  229.976   25.331  247.768   35.830  212.196   35.817  323.186   23.722  298.710   25.657 24.47620 34.94297 
1 1 1    5    2   15 o  150.724   10.187   53.615   7.1347   60.187   10.089   47.042   10.091  160.055   13.488  141.394   15.270 18.66093 20.37437 
1 1 1    5    2   16 o  256.262   12.431  152.366   14.676  139.845   18.935  171.205   23.227  243.454   16.642  269.070   18.470 -25.61693 24.86189 
1 1 1    5    2   17 o  279.118   14.655  183.566   18.770  179.434   24.219  189.780   29.699  275.543   18.807  282.694   22.480 -7.151031 29.30960 
1 1 1    5    2   18 o  128.310   9.4147   38.871   5.5953   32.887   7.9035   44.884   7.9225  118.308   14.294  138.313   12.256 -20.00510 18.82934 
1 1 1    5    2   19 o  316.045   19.876  231.582   25.706  224.689   29.677  252.296   51.443  308.377   20.592  323.712   34.004 -15.33551 39.75251 
1 1 1    5    2   20 o  165.365   13.181   64.195   9.5964   63.703   11.727   65.193   16.697  164.641   15.240  166.089   21.511 -1.447327 26.36291 
1 1 1    5    2   21 o  194.715   11.824   89.066   10.756   86.049   15.171   92.114   15.251  191.386   16.961  198.045   16.477 -6.659058 23.64729 
1 1 1    5    2   22 o  516.853   26.187  643.730   61.584  668.186   79.499  607.035   97.382  530.583   32.060  503.123   41.416 27.45981 52.37474 
1 1 1    5    2   23 o  211.156   12.694  104.893   12.481   94.339   17.624  115.508   17.676  200.432   18.815  221.881   17.046 -21.44870 25.38834 
1 1 1    5    2   24 o  587.217   29.941  828.348   81.691  727.815  115.506  928.957  115.550  550.573   44.890  623.861   39.631 -73.28748 59.88101 
1 1 1    5    2   25 o  233.942   14.031  128.843   15.296  117.893   21.667  139.723   21.598  223.956   20.701  243.927   18.946 -19.97028 28.06151 
1 1 1    5    2   26 o  332.882   16.564  267.552   24.841  290.899   32.065  232.504   39.287  351.897   19.497  313.866   26.783 38.03009 33.12787 
1 1 1    5    2   27 o  351.099   19.156  291.342   31.387  309.148   44.386  273.534   44.389  361.951   26.239  340.246   27.915 21.70499 38.31131 
1 1 1    5    2   28 o  750.400   60.910  1464.01  211.134  1231.92  298.541  1696.25  298.637  684.211   93.362  816.588   78.252 -132.3765 121.8192 
1 1 1    5    2   29 o  454.414   50.200  500.274  106.610  500.274  106.610   0.0000   0.0000  454.414   50.200  ?   ?       ?      ? 
1 1 1    5    2   30 o  653.650   43.213  1056.89  124.374  1045.03  152.317  1080.62  215.449  654.857   49.769  652.443   70.658 2.414551 86.42602 
1 1 1    5    2   31 o  221.910   15.749  118.940   13.965  121.613   16.133  110.949   27.897  227.597   15.167  216.223   27.606 11.37422 31.49838 
1 1 1    5    2   32 o  327.881   21.388  249.732   28.658  243.243   33.086  269.224   57.342  321.007   22.054  334.755   36.653 -13.74835 42.77617 
1 1 1    5    2   33 o  328.669   21.695  264.940   28.333  271.970   32.707  243.803   56.711  339.529   20.612  317.809   38.182 21.72061 43.39066 
1 1 1    5    2   34 o  377.536   22.969  336.475   35.253  331.569   40.713  351.177   70.478  374.325   23.272  380.748   39.607 -6.422607 45.93838 
1 1 1    5    2   35 o  293.985   14.196  201.678   19.174  192.135   24.684  216.196   30.445  285.535   18.497  302.434   21.540 -16.89871 28.39212 
1 1 1    5    2   36 o  602.921   26.289  882.685   74.024  919.086  104.685  846.284  104.685  615.839   36.373  590.003   37.966 25.83698 52.57715 
1 1 1    5    2   37 o  194.811   11.134   88.724   9.8916   86.752   12.609   91.878   15.950  192.152   14.041  197.470   17.283 -5.318130 22.26764 
1 1 1    5    2   38 f  185.482   11.407   80.821   9.7010   79.445   12.511   82.896   15.363  183.671   14.575  187.293   17.551 -3.621933 22.81366 
1 1 1    5    2   39 o  397.770   20.732  386.618   37.607  394.864   48.544  374.242   59.472  404.901   25.654  390.638   32.576 14.26324 41.46450 
1 1 1    5    2   40 o  222.469   12.425  114.485   12.730  135.179   20.223  100.904   16.384  238.597   18.136  206.342   16.989 32.25508 24.85055 
1 1 1    5    2   41 o  248.993   13.803  147.506   15.744  148.716   24.888  146.699   20.328  249.373   21.355  248.613   17.496 0.7602692 27.60671 
1 1 1    5    2   42 o  243.629   13.730  141.747   15.275  141.032   24.284  142.215   19.648  242.573   21.421  244.684   17.182 -2.111191 27.46036 
1 1 1    5    2   43 o  250.359   13.703  149.915   15.699  150.535   24.860  149.505   20.246  250.185   21.262  250.533   17.292 -0.3487549 27.40565 
1 1 1    5    2   44 o  104.728   12.789   26.751   6.0945   25.319   8.8811   28.026   8.3786  101.057   19.511  108.398   16.539 -7.340759 25.57746 
1 1 1    5    2   45 o  258.419   32.131  168.758   38.806   0.0000   0.0000  168.758   38.806  ?   ?   258.419   32.131      ?      ? 
1 1 1    5    2   46 o  274.803   20.917  191.975   25.061  182.121   43.251  196.956   30.750  265.732   34.827  283.874   23.178 -18.14172 41.83428 
1 1 1    5    2   47 o  226.792   13.170  127.252   13.466  139.637   17.496  109.254   21.092  241.775   15.484  211.809   21.307 29.96616 26.33923 
1 1 1    5    2   48 o  136.779   10.156   44.061   6.3907   48.015   10.125   41.443   8.2392  141.615   15.299  131.943   13.361 9.672287 20.31205 
1 1 1    5    2   49 o  131.320   10.472   41.648   6.2985   39.799   9.8106   42.945   8.2151  128.455   16.342  134.186   13.100 -5.730804 20.94416 
1 1 1    5    2   50 o  156.650   9.6712   58.609   7.0785   56.764   9.9337   60.512   10.089  154.118   13.792  159.183   13.562 -5.065201 19.34248 
1 1 1    5    2   51 o  101.113   11.559   24.496   5.2979   20.888   6.9652   29.447   8.1606   91.646   16.884  110.581   15.791 -18.93487 23.11754 
1 1 1    5    2   52 o  130.241   9.9002   40.747   6.0250   40.428   8.4299   41.080   8.6143  129.745   13.902  130.737   14.099 -0.9920044 19.80033 
1 1 1    5    2   53 o  188.026   12.041   87.774   10.254   78.831   16.111   93.864   13.294  178.709   19.290  197.342   14.415 -18.63324 24.08106 
1 1 1    5    2   54 o  102.218   12.782   28.260   5.6224   37.869   7.5056   15.975   8.4869  125.792   12.767   78.645   22.148 47.14679 25.56430 
1 1 1    5    2   55 o  165.614   14.003   65.057   9.5049   62.221   10.968   73.607   19.045  160.700   14.605  170.529   23.897 -9.828491 28.00674 
1 1 1    5    2   56 o  144.082   12.803   50.915   8.5866   45.016   11.791   57.577   12.529  134.988   18.690  153.176   17.502 -18.18745 25.60557 
1 1 1    5    2   57 o   99.744   14.739   27.714   7.0267   41.638   9.5083   10.961   10.430  130.734   15.562   68.754   25.036 61.98044 29.47850 
1 1 1    5    2   58 o   88.787   13.756   18.017   5.6461   11.153   7.0069   30.726   9.5341   66.259   20.519  111.316   18.326 -45.05735 27.51151 
1 1 1    5    2   59 o  169.426   13.568   72.192   10.740   74.679   15.324   69.791   15.056  172.398   19.020  166.454   19.354 5.944214 27.13525 
1 1 1    5    2   60 f  124.804   21.840   45.360   12.707   51.450   18.435   39.848   17.539  133.536   30.242  116.073   31.519 17.46320 43.68057 
1 1 1    5    2   61 o   65.208   17.465   9.3048   6.5831   8.7639   7.5838   10.958   13.259   60.302   21.425   70.115   27.587 -9.812359 34.92923 
1 1 1    5    2   62 o   60.908   15.576   6.7083   5.9666   1.0280   7.6216   15.700   9.5895   46.060   19.759   75.757   24.083 -29.69771 31.15115 
1 1 1    5    2   63 o   66.136   16.232   11.371   6.0081   11.770   7.4658   10.637   10.121   66.528   21.260   65.743   24.535 0.7846069 32.46474 
1 1 1    5    2   64 o   57.685   15.976   7.0721   6.1329   5.8030   7.8316   9.0844   9.8613   53.549   21.159   61.821   23.942 -8.272552 31.95211 
1 1 1    5    2   65 o   85.772   18.467   23.732   8.8169   10.001   16.345   29.367   10.471   69.211   29.286  102.333   22.506 -33.12199 36.93464 
1 1 1    5    2   66 o   56.236   14.768   3.6196   5.6312  -3.5035   6.9886   16.805   9.5085   37.363   17.228   75.109   23.992 -37.74586 29.53678 
1 1 1    5    2   67 o   60.183   17.753   7.9302   8.7029   12.731   10.823  -0.8529   14.640   66.054   25.210   54.313   25.004 11.74047 35.50659 
1 1 1    5    2   68 o   52.668   15.244   5.9173   6.0804   9.1703   6.7002  -9.2666   14.476   57.543   20.167   47.793   22.866 9.749813 30.48848 
1 1 1    5    2   69 o   51.402   20.360   6.7398   7.2670   6.7398   7.2670   0.0000   0.0000   51.402   20.360  ?   ?       ?      ? 
1 1 1    5    2   70 o   57.302   16.651   9.9619   7.1597   9.2208   10.756   10.551   9.5939   56.519   23.827   58.086   23.266 -1.567093 33.30258 
1 1 1    5    2   71 o   59.516   22.779   11.669   8.8519   11.669   8.8519   0.0000   0.0000   59.516   22.779  ?   ?       ?      ? 
1 1 1    5    2   72 o   54.498   17.521   7.8058   10.276  -2.9890   15.162   16.975   13.974   47.017   22.724   61.979   26.675 -14.96141 35.04183 
1 1 1    5    3    0 o  239.772   13.702  137.456   21.388  137.456   21.388  137.456   21.388  239.772   19.378  239.772   19.378 -0.000000 0.000000 
1 1 1    5    3    1 o  168.369   7.3448   66.390   5.7793   66.064   8.1724   66.716   8.1741  167.955   10.411  168.783   10.363 -0.8281708 14.68952 
1 1 1    5    3    2 o  725.240   26.894  1267.16   91.086  1212.71  128.815  1321.60  128.816  709.176   38.866  741.303   37.182 -32.12714 53.78706 
1 1 1    5    3    3 o  534.553   21.003  678.429   52.000  696.667   79.437  664.754   68.786  540.201   31.465  528.905   27.828 11.29602 42.00506 
1 1 1    5    3    4 o  727.019   32.589  1296.35  110.449  1194.60  156.195  1398.10  156.202  697.074   47.945  756.965   44.154 -59.89172 65.17889 
1 1 1    5    3    5 o   89.179   6.3343   18.649   2.6336   17.137   3.7225   20.164   3.7264   85.548   9.3107   92.811   8.5910 -7.262337 12.66868 
1 1 1    5    3    6 o  382.066   25.150  359.428   38.290  337.407   76.559  366.774   44.218  370.851   44.173  393.281   24.058 -22.43030 50.29911 
1 1 1    5    3    7 o   95.287   9.3879   21.267   4.1807   0.0000   0.0000   21.267   4.1807  ?   ?    95.287   9.3879      ?      ? 
1 1 1    5    3    8 o  337.751   24.180  282.645   35.352  254.349   61.220  296.801   43.301  322.518   40.616  352.985   26.248 -30.46704 48.35949 
1 1 1    5    3    9 o  192.537   14.145   86.643   12.067   84.595   14.788   90.724   20.873  189.505   16.698  195.569   22.838 -6.064117 28.29088 
1 1 1    5    3   10 o  259.044   20.936  158.790   25.346  158.790   25.346   0.0000   0.0000  259.044   20.936  ?   ?       ?      ? 
1 1 1    5    3   11 o  127.993   13.994   39.830   7.9793   49.370   11.296   30.330   11.272  144.782   16.695  111.203   22.463 33.57891 27.98766 
1 1 1    5    3   12 o  105.284   12.642   26.591   6.0658   28.840   8.5509   24.313   8.6061  110.687   16.530   99.881   19.133 10.80630 25.28487 
1 1 1    5    3   13 o  265.094   15.162  166.466   18.738  152.965   26.473  180.022   26.526  254.178   22.286  276.010   20.564 -21.83231 30.32366 
1 1 1    5    3   14 o  118.833   7.3191   31.734   3.9676   24.081   5.0934   43.543   6.3273  101.350   10.753  136.316   9.9319 -34.96574 14.63813 
1 1 1    5    3   15 o  351.299   17.806  301.465   28.203  326.004   36.409  264.652   44.594  370.722   21.014  331.876   28.751 38.84653 35.61241 
1 1 1    5    3   16 o  103.522   7.6820   24.974   3.6448   24.311   4.6858   25.991   5.7995  101.830   9.8462  105.215   11.794 -3.385384 15.36395 
1 1 1    5    3   17 f  176.756   10.325   73.057   8.3728   71.459   10.799   75.465   13.258  174.440   13.246  179.072   15.841 -4.632004 20.64974 
1 1 1    5    3   18 o  203.099   11.596   98.456   10.691  103.593   13.795   90.734   16.915  210.013   14.055  196.184   18.449 13.82846 23.19297 
1 1 1    5    3   19 f  286.386   14.471  196.086   18.838  204.849   24.312  182.921   29.799  294.887   17.641  277.885   22.946 17.00223 28.94295 
1 1 1    5    3   20 o  202.322   11.255   99.103   10.225  109.224   13.203   83.937   16.162  215.799   13.091  188.844   18.312 26.95496 22.51052 
1 1 1    5    3   21 o  707.203   36.790  1246.62  117.365  1339.19  151.518  1107.78  185.569  745.319   43.499  669.086   59.345 76.23346 73.57949 
1 1 1    5    3   22 o  375.898   19.198  337.891   32.798  353.501   42.339  314.467   51.864  387.405   23.385  364.391   30.455 23.01505 38.39691 
1 1 1    5    3   23 o  259.145   13.886  160.140   16.332  168.952   21.089  146.935   25.816  268.370   16.815  249.921   22.102 18.44876 27.77140 
1 1 1    5    3   24 o  528.322   27.948  666.174   69.007  664.837   97.592  667.511   97.588  527.781   39.566  528.864   39.483 -1.083374 55.89588 
1 1 1    5    3   25 o  428.605   23.238  435.682   46.545  440.583   65.823  430.780   65.827  431.052   32.674  426.158   33.051 4.894531 46.47562 
1 1 1    5    3   26 o  556.244   35.053  769.778   77.273  791.492   89.225  704.622  154.559  577.567   33.055  534.922   61.825 42.64441 70.10657 
1 1 1    5    3   27 o  470.260   37.433  540.604   81.463  456.946  115.207  624.259  115.205  432.196   57.037  508.325   48.494 -76.12888 74.86540 
1 1 1    5    3   28 o  463.525   31.921  509.442   69.151  509.442   69.151   0.0000   0.0000  463.525   31.921  ?   ?       ?      ? 
1 1 1    5    3   29 o  386.258   42.863  358.279   77.375  358.279   77.375   0.0000   0.0000  386.258   42.863  ?   ?       ?      ? 
1 1 1    5    3   30 o  336.363   22.121  265.177   32.969  256.873   40.349  281.858   57.187  329.456   26.206  343.271   35.647 -13.81464 44.24297 
1 1 1    5    3   31 o  335.065   19.188  248.268   26.772  228.728   30.906  307.015   53.589  311.418   21.235  358.712   31.966 -47.29355 38.37643 
1 1 1    5    3   32 o  216.391   11.728  107.573   11.674   96.889   14.985  124.073   18.622  203.088   15.788  229.693   17.347 -26.60539 23.45600 
1 1 1    5    3   33 o  393.413   21.680  369.724   39.821  388.003   56.294  351.417   56.338  403.365   29.862  383.460   31.437 19.90549 43.35918 
1 1 1    5    3   34 o  151.705   14.254   52.200   9.5061   60.433   17.062   48.494   11.448  159.841   22.840  143.569   17.061 16.27217 28.50857 
1 1 1    5    3   35 o  264.437   15.680  166.584   19.162  138.072   27.049  195.310   27.150  241.285   23.987  287.588   20.200 -46.30258 31.35975 
1 1 1    5    3   36 f  291.920   19.780  192.860   25.848  241.271   45.052  169.104   31.560  317.226   30.388  266.613   25.328 50.61319 39.55982 
1 1 1    5    3   37 o   84.095   16.848   15.559   6.3869   21.997   12.157   13.104   7.5063   94.697   26.451   73.492   20.876 21.20452 33.69680 
1 1 1    5    3   38 o  510.957   29.189  652.157   69.670  630.862   98.547  673.436   98.509  502.036   42.002  519.878   40.544 -17.84198 58.37783 
1 1 1    5    3   39 o  121.167   15.610   42.213   7.3158   49.568   8.6295   23.419   13.794  145.089   12.726   97.245   28.507 47.84423 31.21902 
1 1 1    5    3   40 o  303.395   13.641  219.700   19.253  195.950   27.241  243.406   27.216  286.658   20.334  320.132   18.191 -33.47382 27.28277 
1 1 1    5    3   41 o  259.159   15.459  160.885   18.700  171.492   26.627  150.562   26.268  267.755   21.279  250.562   22.432 17.19260 30.91888 
1 1 1    5    3   42 o  331.595   18.837  267.445   29.182  275.973   41.369  258.999   41.171  337.039   26.263  326.151   27.010 10.88815 37.67355 
1 1 1    5    3   43 o  148.955   10.532   51.636   7.1910   57.553   11.574   47.916   9.1771  155.621   15.914  142.290   13.800 13.33134 21.06457 
1 1 1    5    3   44 o   28.585   9.8456 -10.1214   4.1500 -14.6751   6.9465  -7.5941   5.1751   29.126   14.351   28.043   13.483 1.083616 19.69120 
1 1 1    5    3   45 o  106.079   17.408   28.127   8.4361   33.296   12.800   24.157   11.217  114.646   24.624   97.512   24.612 17.13417 34.81523 
1 1 1    5    3   46 o  183.417   12.347   80.608   10.566   87.376   15.212   74.299   14.688  190.960   17.045  175.875   17.870 15.08426 24.69497 
1 1 1    5    3   47 o   51.285   13.122   5.1964   4.3501   8.3674   5.1831  -2.3590   8.0007   58.603   17.549   43.967   19.514 14.63607 26.24444 
1 1 1    5    3   48 o  204.802   12.438  103.084   11.542  110.092   14.954   92.759   18.152  214.495   14.918  195.109   19.906 19.38617 24.87572 
1 1 1    5    3   49 o   63.073   13.590   9.9283   4.4319   11.712   5.8165   7.4595   6.8431   68.220   17.987   57.925   20.376 10.29472 27.17935 
1 1 1    5    3   50 o  301.351   16.004  224.982   22.033  225.086   28.390  224.825   34.937  303.294   20.029  299.407   24.968 3.887054 32.00872 
1 1 1    5    3   51 o  168.565   11.291   67.475   8.6938   63.769   11.050   73.494   14.084  163.046   14.502  174.084   17.311 -11.03815 22.58252 
1 1 1    5    3   52 o  185.999   11.354   80.517   9.6644   64.164   12.355  106.297   15.513  162.563   16.262  209.434   15.849 -46.87096 22.70785 
1 1 1    5    3   53 o   64.192   16.110   8.8328   5.3227   8.3262   6.0386   10.597   11.270   58.737   19.152   69.648   25.910 -10.91129 32.22038 
1 1 1    5    3   54 o  285.699   19.097  197.792   22.449  183.253   25.855  242.329   45.253  271.794   20.354  299.605   32.319 -27.81116 38.19459 
1 1 1    5    3   55 o  200.692   13.879   99.954   12.724   75.586   17.698  126.030   18.307  173.982   21.765  227.402   17.226 -53.41922 27.75726 
1 1 1    5    3   56 o   42.419   13.097  -2.9703   5.0401  -7.5221   6.5403   3.6851   7.9085   32.945   15.651   51.892   21.004 -18.94737 26.19455 
1 1 1    5    3   57 o  146.786   12.866   53.374   8.7094   43.232   12.139   64.133   12.503  131.674   19.726  161.899   16.524 -30.22551 25.73280 
1 1 1    5    3   58 o   81.217   14.906   17.785   6.0676   24.547   8.2026   9.6145   9.0168   97.996   18.590   64.437   23.307 33.55910 29.81263 
1 1 1    5    3   59 o   50.537   14.444   1.4024   5.9163   8.7065   8.0326  -7.2583   8.7469   61.123   22.014   39.951   18.707 21.17255 28.88857 
1 1 1    5    3   60 o   66.386   19.420   7.0958   9.8740   9.3394   13.594   4.5902   14.366   68.733   27.637   64.038   27.289 4.695244 38.83982 
1 1 1    5    3   61 o  121.089   18.371   45.487   9.7102   53.550   11.719   27.827   17.344  146.179   17.154   95.998   32.491 50.18022 36.74161 
1 1 1    5    3   62 o  142.213   12.481   51.019   8.1821   50.350   10.714   51.955   12.673  141.980   16.147  142.446   19.037 -0.4662628 24.96274 
1 1 1    5    3   63 f   84.652   15.554   20.357   6.2397   23.006   7.9687   16.160   10.032   93.214   18.938   76.090   24.679 17.12338 31.10805 
1 1 1    5    3   64 o   84.922   14.287   22.920   6.6372   32.690   8.1338   3.4524   11.482  113.841   15.288   56.003   24.141 57.83740 28.57466 
1 1 1    5    3   65 o   72.662   17.545   10.215   7.4761   1.6959   9.0737   28.222   13.193   49.467   21.392   95.857   27.815 -46.39042 35.08976 
1 1 1    5    3   66 o   67.822   15.174   1.8562   6.2714  -8.7457   7.2763   32.484   12.367   33.118   15.940  102.525   25.824 -69.40670 30.34771 
1 1 1    5    3   67 o   48.925   15.661  -0.0921   6.2876  -1.2209   7.0704   4.1752   13.747   40.038   18.015   57.813   25.623 -17.77522 31.32212 
1 1 1    5    3   68 o   59.606   16.716   9.7834   6.7852   11.654   7.6968   3.2594   14.373   62.874   21.638   56.338   25.486 6.535656 33.43233 
1 1 1    5    3   69 o   37.471   17.195  -1.9460   6.8490  -1.9460   6.8490   0.0000   0.0000   37.471   17.195  ?   ?       ?      ? 
1 1 1    5    3   70 o   73.573   15.724   17.078   6.8237   5.7662   9.3211   30.141   10.017   50.837   21.831   96.310   22.636 -45.47289 31.44809 
1 1 1    5    3   71 o   34.101   11.683  -9.6021   5.8788 -15.9724   8.5765  -3.9563   8.0740   30.621   15.236   37.582   17.715 -6.961245 23.36573 
1 1 1    5    3   72 o   39.173   13.135  -5.0799   6.6564   2.2186   9.3332 -12.6353   9.4960   44.632   20.326   33.714   16.643 10.91737 26.27014 
1 1 1    5    4    0 o  662.541   29.084  1058.11  126.233  1058.11  126.233  1058.11  126.233  662.541   41.131  662.541   41.131 -0.000000 0.000000 
1 1 1    5    4    1 o   74.382   7.1116   13.183   2.3895   13.925   3.0637   12.030   3.8181   77.128   8.4994   71.636   11.404 5.491013 14.22322 
1 1 1    5    4    2 o  247.013   12.847  142.338   14.588  136.344   18.823  151.352   23.083  240.718   16.731  253.308   19.499 -12.59039 25.69307 
1 1 1    5    4    3 o  429.168   18.360  449.886   35.424  386.194   55.996  492.380   45.739  401.984   29.806  456.352   21.446 -54.36795 36.71981 
1 1 1    5    4    4 o   67.705   7.5902   10.744   2.4015   10.742   3.3762   10.747   3.4167   67.698   10.671   67.713   10.797 -0.1419067E-01 15.18031 
1 1 1    5    4    5 o  551.380   27.256  756.399   67.665  662.124  106.976  819.272   87.361  518.732   44.126  584.027   32.007 -65.29407 54.51210 
1 1 1    5    4    6 o  374.845   25.134  345.682   41.026  323.080   71.045  356.989   50.252  363.005   41.877  386.685   27.807 -23.68069 50.26848 
1 1 1    5    4    7 o   85.811   9.3002   16.738   3.5702   19.184   6.1616   15.501   4.3805   90.330   14.596   81.291   11.530 9.038528 18.60031 
1 1 1    5    4    8 o  119.257   8.6488   33.402   4.8129   35.706   6.8291   31.128   6.7840  123.363   11.845  115.151   12.606 8.211685 17.29769 
1 1 1    5    4    9 o  509.524   35.934  656.349   79.946  666.721   97.924  635.619  138.444  522.228   40.122  496.820   59.626 25.40790 71.86787 
1 1 1    5    4   10 o   85.904   10.376   17.912   3.7873   18.398   4.6306   16.931   6.5823   88.575   11.186   83.232   17.478 5.343231 20.75120 
1 1 1    5    4   11 o  283.624   19.771  181.954   25.147  159.078   30.770  227.968   43.640  258.675   25.452  308.572   30.261 -49.89645 39.54165 
1 1 1    5    4   12 o  173.082   11.373   70.558   9.1872   74.538   12.968   66.547   13.018  178.024   15.586  168.141   16.566 9.883209 22.74567 
1 1 1    5    4   13 o  593.654   36.953  845.937   98.310  1039.66  170.320  749.148  120.391  638.039   57.118  549.269   46.899 88.76947 73.90543 
1 1 1    5    4   14 o  425.120   23.650  438.529   46.955  420.061   66.402  457.001   66.407  415.824   34.169  434.415   32.709 -18.59137 47.30088 
1 1 1    5    4   15 o  542.456   28.440  727.853   70.446  735.592   90.940  716.240  111.397  549.289   35.425  535.624   44.501 13.66486 56.87953 
1 1 1    5    4   16 o  229.766   13.376  124.750   14.346  132.074   20.304  117.449   20.271  236.574   18.365  222.958   19.454 13.61569 26.75282 
1 1 1    5    4   17 o   48.803   7.8535   5.5400   1.7076   4.6880   2.1389   7.0373   2.8355   43.853   10.562   53.754   11.625 -9.900768 15.70694 
1 1 1    5    4   18 o  327.847   15.902  251.391   23.987  237.782   30.955  271.844   37.948  317.175   20.883  338.518   23.987 -21.34299 31.80336 
1 1 1    5    4   19 o  272.376   14.302  176.105   17.769  180.330   22.930  169.753   28.113  276.789   17.726  267.964   22.448 8.824982 28.60335 
1 1 1    5    4   20 o  448.920   21.990  471.802   45.462  439.280   58.679  520.635   71.903  430.318   29.178  467.523   32.908 -37.20499 43.98061 
1 1 1    5    4   21 o  771.031   42.168  1464.71  151.771  1387.48  214.635  1541.95  214.639  749.598   61.267  792.464   57.955 -42.86572 84.33514 
1 1 1    5    4   22 o  534.837   27.839  683.212   69.533  713.685   98.343  652.750   98.325  547.025   38.467  522.649   40.254 24.37592 55.67898 
1 1 1    5    4   23 o  746.092   35.304  1333.43  121.029  1283.84  156.236  1407.86  191.386  730.865   45.741  761.320   53.790 -30.45422 70.60848 
1 1 1    5    4   24 f  319.997   21.639  239.036   30.712  232.084   37.638  252.885   53.127  313.733   25.670  326.261   34.842 -12.52802 43.27740 
1 1 1    5    4   25 o  263.039   14.564  163.014   17.831  180.463   25.275  145.723   25.159  277.165   19.512  248.912   21.628 28.25282 29.12877 
1 1 1    5    4   26 o  230.605   16.866  125.528   17.141  124.495   29.588  126.050   21.030  229.577   27.577  231.633   19.426 -2.056061 33.73217 
1 1 1    5    4   27 o  305.796   18.984  208.561   26.026  180.708   31.809  264.966   45.266  276.879   24.582  334.713   28.937 -57.83359 37.96878 
1 1 1    5    4   28 o  422.753   46.699  430.818   92.265  430.818   92.265   0.0000   0.0000  422.753   46.699  ?   ?       ?      ? 
1 1 1    5    4   29 f  255.977   20.975  154.218   25.093  154.218   25.093   0.0000   0.0000  255.977   20.975  ?   ?       ?      ? 
1 1 1    5    4   30 o  635.227   35.848  994.259  105.857  1106.69  149.696  881.800  149.713  673.105   47.586  597.348   53.628 75.75690 71.69669 
1 1 1    5    4   31 o  351.678   19.747  309.851   30.527  361.418   39.420  232.585   48.252  391.394   21.550  311.961   33.096 79.43298 39.49362 
1 1 1    5    4   32 o  632.164   42.698  1028.77  106.741  1050.43  123.265  963.831  213.427  658.933   40.027  605.395   75.434 53.53821 85.39606 
1 1 1    5    4   33 o  389.643   17.539  347.458   31.351  276.362   40.458  454.319   49.600  341.346   25.361  437.941   24.234 -96.59464 35.07788 
1 1 1    5    4   34 o  278.857   19.846  182.552   24.403  193.007   42.692  177.479   29.740  283.891   32.178  273.823   23.240 10.06750 39.69241 
1 1 1    5    4   35 o  237.258   11.944  131.871   13.016  128.920   16.827  136.266   20.538  234.128   15.378  240.387   18.281 -6.259155 23.88900 
1 1 1    5    4   36 o  189.277   17.932   84.460   15.862   84.460   15.862   0.0000   0.0000  189.277   17.932  ?   ?       ?      ? 
1 1 1    5    4   37 o  529.312   35.279  715.246   74.189  725.266   85.668  685.190  148.367  547.470   33.482  511.155   62.107 36.31519 70.55752 
1 1 1    5    4   38 o  287.832   22.036  212.210   27.005  231.792   33.135  173.472   46.604  311.399   22.768  264.264   37.735 47.13535 44.07199 
1 1 1    5    4   39 o  345.527   23.599  284.796   36.339  264.693   44.467  325.220   63.055  329.990   28.833  361.065   37.367 -31.07498 47.19802 
1 1 1    5    4   40 o  414.454   27.956  417.694   51.702  383.870   63.285  485.580   89.655  393.790   34.387  435.118   44.088 -41.32803 55.91275 
1 1 1    5    4   41 o  233.314   24.965  159.600   22.172  194.957   27.098   87.991   38.564  285.711   20.294  180.917   45.620 104.7937 49.93010 
1 1 1    5    4   42 o  208.633   15.702  100.525   14.682   90.876   18.007  119.657   25.356  194.927   19.767  222.340   24.402 -27.41281 31.40359 
1 1 1    5    4   43 o  156.621   12.579   59.165   9.0729   47.972   12.863   70.249   12.800  141.395   19.465  171.846   15.938 -30.45122 25.15717 
1 1 1    5    4   44 o  102.404   15.752   25.516   6.7454   26.786   13.005   25.049   7.8896  102.354   26.852  102.453   16.477 -0.9934235E-01 31.50429 
1 1 1    5    4   45 o  241.339   22.233  147.292   25.024  140.377   35.887  153.837   34.912  235.106   32.661  247.573   30.174 -12.46652 44.46611 
1 1 1    5    4   46 o  265.845   19.975  176.955   23.356  177.137   28.676  176.597   40.254  269.138   22.798  262.552   32.806 6.585388 39.94961 
1 1 1    5    4   47 o   51.643   13.243   5.0033   4.1523   2.9516   5.4881   7.7505   6.3504   45.093   17.746   58.193   19.661 -13.10062 26.48511 
1 1 1    5    4   48 o  177.478   11.045   75.286   9.0309   73.637   11.765   77.651   14.090  175.495   14.345  179.462   16.800 -3.966385 22.09068 
1 1 1    5    4   49 o  136.141   10.510   44.356   6.6283   43.439   8.7723   45.577   10.119  134.727   13.932  137.556   15.740 -2.828415 21.02058 
1 1 1    5    4   50 o  129.954   11.277   41.906   6.5873   46.955   8.5938   34.713   10.257  140.355   13.101  119.553   18.358 20.80141 22.55328 
1 1 1    5    4   51 o   78.273   13.661   15.329   4.8946   14.156   6.3172   17.091   7.7422   74.778   18.239   81.767   20.343 -6.989044 27.32220 
1 1 1    5    4   52 o  116.630   16.937   41.881   7.8686   48.492   9.0774   21.898   15.781  142.063   13.672   91.198   30.992 50.86525 33.87391 
1 1 1    5    4   53 o   81.482   16.995   16.680   6.4638   16.029   7.6466   18.311   12.099   78.938   20.533   84.025   27.087 -5.086662 33.98979 
1 1 1    5    4   54 o  187.248   12.193   86.266   10.342   88.782   13.240   82.329   16.565  191.835   14.768  182.661   19.405 9.173828 24.38512 
1 1 1    5    4   55 o   52.832   14.158   4.4953   4.5613   2.7409   5.5171   8.2848   8.1085   44.382   17.689   61.281   22.111 -16.89917 28.31618 
1 1 1    5    4   56 o  173.637   12.026   72.966   9.6042   67.964   12.363   80.580   15.252  166.810   15.858  180.463   18.085 -13.65349 24.05284 
1 1 1    5    4   57 o   58.938   14.561   5.5569   5.4820  -1.2291   7.2295   14.738   8.4091   42.514   18.724   75.362   22.305 -32.84813 29.12215 
1 1 1    5    4   58 o   42.812   12.703  -3.0710   5.2112   6.1560   6.7918 -16.2791   8.1259   54.137   20.119   31.487   15.515 22.65034 25.40648 
1 1 1    5    4   59 o   64.514   17.390   5.8739   7.1794   17.417   12.679   0.4257   8.7105   80.647   27.771   48.382   20.941 32.26531 34.78099 
1 1 1    5    4   60 o   93.082   20.558   24.686   9.9902   20.778   13.816   28.970   14.463   86.075   28.999  100.088   29.147 -14.01322 41.11582 
1 1 1    5    4   61 o  112.799   18.063   34.942   8.7581   34.675   10.385   35.601   16.299  116.625   19.053  108.973   30.694 7.652161 36.12691 
1 1 1    5    4   62 f  108.087   15.019   31.733   7.4818   15.865   10.318   49.328   10.865   75.954   25.048  140.220   16.580 -64.26589 30.03845 
1 1 1    5    4   63 o   82.184   16.334   18.203   6.9251   10.256   9.3436   27.889   10.315   64.045   23.638  100.323   22.550 -36.27776 32.66886 
1 1 1    5    4   64 f   76.170   15.448   17.006   5.8815   19.555   7.2194   11.977   10.142   85.297   18.632   67.042   24.646 18.25541 30.89601 
1 1 1    5    4   65 o   91.718   15.404   22.775   6.2750   20.490   7.7609   27.089   10.664   86.578   19.633   96.858   23.741 -10.28053 30.80736 
1 1 1    5    4   66 o   57.017   15.665   6.1524   6.4607  -0.9215   8.7797   14.507   9.5414   44.490   20.041   69.544   24.083 -25.05342 31.33079 
1 1 1    5    4   67 o   46.088   15.184  -3.5484   7.0154  -4.2571   8.1911  -1.5976   13.591   39.595   18.394   52.581   24.164 -12.98637 30.36803 
1 1 1    5    4   68 f   52.635   15.804   5.3496   6.8709   7.9922   8.5525   0.5393   11.539   55.496   22.054   49.774   22.642 5.721725 31.60702 
1 1 1    5    4   69 o   73.308   16.362   17.353   6.0983   16.112   7.6088   19.582   10.198   71.589   21.223   75.026   24.909 -3.437439 32.72479 
1 1 1    5    4   70 o   54.445   14.335   6.2537   6.0970   16.892   8.2339  -6.6607   9.0719   71.201   22.275   37.688   18.050 33.51334 28.66989 
1 1 1    5    4   71 o   51.247   15.962   6.0209   7.2966   7.8990   8.5305   0.9011   14.085   52.533   21.605   49.962   23.504 2.571068 31.92466 
1 1 1    5    5    0 o  508.686   31.247  634.195  103.232  634.195  103.232  634.195  103.232  508.686   44.190  508.686   44.190 -0.000000 0.000000 
1 1 1    5    5    1 o  275.663   22.090  180.005   28.458  180.005   28.458   0.0000   0.0000  275.663   22.090  ?   ?       ?      ? 
1 1 1    5    5    2 o  170.969   15.587   68.776   12.454   68.776   12.454   0.0000   0.0000  170.969   15.587  ?   ?       ?      ? 
1 1 1    5    5    3 o  206.112   17.272  100.120   16.638  100.120   16.638   0.0000   0.0000  206.112   17.272  ?   ?       ?      ? 
1 1 1    5    5    4 o  399.557   32.007  384.103   59.767  384.103   59.767   0.0000   0.0000  399.557   32.007  ?   ?       ?      ? 
1 1 1    5    5    5 o  307.553   19.254  223.405   27.674  223.405   27.674   0.0000   0.0000  307.553   19.254  ?   ?       ?      ? 
1 1 1    5    5    6 o  459.294   33.381  508.814   71.654  508.814   71.654   0.0000   0.0000  459.294   33.381  ?   ?       ?      ? 
1 1 1    5    5    7 f  205.577   16.980  106.839   14.757  118.374   18.070   83.743   25.570  224.120   17.252  187.033   29.252 37.08731 33.96063 
1 1 1    5    5    8 f  431.492   33.486  490.306   60.778  542.224   74.438  386.479  105.267  474.242   33.586  388.742   57.941 85.50015 66.97143 
1 1 1    5    5    9 o  215.434   17.090  115.226   15.764  124.541   19.304   96.575   27.314  229.859   17.969  201.009   29.076 28.84991 34.18063 
1 1 1    5    5   10 o  215.387   12.530  101.728   11.220   93.669   12.936  126.213   22.548  199.704   13.860  231.071   20.880 -31.36674 25.06093 
1 1 1    5    5   11 o  228.412   14.011  114.480   14.355  157.256   24.965   93.352   17.545  257.913   20.712  198.910   18.874 59.00252 28.02148 
1 1 1    5    5   12 o  259.258   16.539  159.856   19.999  148.183   28.279  171.534   28.285  249.623   24.241  268.894   22.508 -19.27109 33.07881 
1 1 1    5    5   13 o  271.181   14.193  173.680   17.648  171.334   22.784  177.200   27.904  269.248   18.107  273.114   21.861 -3.866608 28.38610 
1 1 1    5    5   14 o   61.451   7.4112   8.8903   2.0593   8.3540   2.6865   9.6543   3.2065   59.699   9.6290   63.204   11.269 -3.505482 14.82230 
1 1 1    5    5   15 o  415.055   20.301  412.686   39.276  378.983   55.550  446.378   55.540  397.683   29.888  432.428   27.482 -34.74521 40.60253 
1 1 1    5    5   16 o  221.449   15.000  114.582   13.474  113.217   15.541  118.712   27.037  219.457   15.152  223.441   25.892 -3.984482 29.99953 
1 1 1    5    5   17 o  252.518   15.080  150.797   17.796  149.406   25.187  152.183   25.147  251.339   21.442  253.697   21.210 -2.357971 30.15993 
1 1 1    5    5   18 o  454.706   25.854  499.091   54.800  459.054   77.507  539.110   77.491  435.868   38.049  473.543   35.015 -37.67511 51.70846 
1 1 1    5    5   19 o  571.062   30.526  790.235   81.076  703.360  114.639  877.167  114.677  538.504   45.551  603.621   40.651 -65.11743 61.05270 
1 1 1    5    5   20 o  459.557   24.144  520.705   49.532  583.168   63.961  427.124   78.289  496.667   27.555  422.448   39.654 74.21887 48.28777 
1 1 1    5    5   21 o  593.331   26.468  813.809   72.286  680.481   93.309  1013.92  114.315  534.395   37.361  652.268   37.500 -117.8730 52.93504 
1 1 1    5    5   22 o  273.237   13.762  177.749   17.086  186.693   22.070  164.368   26.994  282.117   16.739  264.358   21.849 17.75906 27.52396 
1 1 1    5    5   23 o  384.390   29.753  349.457   53.450  349.457   53.450   0.0000   0.0000  384.390   29.753  ?   ?       ?      ? 
1 1 1    5    5   24 o  724.819   53.886  1277.05  182.536  1277.05  182.536   0.0000   0.0000  724.819   53.886  ?   ?       ?      ? 
1 1 1    5    5   25 o  476.261   26.198  540.651   58.253  568.223   82.404  513.108   82.360  488.640   36.084  463.883   37.990 24.75699 52.39559 
1 1 1    5    5   26 o  260.075   16.738  149.972   19.461  192.145   34.118  129.633   23.694  285.408   25.578  234.743   21.597 50.66484 33.47660 
1 1 1    5    5   27 o  637.010   42.379  1001.92  118.282  1011.96  144.897  981.867  204.781  647.479   47.884  626.541   69.935 20.93750 84.75751 
1 1 1    5    5   28 o  294.067   23.177  205.488   31.811  218.515   45.165  192.663   44.811  303.454   31.847  284.681   33.681 18.77271 46.35334 
1 1 1    5    5   29 o  574.669   47.490  838.026  127.312  784.726  180.136  891.221  179.957  554.818   69.472  594.519   64.768 -39.70093 94.97984 
1 1 1    5    5   30 o  448.464   27.907  469.972   55.800  535.680   96.808  437.280   68.284  469.461   44.123  427.468   34.180 41.99231 55.81343 
1 1 1    5    5   31 o  610.075   31.655  907.287   90.159  861.153  127.530  953.383  127.479  593.896   45.947  626.255   43.556 -32.35846 63.31072 
1 1 1    5    5   32 o  175.414   11.631   72.495   9.4513   85.112   13.571   60.612   13.170  190.340   15.256  160.487   17.559 29.85321 23.26112 
1 1 1    5    5   33 o  472.155   23.611  541.746   50.608  569.094   65.358  500.796   79.974  488.837   28.608  455.474   37.570 33.36313 47.22231 
1 1 1    5    5   34 o  365.910   18.161  322.404   30.187  338.576   39.001  298.236   47.676  378.305   22.059  353.515   28.857 24.78986 36.32251 
1 1 1    5    5   35 o  292.928   14.891  204.230   19.916  209.051   25.746  197.046   31.428  297.670   18.507  288.186   23.335 9.484375 29.78245 
1 1 1    5    5   36 o  227.470   13.743  122.335   14.591  115.971   20.726  128.588   20.546  221.525   20.020  233.414   18.834 -11.88930 27.48676 
1 1 1    5    5   37 o  229.000   11.945  120.441   12.603  102.609   16.278  147.125   19.913  208.451   16.709  249.548   17.074 -41.09653 23.88951 
1 1 1    5    5   38 o  260.202   17.374  160.449   21.128  160.449   21.128   0.0000   0.0000  260.202   17.374  ?   ?       ?      ? 
1 1 1    5    5   39 o  182.417   15.622   84.906   11.242   90.441   13.090   69.343   21.949  195.749   14.308  169.084   27.776 26.66533 31.24462 
1 1 1    5    5   40 o  161.113   13.847   61.253   10.426   61.253   10.426   0.0000   0.0000  161.113   13.847  ?   ?       ?      ? 
1 1 1    5    5   41 o  186.793   18.331   84.519   15.914   96.710   22.964   73.254   22.073  200.090   24.557  173.495   27.223 26.59476 36.66248 
1 1 1    5    5   42 o  228.257   17.055  124.991   17.237  122.220   21.143  130.481   29.766  225.801   20.035  230.712   27.606 -4.910629 34.11005 
1 1 1    5    5   43 o  142.497   18.530   51.711   11.873   40.722   17.270   61.561   16.350  125.546   29.867  159.449   21.942 -33.90267 37.06058 
1 1 1    5    5   44 o  101.420   23.450   26.004   10.893   0.0000   0.0000   26.004   10.893  ?   ?   101.420   23.450      ?      ? 
1 1 1    5    5   46 o   26.801   13.163 -11.4548   5.6964 -11.4548   5.6964   0.0000   0.0000   26.801   13.163  ?   ?       ?      ? 
1 1 1    5    5   47 o  202.193   11.903   97.457   11.083   93.517   14.369  103.244   17.413  197.609   15.558  206.777   18.019 -9.167953 23.80662 
1 1 1    5    5   48 o   92.763   14.421   20.931   5.9672   26.659   9.7260   17.473   7.5566  102.518   21.006   83.007   19.763 19.51088 28.84138 
1 1 1    5    5   49 o  177.168   12.153   76.009   10.060   74.103   14.250   77.902   14.203  174.864   17.437  179.473   16.933 -4.609406 24.30626 
1 1 1    5    5   50 o   34.321   11.022  -3.3922   3.8679  -1.2365   5.6939  -5.2393   5.2706   37.841   16.643   30.801   14.454 7.039476 22.04329 
1 1 1    5    5   51 o  176.619   18.095   87.132   11.661   93.791   13.456   67.036   23.374  197.440   14.582  155.798   33.122 41.64264 36.18963 
1 1 1    5    5   52 o  110.866   15.418   33.772   6.5853   36.052   7.5513   26.531   13.457  122.598   13.179   99.135   27.879 23.46323 30.83701 
1 1 1    5    5   53 o  242.572   15.370  147.068   17.416  141.313   24.459  152.986   24.805  237.543   22.032  247.602   21.436 -10.05923 30.73919 
1 1 1    5    5   54 o  178.835   11.806   77.422   9.6109   76.114   12.243   79.522   15.515  177.654   14.746  180.017   18.441 -2.363007 23.61180 
1 1 1    5    5   55 o  103.121   13.758   26.382   6.4691   22.225   8.6971   31.529   9.6787   92.946   20.566  113.296   18.279 -20.34948 27.51558 
1 1 1    5    5   56 o   88.494   14.746   20.121   5.9874   17.068   7.9851   24.043   9.0492   80.812   20.964   96.176   20.743 -15.36410 29.49128 
1 1 1    5    5   57 o  141.203   12.547   49.016   8.2484   47.702   11.131   50.618   12.284  139.375   17.089  143.031   18.376 -3.655838 25.09421 
1 1 1    5    5   58 o   52.703   14.228   3.3209   5.0658  -1.1875   6.4424   10.624   8.1996   39.931   17.627   65.476   22.339 -25.54465 28.45595 
1 1 1    5    5   59 o   52.506   15.794   2.2498   6.6206  -0.4069   11.279   3.6462   8.1775   53.129   23.395   51.884   21.224 1.245770 31.58736 
1 1 1    5    5   60 o   61.551   26.017   4.6090   12.879   0.0000   0.0000   4.6090   12.879  ?   ?    61.551   26.017      ?      ? 
1 1 1    5    5   61 o   48.392   15.150  -0.4303   5.3378  -1.3585   5.9191   3.6113   12.351   37.678   16.750   59.107   25.249 -21.42985 30.29986 
1 1 1    5    5   62 o   84.036   13.931   20.814   5.8416   28.250   7.3731   8.2768   9.5740  106.825   14.769   61.247   23.627 45.57782 27.86262 
1 1 1    5    5   63 o   82.288   16.604   19.159   6.6890   17.486   9.0806   21.144   9.8905   78.608   23.154   85.967   23.804 -7.358627 33.20721 
1 1 1    5    5   64 o   77.615   15.626   16.164   5.8556   13.005   7.4528   21.258   9.4655   68.784   21.139   86.446   23.019 -17.66226 31.25265 
1 1 1    5    5   65 o   77.984   16.590   17.641   6.5116   16.948   8.7552   18.500   9.7411   76.674   22.774   79.294   24.129 -2.619904 33.17952 
1 1 1    5    5   66 o   55.536   15.385   7.6695   5.8210   9.9681   6.6353  -0.0091   12.127   59.724   20.097   51.347   23.301 8.377716 30.77055 
1 1 1    5    5   67 o  101.014   16.812   30.585   7.2518   30.807   8.4431   29.961   14.160  108.271   16.686   93.757   29.191 14.51438 33.62323 
1 1 1    5    5   68 o   70.292   15.338   14.776   5.3934   12.681   6.7726   18.407   8.9172   64.950   20.183   75.634   23.102 -10.68414 30.67651 
1 1 1    5    5   69 o   52.118   15.727   5.0238   5.6447   3.3057   6.3435   11.558   12.371   43.594   18.334   60.641   25.559 -17.04681 31.45446 
1 1 1    5    5   70 o   40.337   13.322  -3.9389   6.5478   2.0131   7.8176 -17.9282   11.985   43.797   19.371   36.877   18.292 6.920219 26.64311 
1 1 1    5    5   71 o   55.174   17.216   9.2636   8.7014   10.356   11.973   8.0409   12.667   56.269   24.453   54.080   24.240 2.188740 34.43137 
1 1 1    5    6    0 o  107.301   14.466   29.790   9.1766   29.790   9.1766   29.790   9.1766  107.301   20.458  107.301   20.458 -0.000000 0.000000 
1 1 1    5    6    1 o  301.242   24.321  219.828   34.086  243.246   48.220  196.441   48.189  317.862   32.460  284.622   36.227 33.23941 48.64218 
1 1 1    5    6    2 o  387.380   44.013  370.126   79.682   0.0000   0.0000  370.126   79.682  ?   ?   387.380   44.013      ?      ? 
1 1 1    5    6    3 o  241.285   20.026  140.294   22.270  166.672   31.521  114.004   31.468  264.633   25.487  217.936   30.896 46.69708 40.05188 
1 1 1    5    6    4 o  174.369   13.059   70.007   10.133   77.338   17.573   66.354   12.403  180.820   20.794  167.918   15.804 12.90262 26.11860 
1 1 1    5    6    5 o  384.180   25.695  352.551   43.719  373.757   75.741  341.955   53.538  390.645   41.487  377.714   30.329 12.93021 51.39057 
1 1 1    5    6    6 f  240.086   16.685  133.852   17.810  146.061   30.855  127.751   21.810  247.627   26.661  232.545   20.068 15.08183 33.37003 
1 1 1    5    6    7 o  341.786   24.740  313.712   34.330  206.111   59.411  367.650   42.063  289.650   43.888  393.922   22.848 -104.2720 49.47955 
1 1 1    5    6    8 o  126.350   11.342   37.625   6.2981   37.366   10.936   37.754   7.7040  125.876   18.590  126.823   12.998 -0.9466858 22.68316 
1 1 1    5    6    9 o  182.536   10.025   77.397   8.4179   83.184   13.318   73.547   10.863  188.082   15.152  176.989   13.133 11.09254 20.05099 
1 1 1    5    6   10 f  338.589   21.075  269.176   31.699  293.856   54.974  256.883   38.799  348.739   33.730  328.439   25.277 20.30026 42.15024 
1 1 1    5    6   11 o  525.053   24.232  627.237   57.140  522.917   69.942  836.584   99.080  464.835   32.196  585.272   36.223 -120.4374 48.46317 
1 1 1    5    6   12 o  128.457   9.0843   38.878   5.4307   34.717   7.6679   43.067   7.6926  121.503   13.503  135.410   12.156 -13.90704 18.16864 
1 1 1    5    6   13 o  385.995   27.495  370.464   46.178  382.204   56.552  346.972   79.998  398.728   30.348  373.262   45.859 25.46625 54.99096 
1 1 1    5    6   14 o  230.398   10.812  125.708   11.364  129.116   14.676  120.607   17.956  234.493   13.392  226.303   16.978 8.190308 21.62407 
1 1 1    5    6   15 o  423.306   33.703  480.214   54.331  515.772   62.733  373.492  108.680  464.800   28.879  381.812   60.905 82.98798 67.40536 
1 1 1    5    6   16 f  347.406   16.521  283.266   26.387  271.396   34.061  301.083   41.729  338.763   21.514  356.050   25.078 -17.28748 33.04128 
1 1 1    5    6   17 o  228.541   12.726  124.601   13.214  130.855   17.068  115.246   20.877  236.009   15.475  221.072   20.207 14.93736 25.45168 
1 1 1    5    6   18 o  458.858   22.994  510.440   47.745  544.416   61.650  459.520   75.472  479.487   27.512  438.229   36.850 41.25778 45.98727 
1 1 1    5    6   19 o  479.545   21.085  536.298   46.569  498.878   60.115  592.448   73.639  459.325   28.004  499.764   31.528 -40.43942 42.16953 
1 1 1    5    6   20 o  542.473   22.837  685.659   57.084  630.252   73.692  768.786   90.263  515.958   30.561  568.987   33.944 -53.02905 45.67450 
1 1 1    5    6   21 f  524.880   33.958  668.150   71.587  672.428   82.652  655.305  143.224  532.442   33.215  517.319   59.240 15.12250 67.91628 
1 1 1    5    6   22 o  1142.02   55.140  3268.21  289.397  3122.15  373.605  3487.31  457.584  1117.39   71.543  1166.64   83.925 -49.25061 110.2804 
1 1 1    5    6   23 o  364.026   21.615  305.584   32.178  297.286   37.141  330.556   64.431  355.454   22.358  372.597   37.001 -17.14304 43.23094 
1 1 1    5    6   24 o  259.058   20.501  161.464   24.046  115.274   33.795  208.832   34.223  220.438   32.803  297.677   24.600 -77.23936 41.00251 
1 1 1    5    6   25 o  682.290   44.033  1223.58  126.043  947.427  218.254  1361.77  154.391  611.565   76.362  753.015   43.871 -141.4495 88.06693 
1 1 1    5    6   26 o  601.933   46.369  899.780  130.265  951.639  184.335  848.048  184.110  620.323   63.584  583.544   67.509 36.77844 92.73823 
1 1 1    5    6   27 o  426.176   33.084  439.230   65.630  483.289   92.843  395.223   92.788  448.280   44.316  404.072   49.135 44.20749 66.16724 
1 1 1    5    6   28 o  324.150   23.863  253.212   35.442  311.545   50.354  195.938   49.895  362.277   29.740  286.023   37.326 76.25436 47.72537 
1 1 1    5    6   29 o  751.202   36.106  1391.89  126.288  1523.17  178.616  1260.66  178.582  788.584   48.465  713.819   53.531 74.76544 72.21111 
1 1 1    5    6   30 o  556.964   34.987  758.996   78.559  756.192   90.739  767.386  156.983  561.880   34.555  552.048   60.846 9.832458 69.97346 
1 1 1    5    6   31 o  184.268   11.833   81.920   9.9093   62.775   14.447   98.929   13.617  163.245   18.937  205.292   14.193 -42.04774 23.66510 
1 1 1    5    6   32 o   91.788   15.449   20.817   5.7377   18.290   12.390   21.506   6.4736   87.876   27.297   95.701   14.474 -7.824730 30.89726 
1 1 1    5    6   33 o  240.731   14.272  136.815   16.044  143.319   22.734  130.361   22.646  246.485   19.736  234.977   20.622 11.50847 28.54408 
1 1 1    5    6   34 o   67.938   13.952   11.655   4.6385   13.543   5.5181   7.1089   8.5633   74.424   16.315   61.452   22.638 12.97260 27.90456 
1 1 1    5    6   35 o  539.312   27.618  725.737   66.988  789.325   86.502  630.470  105.879  573.008   32.301  505.617   44.807 67.39032 55.23616 
1 1 1    5    6   36 o  171.257   11.006   67.975   8.7122   62.086   11.346   76.435   13.600  162.415   14.947  180.099   16.158 -17.68425 22.01157 
1 1 1    5    6   37 o  291.785   14.847  201.163   19.905  193.916   25.692  212.045   31.482  285.718   19.240  297.853   22.616 -12.13422 29.69314 
1 1 1    5    6   38 o  206.197   11.351   96.868   10.715   75.604   13.803  129.118   16.999  178.695   16.528  233.698   15.564 -55.00311 22.70286 
1 1 1    5    6   39 o  209.470   11.251  100.888   10.856   85.297   14.024  124.196   17.147  189.870   15.805  229.071   16.017 -39.20166 22.50176 
1 1 1    5    6   40 o  296.986   21.439  225.405   25.029  234.705   28.938  197.793   49.863  313.677   19.740  280.296   38.064 33.38113 42.87855 
1 1 1    5    6   41 o  140.038   12.756   43.726   8.0070   36.814   9.7748   57.824   13.959  124.471   16.803  155.604   19.196 -31.13379 25.51136 
1 1 1    5    6   42 o  133.014   11.638   42.612   7.0508   31.458   9.8586   54.291   10.088  114.676   18.395  151.352   14.262 -36.67516 23.27618 
1 1 1    5    6   43 o  202.131   15.226   93.308   13.791  119.385   24.018   80.481   16.845  221.429   23.210  182.834   19.714 38.59457 30.45193 
1 1 1    5    6   44 o  246.952   22.235  154.322   25.480  174.448   36.108  134.358   35.961  264.280   29.234  229.623   33.510 34.65709 44.46962 
1 1 1    5    6   45 o   48.859   14.206   1.1261   4.9212  -0.8985   5.9237   5.6361   8.8412   39.354   17.150   58.363   22.651 -19.00897 28.41121 
1 1 1    5    6   46 o   65.071   14.108   10.761   4.6033   12.368   5.3909   6.4340   8.8452   70.456   16.638   59.686   22.788 10.77097 28.21516 
1 1 1    5    6   47 o  242.126   16.773  141.361   16.655  136.972   19.287  154.233   33.030  238.224   17.323  246.029   28.726 -7.805222 33.54536 
1 1 1    5    6   48 o  133.653   12.250   37.028   7.0038   28.531   8.1414   61.221   13.737  108.783   16.014  158.522   18.543 -49.73933 24.50040 
1 1 1    5    6   49 o  132.456   14.391   44.623   7.3439   45.713   8.4935   41.392   14.618  138.477   13.124  126.435   25.616 12.04197 28.78262 
1 1 1    5    6   50 o   70.416   18.921   12.530   6.3601   12.530   6.3601   0.0000   0.0000   70.416   18.921  ?   ?       ?      ? 
1 1 1    5    6   51 o  161.215   12.655   55.180   8.7106   44.241   10.110   86.704   17.162  135.056   16.017  187.374   19.598 -52.31833 25.31041 
1 1 1    5    6   52 o   71.543   12.379   13.175   4.7105   20.789   6.3289   3.7196   7.0531   92.854   14.584   50.233   20.007 42.62132 24.75824 
1 1 1    5    6   53 o  191.807   12.422   94.484   10.497  111.556   13.704   70.243   16.329  215.550   13.604  168.064   20.790 47.48618 24.84492 
1 1 1    5    6   54 o   54.516   13.597   6.3675   4.5130   9.2989   6.0363   2.6520   6.7958   61.365   19.052   47.667   19.406 13.69748 27.19483 
1 1 1    5    6   55 o   86.466   13.786   19.827   5.4736   23.016   7.0069   14.834   8.7674   97.299   15.409   75.633   22.864 21.66648 27.57188 
1 1 1    5    6   56 o   47.250   14.131   1.5412   5.2789   5.0623   5.8202 -14.7906   12.535   50.079   18.622   44.421   21.259 5.657951 28.26189 
1 1 1    5    6   57 o   85.690   17.542   15.641   6.9569   10.050   8.0929   31.466   13.616   64.399   22.186  106.982   27.179 -42.58271 35.08478 
1 1 1    5    6   58 o   36.347   12.579 -13.6536   6.1296 -13.0078   11.385 -13.9172   7.2738   42.451   20.302   30.242   14.858 12.20957 25.15772 
1 1 1    5    6   59 o   96.286   18.406   24.729   8.0246   29.202   14.403   22.715   9.6634  100.771   29.012   91.802   22.660 8.969116 36.81283 
1 1 1    5    6   60 o   93.305   20.818   25.483   10.214   27.874   13.884   22.661   15.080   98.014   28.562   88.595   30.295 9.419456 41.63570 
1 1 1    5    6   61 o   85.805   17.761   16.683   6.5687   12.884   7.4062   30.688   14.220   69.509   21.015  102.101   28.639 -32.59264 35.52206 
1 1 1    5    6   62 o  109.074   20.677   33.987   10.710   25.638   13.680   47.209   17.216   92.717   28.663  125.432   29.808 -32.71514 41.35339 
1 1 1    5    6   63 o   58.066   13.156   2.6084   5.8263   19.479   8.1977 -14.6119   8.2823   83.796   20.980   32.337   15.880 51.45939 26.31263 
1 1 1    5    6   64 o   73.864   15.024   15.421   5.5151   17.281   7.1585   12.705   8.6507   79.718   19.398   68.010   22.947 11.70743 30.04747 
1 1 1    5    6   65 o   86.714   16.437   18.887   6.5847   12.334   7.8645   34.252   12.043   66.092   21.872  107.337   24.541 -41.24532 32.87326 
1 1 1    5    6   66 o   58.982   13.977   9.5511   5.6388   15.689   6.6814  -5.6403   10.512   74.476   19.103   43.488   20.409 30.98761 27.95455 
1 1 1    5    6   67 o   70.224   17.512   14.300   6.4963   13.234   7.4676   17.617   13.173   67.181   21.241   73.267   27.848 -6.085472 35.02430 
1 1 1    5    6   68 o   54.637   16.040   4.3483   5.8336   0.6760   6.6416   16.748   12.204   40.435   17.871   68.839   26.641 -28.40374 32.08006 
1 1 1    5    6   69 o   79.024   18.088   18.730   7.5578   10.275   9.0576   38.111   13.713   57.674   22.766  100.373   28.113 -42.69889 36.17532 
1 1 1    5    6   70 o   94.760   18.918   30.175   8.6052   20.731   10.523   49.236   14.951   74.921   25.308  114.598   28.125 -39.67712 37.83527 
1 1 1    5    6   71 o   65.681   19.163   18.184   9.6636   10.281   12.734   28.914   14.839   55.455   24.615   75.908   29.377 -20.45313 38.32660 
1 1 1    5    7    0 o  114.217   14.752   33.511   10.037   33.511   10.037   33.511   10.037  114.217   20.862  114.217   20.862 -0.000000 0.000000 
1 1 1    5    7    1 o  757.371   42.093  1470.79  148.068  1298.18  209.387  1643.43  209.414  708.604   63.227  806.137   55.584 -97.53247 84.18610 
1 1 1    5    7    2 o  335.451   18.337  268.094   28.669  290.424   40.549  245.774   40.540  349.690   24.812  321.211   27.005 28.47919 36.67311 
1 1 1    5    7    3 o  540.598   27.531  710.823   69.487  746.394   98.275  675.260   98.264  554.675   37.911  526.522   39.933 28.15302 55.06254 
1 1 1    5    7    4 o  177.564   11.387   75.341   9.2177   56.347   13.018   94.438   13.053  154.616   18.016  200.513   13.930 -45.89731 22.77301 
1 1 1    5    7    5 o  139.350   9.7272   45.810   6.2924   51.890   8.8988   39.730   8.8987  148.686   12.806  130.014   14.645 18.67146 19.45446 
1 1 1    5    7    6 o  347.008   21.231  273.572   33.042  342.641   57.326  239.209   40.435  377.368   32.504  316.648   27.323 60.71942 42.46295 
1 1 1    5    7    7 o  273.344   19.319  176.541   24.680   0.0000   0.0000  176.541   24.680  ?   ?   273.344   19.319      ?      ? 
1 1 1    5    7    8 f  426.148   29.069  443.846   54.702  462.237   94.751  434.652   66.994  429.045   47.254  423.251   33.869 5.793671 58.13806 
1 1 1    5    7    9 o  323.404   15.471  248.044   22.925  250.899   36.246  246.140   29.597  324.434   23.905  322.374   19.645 2.059937 30.94156 
1 1 1    5    7   10 o  196.830   17.075   94.095   14.620   97.501   17.891   87.248   25.366  203.042   18.854  190.617   28.474 12.42532 34.15023 
1 1 1    5    7   11 o  595.051   50.557  990.891  127.076  841.126  220.127  1065.75  155.628  540.390   87.161  649.712   51.253 -109.3217 101.1138 
1 1 1    5    7   12 o  237.203   21.156  141.650   21.366  154.368   26.150  116.115   37.055  255.361   21.912  219.045   36.197 36.31609 42.31256 
1 1 1    5    7   13 o  376.129   17.345  335.920   30.467  320.779   43.083  351.065   43.090  367.515   25.084  384.744   23.964 -17.22836 34.69090 
1 1 1    5    7   14 o  297.593   15.971  209.757   22.208  204.964   31.401  214.553   31.415  294.147   22.842  301.039   22.329 -6.892212 31.94250 
1 1 1    5    7   15 o  667.421   39.438  1057.82  118.161  909.858  144.690  1354.07  204.737  604.985   51.174  729.857   60.023 -124.8719 78.87659 
1 1 1    5    7   16 o  456.546   28.182  494.744   60.132  494.744   60.132   0.0000   0.0000  456.546   28.182  ?   ?       ?      ? 
1 1 1    5    7   17 o  269.379   19.678  184.442   20.535  196.395   23.707  148.527   41.094  289.177   17.542  249.582   35.231 39.59488 39.35663 
1 1 1    5    7   18 o  182.926   11.176   70.914   8.5660   62.678   9.8689   96.076   17.249  163.577   12.909  202.275   18.247 -38.69893 22.35168 
1 1 1    5    7   19 o  708.661   33.420  1203.99  108.649  1179.50  140.265  1240.74  171.792  701.618   42.776  715.703   51.360 -14.08484 66.84084 
1 1 1    5    7   20 o  199.917   13.851   95.508   11.066   97.083   12.758   90.725   22.233  203.579   13.410  196.256   24.240 7.322464 27.70230 
1 1 1    5    7   21 f  114.502   13.563   35.626   6.2726   43.476   7.7761   21.003   10.613  136.262   12.211   92.741   24.223 43.52161 27.12635 
1 1 1    5    7   22 o  781.413   60.354  1656.75  197.847  1824.70  242.320  1320.92  342.658  862.312   60.129  700.513  104.665 161.7991 120.7073 
1 1 1    5    7   23 o  181.878   14.876   79.806   10.585   81.583   12.111   74.058   21.784  186.596   13.888  177.159   26.311 9.436676 29.75111 
1 1 1    5    7   24 o  251.807   20.719  149.960   24.376  145.259   34.197  154.816   34.756  247.771   29.532  255.842   29.068 -8.070358 41.43799 
1 1 1    5    7   25 o  327.402   25.537  255.214   39.056  265.318   55.448  245.264   55.021  333.931   35.529  320.873   36.690 13.05859 51.07345 
1 1 1    5    7   26 o  715.583   60.327  1328.36  200.729  1189.41  283.916  1467.23  283.830  674.034   90.129  757.131   80.213 -83.09692 120.6540 
1 1 1    5    7   27 o  581.632   42.050  877.906  104.102  951.101  127.532  731.746  180.217  627.606   43.480  535.658   71.989 91.94800 84.10041 
1 1 1    5    7   28 o  237.372   12.773  132.613   14.147  123.461   19.913  141.940   20.103  229.051   18.602  245.693   17.508 -16.64191 25.54528 
1 1 1    5    7   29 o  273.065   14.404  176.977   17.945  181.783   23.186  169.798   28.339  277.992   17.846  268.138   22.614 9.854889 28.80768 
1 1 1    5    7   30 o  173.025   17.713   83.582   10.855   93.480   12.501   53.244   21.886  199.613   13.401  146.438   32.794 53.17542 35.42663 
1 1 1    5    7   31 o  181.521   15.214   80.431   11.773   71.218   20.927   84.697   14.240  173.230   25.849  189.812   16.052 -16.58185 30.42765 
1 1 1    5    7   32 o  210.223   12.049  105.023   11.544  109.073   14.935   99.013   18.194  215.483   14.830  204.962   18.993 10.52077 24.09744 
1 1 1    5    7   33 o   90.285   12.371   19.160   5.0844   30.735   7.7516   10.421   6.7358  114.359   14.504   66.211   20.046 48.14888 24.74292 
1 1 1    5    7   34 o  251.702   13.369  146.726   15.523  133.169   20.085  166.835   24.463  237.640   18.085  265.764   19.695 -28.12375 26.73898 
1 1 1    5    7   35 o  141.836   10.451   47.872   6.7999   50.693   8.9679   44.055   10.430  146.912   13.061  136.760   16.318 10.15179 20.90181 
1 1 1    5    7   36 f   77.931   16.111   15.523   6.0370   9.4242   11.865   17.653   7.0125   71.112   26.560   84.751   18.245 -13.63961 32.22231 
1 1 1    5    7   37 o  316.781   21.586  239.872   30.265  260.855   52.774  229.590   36.944  324.896   34.756  308.666   25.610 16.22916 43.17262 
1 1 1    5    7   38 o  134.367   11.167   45.135   6.5901   52.828   8.5117   33.623   10.413  149.810   12.157  118.924   18.735 30.88599 22.33353 
1 1 1    5    7   39 o  343.808   16.971  279.880   26.877  258.853   34.692  311.449   42.508  328.488   22.598  359.129   25.327 -30.64063 33.94259 
1 1 1    5    7   40 o  209.056   18.336  111.447   16.320  121.603   20.009   91.257   28.211  225.820   18.959  192.292   31.391 33.52826 36.67236 
1 1 1    5    7   41 o  356.302   24.563  309.090   39.057  284.448   47.823  358.444   67.679  338.914   30.193  373.690   38.753 -34.77634 49.12624 
1 1 1    5    7   42 o  162.151   17.154   64.234   12.990   62.050   18.485   66.364   18.257  159.260   24.836  165.043   23.669 -5.783585 34.30812 
1 1 1    5    7   43 f  183.524   24.977   82.577   21.423   0.0000   0.0000   82.577   21.423  ?   ?   183.524   24.977      ?      ? 
1 1 1    5    7   44 o  133.472   17.124   44.367   10.414   50.377   14.941   38.688   14.524  143.836   22.226  123.108   26.057 20.72753 34.24874 
1 1 1    5    7   45 o   68.793   15.142   10.680   4.8683   9.7053   5.6339   13.552   9.6727   62.778   18.166   74.808   24.230 -12.02993 30.28367 
1 1 1    5    7   46 o  113.907   11.654   31.275   6.1801   33.560   8.6155   28.854   8.8702  118.372   15.574  109.441   17.342 8.930878 23.30864 
1 1 1    5    7   47 f  148.255   12.167   53.745   8.2558   41.501   11.642   66.132   11.710  130.495   19.089  166.015   15.092 -35.52043 24.33424 
1 1 1    5    7   48 o  228.365   13.227  128.726   13.727  135.304   17.780  119.019   21.597  236.917   16.058  219.812   21.023 17.10457 26.45443 
1 1 1    5    7   49 o  192.776   11.965   92.138   10.382  100.940   13.451   79.167   16.329  205.463   14.008  180.090   19.401 25.37308 23.92927 
1 1 1    5    7   50 o   62.613   14.027   8.6969   4.8918   14.681   7.2929   3.8025   6.5958   75.808   20.214   49.418   19.453 26.39010 28.05403 
1 1 1    5    7   51 o  149.925   12.321   54.881   8.6166   59.717   12.414   50.384   11.970  156.459   16.977  143.391   17.862 13.06813 24.64271 
1 1 1    5    7   52 o  169.776   11.252   70.102   8.7644   71.168   11.425   68.579   13.663  171.967   14.215  167.585   17.445 4.381744 22.50317 
1 1 1    5    7   53 o  294.249   14.144  214.859   19.329  242.345   27.442  187.798   27.229  314.014   18.699  274.483   21.227 39.53107 28.28834 
1 1 1    5    7   54 o  206.772   14.196  107.406   13.334   79.763   18.822  135.256   18.892  178.081   22.615  235.463   17.167 -57.38141 28.39291 
1 1 1    5    7   55 o  107.284   12.768   28.800   6.2657   30.598   9.0047   27.113   8.7242  111.441   17.289  103.128   18.794 8.313324 25.53675 
1 1 1    5    7   56 o   47.249   13.580   2.1031   4.9095  -1.9988   7.2301   5.6126   6.6877   41.473   18.471   53.025   19.913 -11.55128 27.16072 
1 1 1    5    7   57 o  104.661   14.523   27.982   6.9283   18.341   9.3681   39.622   10.293   82.858   23.247  126.464   17.416 -43.60561 29.04679 
1 1 1    5    7   58 o   73.977   21.845   14.472   8.0739   0.0000   0.0000   14.472   8.0739  ?   ?    73.977   21.845      ?      ? 
1 1 1    5    7   59 o  100.496   21.448   26.866   9.7667   0.0000   0.0000   26.866   9.7667  ?   ?   100.496   21.448      ?      ? 
1 1 1    5    7   60 o  116.058   20.526   40.646   11.215   46.377   14.556   32.274   17.593  129.738   24.912  102.377   32.628 27.36124 41.05126 
1 1 1    5    7   61 o   85.879   18.542   21.817   8.1550   24.426   9.7578   15.776   14.851   94.448   22.439   77.311   29.525 17.13644 37.08359 
1 1 1    5    7   62 o  119.748   18.454   42.268   9.5576   37.454   17.127   44.446   11.518  108.437   31.758  131.059   18.804 -22.62230 36.90797 
1 1 1    5    7   63 o   73.365   14.873   15.004   6.8475  -2.3635   11.017   25.938   8.7412   48.905   22.199   97.825   19.799 -48.92029 29.74547 
1 1 1    5    7   64 o  118.521   15.871   38.565   7.7053   37.974   9.0844   40.079   14.547  122.142   15.914  114.900   27.463 7.242027 31.74122 
1 1 1    5    7   65 o   53.873   22.129   5.8780   8.9358   5.8780   8.9358   0.0000   0.0000   53.873   22.129  ?   ?       ?      ? 
1 1 1    5    7   66 o   50.206   15.351   3.3592   6.0481   4.6895   6.8698  -1.2253   12.753   48.820   19.641   51.593   23.598 -2.773094 30.70210 
1 1 1    5    7   67 o  103.199   18.977   37.064   9.2646   39.748   11.593   32.318   15.413  114.797   22.412   91.601   30.631 23.19604 37.95434 
1 1 1    5    7   68 o   70.041   14.498   15.258   6.1848   2.8026   9.2164   25.462   8.3420   47.734   21.077   92.348   19.914 -44.61336 28.99659 
1 1 1    5    7   69 o   45.622   13.847   3.4520   5.3753   1.0127   7.7848   5.6747   7.4311   42.512   19.033   48.732   20.117 -6.219921 27.69368 
1 1 1    5    7   70 o   54.407   15.225   8.4968   5.8465   12.706   8.6378   4.9379   7.9422   61.146   22.696   47.668   20.302 13.47748 30.45098 
1 1 1    5    7   71 o   48.476   15.226   5.1337   6.4261   7.6803   11.779   4.0547   7.6676   52.149   23.375   44.803   19.519 7.345688 30.45257 
1 1 1    5    8    0 o  222.834   13.555  119.252   19.624  119.252   19.624  119.252   19.624  222.834   19.170  222.834   19.170 -0.000000 0.000000 
1 1 1    5    8    1 o  404.595   22.271  394.852   42.111  397.704   59.553  392.000   59.554  406.103   31.378  403.086   31.613 3.016815 44.54197 
1 1 1    5    8    2 o  213.255   12.763  107.602   12.686  116.791   17.948   98.428   17.932  222.466   17.262  204.044   18.805 18.42256 25.52676 
1 1 1    5    8    3 o  608.239   53.642  1140.47  122.688  723.022  212.444  1349.36  150.283  480.129   97.993  736.349   43.670 -256.2205 107.2837 
1 1 1    5    8    4 o  334.883   18.800  269.037   29.325  244.150   41.465  293.941   41.479  318.977   27.815  350.788   25.301 -31.81143 37.60089 
1 1 1    5    8    5 o  232.716   11.986  126.337   12.827  135.972   20.314  119.948   16.542  239.842   18.123  225.589   15.690 14.25322 23.97147 
1 1 1    5    8    6 o  337.766   21.625  264.478   32.669  312.561   56.626  240.489   39.997  358.707   33.778  316.824   27.013 41.88293 43.25066 
1 1 1    5    8    7 o  394.679   24.912  371.253   39.992  394.575   80.035  363.493   46.169  399.036   42.917  390.322   25.310 8.714264 49.82394 
1 1 1    5    8    8 o  345.711   27.965  298.874   43.391  207.217   61.320  390.795   61.409  288.911   45.415  402.512   32.644 -113.6008 55.93002 
1 1 1    5    8    9 o   73.491   10.110   12.398   3.1624   11.095   3.8046   15.311   5.6881   67.700   12.485   79.282   15.905 -11.58132 20.21943 
1 1 1    5    8   10 o   97.532   7.9571   22.151   3.5715   23.150   5.6130   21.472   4.6297   99.342   12.090   95.723   10.349 3.619087 15.91422 
1 1 1    5    8   11 o  391.063   24.912  351.015   43.703  433.915   75.658  309.504   53.538  422.918   38.279  359.207   31.892 63.71164 49.82318 
1 1 1    5    8   12 o  269.840   20.040  180.241   23.262  155.798   40.321  192.435   28.479  254.409   33.913  285.271   21.361 -30.86201 40.07958 
1 1 1    5    8   13 o  336.062   26.981  273.900   42.156  242.779   59.605  305.047   59.630  316.241   40.330  355.883   35.852 -39.64178 53.96156 
1 1 1    5    8   14 o  648.726   50.099  1032.94  151.892  1032.94  151.892   0.0000   0.0000  648.726   50.099  ?   ?       ?      ? 
1 1 1    5    8   15 o  467.706   22.712  520.155   49.623  537.246   70.182  503.067   70.174  475.524   31.580  459.888   32.650 15.63559 45.42370 
1 1 1    5    8   16 o  650.797   32.560  1027.70   97.946  1197.41  138.534  858.081  138.499  706.577   41.952  595.017   49.805 111.5605 65.11922 
1 1 1    5    8   17 f  613.261   53.169  1059.22  126.641  1240.19  155.110  697.397  219.329  717.766   46.240  508.756   95.759 209.0100 106.3387 
1 1 1    5    8   18 o  564.808   37.101  768.493   92.438  788.888  160.160  758.306  113.195  567.043   60.436  562.574   43.053 4.468750 74.20280 
1 1 1    5    8   19 o  613.542   33.633  906.840   96.439  905.367  136.382  908.314  136.390  613.029   47.603  614.056   47.526 -1.026794 67.26618 
1 1 1    5    8   20 o  403.422   31.809  385.604   59.972  385.604   59.972   0.0000   0.0000  403.422   31.809  ?   ?       ?      ? 
1 1 1    5    8   21 o  499.266   22.187  597.846   50.342  625.572   64.996  556.275   79.587  514.791   27.016  483.742   35.203 31.04922 44.37474 
1 1 1    5    8   22 o  299.111   18.952  204.038   25.223  189.240   30.758  234.421   44.073  283.492   23.215  314.729   29.963 -31.23642 37.90452 
1 1 1    5    8   23 o  703.365   51.595  1271.23  156.895  1324.88  192.123  1163.82  271.841  736.568   55.812  670.162   86.795 66.40570 103.1904 
1 1 1    5    8   24 o  210.869   26.087  104.923   25.709  104.923   25.709   0.0000   0.0000  210.869   26.087  ?   ?       ?      ? 
1 1 1    5    8   25 o  335.183   25.510  268.069   39.830  294.117   56.544  242.413   56.116  351.661   34.405  318.704   37.675 32.95685 51.02044 
1 1 1    5    8   26 o  373.754   29.698  336.835   51.869  331.595   73.465  342.043   73.242  370.746   42.400  376.763   41.596 -6.017212 59.39661 
1 1 1    5    8   27 o  375.775   19.953  336.631   34.822  293.722   49.220  379.629   49.271  351.320   29.978  400.230   26.341 -48.91074 39.90648 
1 1 1    5    8   28 o  204.221   12.346   98.101   11.779  101.166   16.656   95.035   16.659  207.432   17.181  201.009   17.734 6.423477 24.69169 
1 1 1    5    8   29 o  200.854   11.309   94.050   10.390   91.263   13.299   98.418   16.648  197.170   14.432  204.538   17.415 -7.367630 22.61809 
1 1 1    5    8   30 o  287.417   19.430  192.943   24.691  185.965   30.116  207.250   43.122  280.380   22.983  294.454   31.336 -14.07462 38.86087 
1 1 1    5    8   31 o  116.770   10.908   32.048   5.9506   33.144   8.4329   30.961   8.3980  118.769   15.192  114.771   15.657 3.997879 21.81608 
1 1 1    5    8   32 o  695.081   36.830  1225.00  116.100  1280.59  149.891  1141.64  183.559  721.423   44.457  668.739   58.732 52.68420 73.66072 
1 1 1    5    8   33 o  337.154   16.287  262.524   25.300  227.841   32.623  314.869   40.077  310.055   22.513  364.252   23.543 -54.19778 32.57449 
1 1 1    5    8   34 o  445.375   21.798  473.003   44.580  459.058   57.548  493.929   70.496  438.235   28.098  452.515   33.334 -14.28003 43.59668 
1 1 1    5    8   35 o  171.371   11.676   72.264   8.9072   82.106   11.524   57.658   14.039  186.804   13.200  155.938   19.263 30.86566 23.35180 
1 1 1    5    8   36 o  379.736   23.539  348.043   36.251  341.473   41.835  367.844   72.624  377.306   23.725  382.166   40.662 -4.859650 47.07714 
1 1 1    5    8   37 o  370.073   19.832  338.666   33.169  362.009   42.840  303.728   52.410  388.309   23.606  351.837   31.873 36.47238 39.66315 
1 1 1    5    8   38 o  199.451   11.537   94.460   10.533   95.429   13.630   93.025   16.594  201.004   14.510  197.898   17.941 3.105316 23.07449 
1 1 1    5    8   39 o  268.093   15.745  174.218   19.415  139.580   27.462  208.824   27.450  240.459   24.437  295.728   19.861 -55.26839 31.49067 
1 1 1    5    8   40 o  341.823   31.162  355.842   36.410  401.606   42.074  219.349   72.661  408.373   22.045  275.272   58.295 133.1007 62.32395 
1 1 1    5    8   41 o  103.100   15.501   28.868   6.9475   33.854   8.4722   18.631   12.140  119.355   15.188   86.845   27.027 32.50990 31.00213 
1 1 1    5    8   42 o  144.481   17.401   51.619   11.486   56.236   16.672   47.447   15.848  151.887   23.487  137.074   25.682 14.81325 34.80227 
1 1 1    5    8   43 o   52.823   21.436   3.1196   8.2597   0.0000   0.0000   3.1196   8.2597  ?   ?    52.823   21.436      ?      ? 
1 1 1    5    8   44 o  202.763   19.152  102.511   18.123  107.995   25.567   96.972   25.694  208.613   26.224  196.913   27.920 11.69957 38.30401 
1 1 1    5    8   45 o  166.138   14.956   66.761   11.061   65.473   13.661   69.213   18.848  164.868   17.729  167.408   24.091 -2.539825 29.91151 
1 1 1    5    8   46 o  128.984   12.787   38.776   6.7685   37.169   7.8124   43.611   13.554  124.867   13.387  133.101   21.789 -8.233620 25.57317 
1 1 1    5    8   47 o  236.191   13.097  133.600   14.269  122.321   18.471  150.291   22.470  224.509   17.605  247.874   19.397 -23.36508 26.19483 
1 1 1    5    8   48 o  208.351   11.993  103.323   11.532   95.747   14.970  114.385   18.088  199.442   16.060  217.260   17.814 -17.81892 23.98511 
1 1 1    5    8   49 o  277.756   16.747  194.611   21.425  231.113   30.390  158.543   30.209  305.650   21.275  249.863   25.870 55.78696 33.49437 
1 1 1    5    8   50 o  130.635   13.538   44.645   7.4822   26.549   10.711   61.893   10.457  100.835   23.209  160.435   13.946 -59.60059 27.07700 
1 1 1    5    8   51 o   46.437   12.999   1.7264   4.4686   6.8812   6.5871  -2.6686   6.0822   55.909   19.956   36.965   16.663 18.94395 25.99839 
1 1 1    5    8   52 o  130.448   10.778   40.696   6.4150   39.156   8.1650   43.179   10.369  127.682   13.683  133.214   16.656 -5.531891 21.55551 
1 1 1    5    8   53 o  165.464   13.249   68.174   10.048   54.649   14.421   80.936   14.008  148.350   20.800  182.579   16.416 -34.22858 26.49750 
1 1 1    5    8   54 o  141.329   11.510   48.622   7.4565   47.964   9.6304   49.608   11.782  140.720   14.644  141.937   17.762 -1.217300 23.01997 
1 1 1    5    8   55 o  168.343   11.722   69.155   9.0360   70.529   14.320   68.246   11.648  168.974   18.133  167.711   14.861 1.263046 23.44460 
1 1 1    5    8   56 o   43.824   13.297  -0.7796   5.2576 -10.0168   8.9731   4.0496   6.4879   38.421   18.276   49.227   19.320 -10.80534 26.59479 
1 1 1    5    8   57 o   85.610   14.891   21.350   6.8238   4.8879   11.417   30.500   8.5115   60.040   24.872  111.179   16.381 -51.13874 29.78181 
1 1 1    5    8   58 o   67.678   19.359   11.935   6.4320   0.0000   0.0000   11.935   6.4320  ?   ?    67.678   19.359      ?      ? 
1 1 1    5    8   59 o  157.906   36.595   78.764   26.478   0.0000   0.0000   78.764   26.478  ?   ?   157.906   36.595      ?      ? 
1 1 1    5    8   60 o  194.520   16.738   92.639   14.363   76.260   17.191  130.512   26.141  170.622   21.559  218.417   25.609 -47.79443 33.47512 
1 1 1    5    8   61 o   65.498   16.099   11.047   6.1969   7.3515   9.3108   13.985   8.3030   59.222   23.173   71.775   22.354 -12.55234 32.19746 
1 1 1    5    8   62 o   67.637   16.363   12.543   6.2504   10.999   9.4268   13.754   8.3497   64.940   23.778   70.335   22.484 -5.394821 32.72522 
1 1 1    5    8   63 o  100.054   18.971   26.770   8.5463   26.770   8.5463   0.0000   0.0000  100.054   18.971  ?   ?       ?      ? 
1 1 1    5    8   64 o   36.533   16.773  -3.1440   6.5284  -3.1440   6.5284   0.0000   0.0000   36.533   16.773  ?   ?       ?      ? 
1 1 1    5    8   65 o   63.525   25.314   11.096   11.297   11.096   11.297   0.0000   0.0000   63.525   25.314  ?   ?       ?      ? 
1 1 1    5    8   66 o   98.550   15.248   28.098   6.8256   30.172   9.8878   26.209   9.4339  102.304   21.370   94.797   21.755 7.507149 30.49508 
1 1 1    5    8   67 o   86.737   16.124   24.681   6.7929   19.266   10.421   28.681   8.9573   74.985   25.186   98.489   20.140 -23.50381 32.24834 
1 1 1    5    8   68 o   70.910   13.007   13.801   5.3030   2.3818   7.1441   27.813   7.9139   43.493   18.895   98.328   17.880 -54.83423 26.01365 
1 1 1    5    8   69 o   30.911   10.526  -7.2067   4.5707  -4.0755   6.1927 -10.9533   6.7741   32.914   15.514   28.909   14.229 4.005306 21.05158 
1 1 1    5    8   70 o   74.949   12.064   18.199   5.4055   31.490   7.2610   1.6734   8.0961  107.061   14.512   42.837   19.275 64.22418 24.12750 
1 1 1    5    9    0 o  161.196   10.830   62.550   11.299   62.550   11.299   62.550   11.299  161.196   15.315  161.196   15.315 -0.000000 0.000000 
1 1 1    5    9    1 o  305.152   20.283  218.803   27.475  235.927   47.602  210.248   33.644  312.902   32.552  297.402   24.206 15.50027 40.56527 
1 1 1    5    9    2 o  346.027   18.790  285.484   30.387  285.681   42.972  285.287   42.975  346.150   26.563  345.905   26.584 0.2444153 37.58084 
1 1 1    5    9    3 o  505.974   27.533  623.996   65.066  599.531   92.014  648.465   92.021  495.628   39.724  516.320   38.135 -20.69254 55.06654 
1 1 1    5    9    4 o  296.591   14.932  203.578   20.411  235.452   32.309  182.406   26.332  315.355   21.922  277.828   20.280 37.52676 29.86347 
1 1 1    5    9    5 o  534.462   27.425  706.078   66.319  640.107  104.865  750.050   85.614  510.354   43.966  558.571   32.796 -48.21753 54.85046 
1 1 1    5    9    6 o  514.128   33.673  636.018   80.909   0.0000   0.0000  636.018   80.909  ?   ?   514.128   33.673      ?      ? 
1 1 1    5    9    7 o  581.590   38.253  864.562   88.201  818.514  176.426  879.906  101.842  559.682   67.449  603.498   36.108 -43.81616 76.50631 
1 1 1    5    9    8 o  482.058   28.473  539.878   56.553  624.051  113.170  511.864   65.289  501.613   48.275  462.504   30.205 39.10980 56.94567 
1 1 1    5    9    9 o  299.878   16.140  215.163   22.030  202.658   34.815  223.513   28.449  292.039   25.509  307.717   19.782 -15.67828 32.28054 
1 1 1    5    9   10 o  495.789   30.609  577.595   62.311  650.470  124.570  553.276   71.961  510.953   52.166  480.625   32.037 30.32761 61.21815 
1 1 1    5    9   11 o  624.106   32.780  951.955   95.579  978.696  135.173  925.216  135.167  633.273   45.672  614.939   47.032 18.33423 65.55907 
1 1 1    5    9   12 o  439.090   29.369  456.542   57.227  439.616   70.104  490.349   99.075  429.034   34.963  449.146   47.199 -20.11172 58.73816 
1 1 1    5    9   13 o  715.614   58.689  1329.25  196.266  1312.73  277.561  1345.77  277.564  710.675   83.569  720.553   82.424 -9.878540 117.3776 
1 1 1    5    9   14 o  319.621   18.160  241.229   27.093  227.709   38.315  254.750   38.316  310.569   26.398  328.672   24.944 -18.10303 36.31917 
1 1 1    5    9   15 o  230.483   16.227  122.150   16.616  134.315   28.892  116.138   20.311  238.626   25.907  222.340   19.546 16.28557 32.45353 
1 1 1    5    9   16 o  413.301   21.453  404.621   41.366  431.929   58.516  377.343   58.484  427.429   29.293  399.172   31.350 28.25754 42.90578 
1 1 1    5    9   17 o  928.234   64.698  2228.40  263.855  2200.33  323.172  2284.52  456.963  936.111   73.869  920.358  106.238 15.75293 129.3958 
1 1 1    5    9   18 o  918.274   51.275  2113.74  219.841  2014.98  310.898  2212.50  310.907  895.262   74.306  941.286   70.675 -46.02411 102.5494 
1 1 1    5    9   19 o  524.924   41.258  674.887  101.058  633.404  142.925  716.362  142.911  508.014   60.199  541.833   56.436 -33.81870 82.51638 
1 1 1    5    9   20 o  706.752   49.709  1342.47  145.752  1514.49  178.503  998.352  252.468  792.169   48.215  621.334   86.944 170.8351 99.41782 
1 1 1    5    9   21 o  759.515   88.050  1498.22  312.540   0.0000   0.0000  1498.22  312.540  ?   ?   759.515   88.050      ?      ? 
1 1 1    5    9   22 o  904.744   72.270  2208.52  302.647  1901.26  427.894  2516.10  428.122  832.075  110.035  977.413   93.723 -145.3382 144.5397 
1 1 1    5    9   24 o  633.481   71.832  1013.88  212.664  1013.88  212.664   0.0000   0.0000  633.481   71.832  ?   ?       ?      ? 
1 1 1    5    9   25 o  534.838   45.162  722.754  112.110  632.526  158.630  812.795  158.465  498.757   68.054  570.919   59.390 -72.16229 90.32463 
1 1 1    5    9   26 o  444.217   24.102  474.076   49.694  411.340   70.242  536.939   70.313  413.973   36.306  474.461   31.710 -60.48862 48.20434 
1 1 1    5    9   27 o  273.452   15.723  176.831   20.032  160.345   28.245  193.515   28.414  260.483   23.201  286.420   21.227 -25.93790 31.44673 
1 1 1    5    9   28 o  135.544   10.137   44.149   6.1899   47.608   7.9632   38.867   9.8389  142.507   11.957  128.582   16.373 13.92545 20.27389 
1 1 1    5    9   29 o  317.401   17.842  239.494   26.366  263.155   37.280  215.814   37.295  333.359   23.929  301.442   26.473 31.91647 35.68464 
1 1 1    5    9   30 o  430.379   19.715  441.800   38.785  445.440   50.045  436.325   61.373  433.449   24.705  427.310   30.732 6.138947 39.43092 
1 1 1    5    9   31 o  533.628   43.558  734.854  108.161  663.004  152.879  806.863  153.047  504.816   64.800  562.440   58.225 -57.62451 87.11546 
1 1 1    5    9   32 o  178.539   12.501   75.791   10.313   63.304   14.677   87.969   14.494  163.749   19.178  193.329   16.041 -29.58002 25.00288 
1 1 1    5    9   33 o  296.791   21.622  211.743   28.194  210.358   48.879  212.434   34.514  294.703   35.489  298.879   24.709 -4.175659 43.24350 
1 1 1    5    9   34 o  248.761   13.237  145.991   15.084  143.636   19.423  149.570   23.945  246.562   16.855  250.960   20.416 -4.397995 26.47488 
1 1 1    5    9   35 o  256.917   12.949  155.606   15.252  151.374   19.625  162.062   24.238  252.889   16.605  260.946   19.875 -8.056931 25.89871 
1 1 1    5    9   36 o  486.520   24.059  578.147   53.819  550.034   69.463  620.369   85.127  473.851   31.367  499.190   36.489 -25.33810 48.11749 
1 1 1    5    9   37 o  147.310   11.669   51.437   8.0116   56.423   11.435   46.628   11.228  154.405   15.846  140.215   17.135 14.19037 23.33858 
1 1 1    5    9   38 o  158.943   11.514   62.759   8.0595   71.033   10.291   49.634   12.961  173.591   12.685  144.295   19.220 29.29633 23.02824 
1 1 1    5    9   39 o  324.444   25.432  285.646   31.416  305.709   36.281  225.533   62.803  356.560   21.773  292.328   45.969 64.23236 50.86447 
1 1 1    5    9   40 o  224.262   17.007  120.819   16.814  117.674   20.517  127.250   29.340  221.304   19.837  227.221   27.629 -5.916138 34.01305 
1 1 1    5    9   41 o  160.991   18.759   66.285   13.352   48.226   19.127   83.450   18.647  136.327   30.753  185.655   21.491 -49.32796 37.51813 
1 1 1    5    9   42 o  213.988   19.224  110.200   19.225   0.0000   0.0000  110.200   19.225  ?   ?   213.988   19.224      ?      ? 
1 1 1    5    9   43 o   39.374   18.028  -4.8254   7.4702   0.0000   0.0000  -4.8254   7.4702  ?   ?    39.374   18.028      ?      ? 
1 1 1    5    9   44 o   87.585   13.639   19.111   5.0298   19.438   5.9083   18.249   9.5870   90.364   13.990   84.806   23.418 5.558075 27.27842 
1 1 1    5    9   45 o  219.158   17.485  118.749   16.802  122.323   29.393  117.014   20.477  219.236   28.687  219.081   20.000 0.1552887 34.97021 
1 1 1    5    9   46 o   68.345   11.509   10.086   4.1650   2.5350   5.4533   20.656   6.4522   43.923   17.560   92.766   14.882 -48.84299 23.01816 
1 1 1    5    9   47 o  146.154   11.946   51.378   8.0344   64.332   11.808   40.209   10.964  163.634   15.440  128.673   18.232 34.96077 23.89134 
1 1 1    5    9   48 o   77.197   13.222   14.878   4.7896   10.807   6.5334   19.607   7.0423   65.897   19.696   88.496   17.646 -22.59813 26.44493 
1 1 1    5    9   49 o   68.639   14.173   11.842   4.9371   8.6738   7.0084   14.962   6.9562   60.737   20.653   76.541   19.416 -15.80388 28.34693 
1 1 1    5    9   50 o  148.818   10.859   52.281   7.4388   41.745   9.7564   66.911   11.497  131.159   15.917  166.478   14.777 -35.31989 21.71831 
1 1 1    5    9   51 o  150.280   16.553   61.630   9.3134   65.610   10.781   49.921   18.491  165.198   13.964  135.362   30.016 29.83565 33.10538 
1 1 1    5    9   52 o  202.441   12.399  101.397   11.440  107.168   14.924   93.174   17.815  210.624   15.161  194.259   19.623 16.36536 24.79767 
1 1 1    5    9   53 o  216.028   13.433  119.082   12.959  134.274   16.847   97.066   20.282  235.496   15.308  196.559   22.078 38.93701 26.86584 
1 1 1    5    9   54 o  129.207   12.411   41.148   7.4898   43.167   10.778   39.262   10.416  132.317   17.429  126.097   17.674 6.220047 24.82238 
1 1 1    5    9   55 o   64.854   14.698   9.8847   5.4224   15.646   7.6673   4.1200   7.6697   77.595   20.743   52.113   20.828 25.48187 29.39545 
1 1 1    5    9   56 o   91.684   17.384   21.406   7.1763   21.406   7.1763   0.0000   0.0000   91.684   17.384  ?   ?       ?      ? 
1 1 1    5    9   57 o   81.644   25.898   18.128   11.094   0.0000   0.0000   18.128   11.094  ?   ?    81.644   25.898      ?      ? 
1 1 1    5    9   58 o  148.340   18.864   55.675   13.078   0.0000   0.0000   55.675   13.078  ?   ?   148.340   18.864      ?      ? 
1 1 1    5    9   59 o   59.871   16.442   6.4409   6.3677   11.773   10.851   3.6401   7.8642   68.923   25.466   50.820   20.804 18.10248 32.88376 
1 1 1    5    9   60 f  146.296   12.957   52.600   8.6248   46.505   10.807   63.293   14.314  135.876   17.018  156.717   19.544 -20.84149 25.91485 
1 1 1    5    9   61 o   75.054   16.504   16.357   6.6443   19.624   8.1650   9.9517   11.432   84.734   20.778   65.373   25.649 19.36118 33.00879 
1 1 1    5    9   62 o  104.799   17.085   30.366   7.4814   28.904   8.7379   34.382   14.481  104.200   18.627  105.399   28.648 -1.199226 34.17091 
1 1 1    5    9   63 o   43.450   14.345  -7.0685   7.1080 -11.1487   9.3581  -1.5044   10.928   37.491   18.053   49.409   22.298 -11.91808 28.68995 
1 1 1    5    9   64 o   52.653   16.042   3.7577   7.1467   3.9919   9.6710   3.4760   10.608   52.268   22.335   53.038   23.032 -0.7698936 32.08339 
1 1 1    5    9   65 o   64.809   17.771   7.5918   6.9987   22.941   14.026   2.5028   8.0760   82.173   29.143   47.445   20.346 34.72755 35.54210 
1 1 1    5    9   66 o   67.974   14.609   14.199   5.5444   19.278   7.2680   7.1295   8.5752   81.688   19.338   54.261   21.904 27.42717 29.21839 
1 1 1    5    9   67 o   53.092   14.778   7.5650   5.3621   7.3935   7.1969   7.7789   8.0391   52.446   20.414   53.738   21.373 -1.291153 29.55552 
1 1 1    5    9   68 o   83.109   16.387   23.050   6.6813   28.128   9.8348   18.698   9.1049   92.510   22.876   73.709   23.470 18.80050 32.77439 
1 1 1    5    9   69 o   41.038   13.059   0.5249   5.2783  -1.8892   8.2853   2.1740   6.8478   39.980   18.548   42.096   18.389 -2.116398 26.11871 
1 1 1    5    9   70 o   60.290   15.807   12.876   5.9688   16.557   8.8771   9.8388   8.0636   66.330   23.215   54.250   21.460 12.07960 31.61374 
1 1 1    5   10    0 o   61.667   10.245   10.245   3.6278   10.245   3.6278   10.245   3.6278   61.667   14.488   61.667   14.488 -0.000000 0.000000 
1 1 1    5   10    1 o  340.735   18.597  279.192   29.096  338.298   41.174  220.241   41.121  377.800   23.320  303.671   28.974 74.12875 37.19305 
1 1 1    5   10    2 o  235.527   13.646  131.432   14.919  149.084   21.122  113.856   21.076  251.527   17.968  219.528   20.542 31.99921 27.29174 
1 1 1    5   10    3 o  457.559   23.430  506.046   49.601  425.810   70.125  586.379   70.168  420.019   35.724  495.099   30.325 -75.08038 46.85975 
1 1 1    5   10    4 o  137.854   10.732   42.152   6.1019   50.076   12.318   39.575   7.0243  145.789   18.079  129.919   11.569 15.86983 21.46370 
1 1 1    5   10    5 o  256.952   12.958  154.897   15.270  158.909   24.166  152.230   19.701  259.520   19.925  254.384   16.572 5.135330 25.91566 
1 1 1    5   10    6 o  229.512   15.117  123.729   16.215   0.0000   0.0000  123.729   16.215  ?   ?   229.512   15.117      ?      ? 
1 1 1    5   10    7 o  330.083   24.516  270.543   34.821  234.643   60.345  288.463   42.635  311.311   41.477  348.854   26.151 -37.54288 49.03231 
1 1 1    5   10    8 o  240.138   15.527  131.179   16.660  152.167   28.885  120.717   20.393  253.775   24.355  226.501   19.265 27.27403 31.05316 
1 1 1    5   10    9 o  454.558   31.909  504.439   63.418  514.177   77.656  484.940  109.884  464.036   35.808  445.080   52.827 18.95544 63.81898 
1 1 1    5   10   10 o  306.382   16.849  223.249   23.795  181.064   33.632  265.526   33.669  276.890   25.990  335.874   21.450 -58.98361 33.69802 
1 1 1    5   10   11 o  303.396   21.582  215.417   29.016  209.907   35.554  226.404   50.208  298.281   25.505  308.512   34.822 -10.23114 43.16357 
1 1 1    5   10   12 o  214.112   18.430  109.028   18.206   89.071   25.722  129.063   25.771  194.131   28.350  234.094   23.556 -39.96214 36.85983 
1 1 1    5   10   13 o  312.603   24.961  232.909   36.303  257.919   51.351  207.919   51.330  329.714   33.325  295.491   37.170 34.22223 49.92125 
1 1 1    5   10   14 o  818.260   76.389  2028.84  235.912  1256.10  408.579  2415.31  288.944  645.822  139.451  990.698   62.406 -344.8757 152.7782 
1 1 1    5   10   15 o  288.835   15.315  199.648   20.108  146.623   28.410  252.874   28.465  249.481   24.367  328.190   18.558 -78.70831 30.62913 
1 1 1    5   10   16 o  773.357   49.453  1456.86  169.927  1606.98  294.399  1381.85  208.090  795.667   79.170  751.047   59.285 44.62000 98.90695 
1 1 1    5   10   17 o  344.562   17.878  279.910   28.787  275.608   40.729  284.204   40.692  341.891   25.490  347.233   25.075 -5.341522 35.75632 
1 1 1    5   10   18 o  804.628   46.272  1604.39  173.973  1637.34  246.037  1571.44  246.034  813.390   64.723  795.867   66.147 17.52386 92.54483 
1 1 1    5   10   19 o  224.351   15.425  119.670   15.249  114.584   26.092  122.309   18.792  220.428   25.328  228.275   17.615 -7.846710 30.85098 
1 1 1    5   10   20 o  171.564   18.388   71.524   14.139   82.048   19.437   59.696   20.605  186.713   22.274  156.415   29.263 30.29819 36.77592 
1 1 1    5   10   21 o  171.039   21.892   68.832   17.499   68.832   17.499   0.0000   0.0000  171.039   21.892  ?   ?       ?      ? 
1 1 1    5   10   23 o  362.747   40.705  316.451   69.007  316.451   69.007   0.0000   0.0000  362.747   40.705  ?   ?       ?      ? 
1 1 1    5   10   24 o  172.233   23.499   70.089   18.915   70.089   18.915   0.0000   0.0000  172.233   23.499  ?   ?       ?      ? 
1 1 1    5   10   25 o  452.903   24.508  493.415   51.490  560.940   72.827  425.922   72.809  484.796   32.143  421.010   37.004 63.78580 49.01528 
1 1 1    5   10   26 o  343.835   20.071  281.028   32.252  281.516   45.559  280.539   45.662  344.145   28.326  343.524   28.442 0.6215210 40.14142 
1 1 1    5   10   27 o  158.476   13.363   57.945   9.2123   55.926   11.064   62.508   16.635  154.288   15.344  162.663   21.882 -8.374847 26.72554 
1 1 1    5   10   28 o  532.172   27.674  688.845   68.228  587.364   96.435  790.556   96.544  491.334   41.997  573.011   36.051 -81.67691 55.34798 
1 1 1    5   10   29 o  645.737   32.748  1021.47   96.934  1004.52  125.131  1046.93  153.284  642.115   41.697  649.360   50.509 -7.244812 65.49670 
1 1 1    5   10   30 o  428.265   28.151  445.009   48.580  442.863   56.055  451.484   97.372  430.771   27.844  425.759   48.936 5.012543 56.30248 
1 1 1    5   10   31 o  491.535   26.643  545.039   54.516  499.299   62.920  682.780  109.189  456.759   29.475  526.310   44.391 -69.55176 53.28562 
1 1 1    5   10   32 o  535.992   25.585  680.576   63.211  596.661   81.574  806.684  100.001  496.208   35.176  575.776   37.163 -79.56729 51.17044 
1 1 1    5   10   33 o  275.983   17.960  180.508   20.054  178.394   23.121  186.927   40.291  274.503   18.022  277.463   31.072 -2.959534 35.92014 
1 1 1    5   10   34 o  337.979   18.083  277.324   27.829  285.756   35.909  264.645   44.034  345.698   22.226  330.261   28.529 15.43680 36.16534 
1 1 1    5   10   35 o  203.523   16.294  102.602   12.941  105.588   14.840   93.123   26.443  211.400   15.020  195.646   28.920 15.75378 32.58765 
1 1 1    5   10   36 o  129.572   13.945   42.574   6.7558   44.274   7.7372   37.120   13.859  137.139   12.072  122.004   25.143 15.13493 27.89088 
1 1 1    5   10   37 o  376.060   21.481  347.137   37.743  338.377   53.380  355.894   53.373  371.075   30.780  381.045   29.971 -9.969543 42.96165 
1 1 1    5   10   38 o  142.745   9.7518   46.268   6.3580   39.556   8.0188   57.633   10.434  129.414   13.258  156.076   14.304 -26.66191 19.50351 
1 1 1    5   10   39 o  186.518   12.683   83.225   11.041   87.829   15.590   78.592   15.639  191.824   17.390  181.213   18.466 10.61046 25.36579 
1 1 1    5   10   40 o   41.936   13.126  -1.2813   4.5845  -0.7650   5.3550  -2.6985   8.8715   37.600   16.346   46.272   20.542 -8.672264 26.25225 
1 1 1    5   10   41 o  253.825   31.932  162.871   37.880   0.0000   0.0000  162.871   37.880  ?   ?   253.825   31.932      ?      ? 
1 1 1    5   10   42 o   55.793   21.859   4.8352   8.2932   0.0000   0.0000   4.8352   8.2932  ?   ?    55.793   21.859      ?      ? 
1 1 1    5   10   43 o  111.286   15.356   33.337   7.1704   37.760   8.7204   24.104   12.599  125.822   14.830   96.751   26.893 29.07146 30.71124 
1 1 1    5   10   44 o  147.317   14.957   55.022   9.3848   58.016   11.660   49.513   15.815  155.458   16.048  139.177   25.244 16.28139 29.91322 
1 1 1    5   10   45 o  102.090   13.183   26.623   5.9839   37.736   8.5150   15.779   8.4109  125.495   14.518   78.685   22.010 46.81056 26.36684 
1 1 1    5   10   46 o   91.606   11.750   20.626   4.8570   20.859   6.4093   20.311   7.4438   93.272   14.703   89.941   18.331 3.331589 23.49928 
1 1 1    5   10   47 o  295.561   16.343  218.952   21.984  226.257   28.422  208.071   34.687  303.976   20.007  287.147   25.847 16.82895 32.68567 
1 1 1    5   10   48 o   45.022   12.724   2.4602   4.0381   1.0590   5.3286   4.3504   6.1891   40.461   16.896   49.583   19.030 -9.122276 25.44827 
1 1 1    5   10   49 o   72.263   13.643   13.408   4.8462   17.492   6.7438   9.0459   6.9688   83.069   17.899   61.458   20.596 21.61114 27.28694 
1 1 1    5   10   50 o   60.919   13.760   8.6937   4.4873   6.0535   6.0109   12.017   6.7442   53.009   19.048   68.829   19.863 -15.82005 27.52061 
1 1 1    5   10   51 o   51.042   12.315   3.8810   4.0971  -2.2737   5.5661   11.159   6.0529   35.670   16.023   66.413   18.705 -30.74316 24.62903 
1 1 1    5   10   52 o   74.466   10.219   11.252   4.7209  -6.5192   6.4491   31.769   6.9294   33.727   15.878  115.204   12.870 -81.47662 20.43889 
1 1 1    5   10   53 o  132.944   12.189   43.638   7.5381   48.035   10.628   39.187   10.693  140.086   16.234  125.803   18.187 14.28355 24.37875 
1 1 1    5   10   54 o  117.387   11.759   33.884   6.3506   34.768   8.3592   32.677   9.7662  119.718   14.940  115.056   18.163 4.662041 23.51791 
1 1 1    5   10   55 o   98.388   13.958   25.872   6.2573   15.507   9.0879   35.214   8.6283   76.727   23.297  120.049   15.379 -43.32248 27.91522 
1 1 1    5   10   56 o  114.199   15.763   32.904   7.8575   28.341   9.7470   41.374   13.279  104.010   20.779  124.388   23.708 -20.37752 31.52533 
1 1 1    5   10   57 f  102.958   27.342   29.976   13.378   0.0000   0.0000   29.976   13.378  ?   ?   102.958   27.342      ?      ? 
1 1 1    5   10   58 o  135.842   19.604   52.240   12.222   43.381   17.353   60.962   17.217  120.856   30.671  150.827   24.426 -29.97014 39.20871 
1 1 1    5   10   59 o  100.795   16.186   27.784   6.8624   28.240   7.9992   26.512   13.355  106.367   16.091   95.223   28.089 11.14395 32.37153 
1 1 1    5   10   60 f   55.718   15.126   5.1199   5.8445   11.673   8.7160  -0.2337   7.8781   66.708   23.022   44.728   19.627 21.98037 30.25282 
1 1 1    5   10   61 o   47.522   15.189  -2.6781   7.4123   2.3519   9.2371 -11.7746   12.422   50.697   21.750   44.346   21.208 6.350658 30.37808 
1 1 1    5   10   62 o   76.478   14.494   13.665   6.4816   30.613   9.7603   0.2938   8.6691  106.112   20.423   46.844   20.571 59.26778 28.98717 
1 1 1    5   10   63 o   99.496   15.689   28.745   7.1198   24.509   10.507   32.341   9.6817   90.544   24.315  108.448   19.833 -17.90340 31.37815 
1 1 1    5   10   64 o   46.587   13.911   3.0147   5.1949   2.9369   7.1886   3.0998   7.5158   46.142   19.467   47.032   19.877 -0.8900261 27.82230 
1 1 1    5   10   65 o   68.120   15.091   13.557   5.3882   11.684   7.6853   15.369   7.5564   63.721   21.628   72.519   21.053 -8.797745 30.18297 
1 1 1    5   10   66 o   37.916   12.144  -1.2944   4.6724  -3.2613   6.6339   0.6418   6.5820   35.532   16.522   40.300   17.802 -4.768105 24.28765 
1 1 1    5   10   67 o   43.102   12.941   2.7148   4.4783   4.8889   7.0175   1.2210   5.8167   47.243   19.530   38.960   16.986 8.283096 25.88286 
1 1 1    5   10   68 o   39.147   12.462  -0.8003   4.9475   3.0542   6.8976  -4.8848   7.1004   43.722   18.777   34.571   16.390 9.151291 24.92447 
1 1 1    5   10   69 o   44.761   13.588   3.3341   5.3523  -1.4181   7.8256   7.5109   7.3366   38.921   18.046   50.601   20.319 -11.67955 27.17509 
1 1 1    5   11    0 o  501.386   27.684  605.530   90.455  605.530   90.455  605.530   90.455  501.386   39.152  501.386   39.152 -0.000000 0.000000 
1 1 1    5   11    1 o  702.234   34.655  1199.87  113.591  1133.12  160.635  1266.62  160.649  681.895   50.406  722.572   47.572 -40.67712 69.30983 
1 1 1    5   11    2 o  444.317   29.293  470.797   57.487  485.977   99.575  463.209   70.406  447.672   47.594  440.962   34.164 6.709778 58.58585 
1 1 1    5   11    3 f  356.743   19.621  301.225   32.694  313.489   46.269  288.997   46.202  364.085   27.192  349.401   28.294 14.68399 39.24255 
1 1 1    5   11    4 o  177.950   13.380   75.272   9.5517   72.737   19.166   76.110   11.017  175.671   23.345  180.230   13.080 -4.558762 26.75972 
1 1 1    5   11    5 o  458.860   26.497  473.225   50.432  568.044  100.928  441.671   58.222  485.718   44.461  432.001   28.838 53.71722 52.99470 
1 1 1    5   11    6 o  323.281   20.364  245.909   26.665  249.897   53.364  244.582   30.784  324.038   35.238  322.524   20.423 1.514465 40.72871 
1 1 1    5   11    7 o  645.601   39.963  1001.30  104.769  1055.85  209.581  983.131  120.969  650.112   68.980  641.091   40.375 9.020508 79.92698 
1 1 1    5   11    8 o  302.261   24.492  215.303   34.598   0.0000   0.0000  215.303   34.598  ?   ?   302.261   24.492      ?      ? 
1 1 1    5   11    9 o  377.298   17.783  329.097   30.924  374.245   48.901  299.011   39.920  398.296   26.271  356.300   23.973 41.99594 35.56506 
1 1 1    5   11   10 o  218.486   12.332  113.674   12.235  104.401   19.322  119.882   15.808  210.817   19.611  226.155   14.957 -15.33839 24.66338 
1 1 1    5   11   11 o  412.529   20.462  411.643   38.081  361.100   60.187  445.383   49.175  390.215   33.003  434.843   24.197 -44.62817 40.92346 
1 1 1    5   11   12 o  352.246   20.371  293.231   33.535  293.955   47.423  292.507   47.428  352.686   28.771  351.806   28.846 0.8802490 40.74194 
1 1 1    5   11   13 o  512.131   38.228  687.098   81.582  510.266  141.301  775.520   99.918  453.652   66.647  570.610   37.468 -116.9584 76.45679 
1 1 1    5   11   14 o  495.014   23.032  584.534   52.764  491.913   74.598  677.264   74.641  454.956   35.084  535.071   29.849 -80.11475 46.06353 
1 1 1    5   11   15 o  320.127   18.641  244.122   27.470  292.348   38.863  195.969   38.834  352.336   23.601  287.919   28.860 64.41721 37.28163 
1 1 1    5   11   16 o  877.515   44.832  1904.46  183.402  2050.86  259.377  1758.09  259.363  913.208   60.774  841.822   65.924 71.38525 89.66329 
1 1 1    5   11   17 o  165.678   13.188   64.026   9.7454   65.921   16.566   63.023   12.051  167.421   21.172  163.934   15.730 3.486771 26.37601 
1 1 1    5   11   18 o  201.231   25.272   95.499   23.768   0.0000   0.0000   95.499   23.768  ?   ?   201.231   25.272      ?      ? 
1 1 1    5   11   19 o  531.386   58.891  692.782  146.252  692.782  146.252   0.0000   0.0000  531.386   58.891  ?   ?       ?      ? 
1 1 1    5   11   21 o  444.545   49.514  481.272  102.870  481.272  102.870   0.0000   0.0000  444.545   49.514  ?   ?       ?      ? 
1 1 1    5   11   22 o  483.189   54.365  577.555  122.766  577.555  122.766   0.0000   0.0000  483.189   54.365  ?   ?       ?      ? 
1 1 1    5   11   23 o  374.760   30.465  370.103   47.296  266.741   81.864  421.891   57.945  328.362   53.345  421.159   29.440 -92.79721 60.92944 
1 1 1    5   11   24 o  716.323   42.074  1288.81  140.782  1332.95  199.093  1244.66  199.100  729.510   58.396  703.135   60.588 26.37476 84.14880 
1 1 1    5   11   25 o  889.233   60.847  2075.35  241.292  1894.70  295.479  2436.95  418.049  849.235   74.448  929.232   96.263 -79.99658 121.6931 
1 1 1    5   11   26 o  782.951   62.258  1562.07  227.810  1562.07  227.810   0.0000   0.0000  782.951   62.258  ?   ?       ?      ? 
1 1 1    5   11   27 o  352.089   19.810  295.067   32.594  289.659   46.044  300.498   46.146  348.803   28.245  355.375   27.785 -6.572510 39.62053 
1 1 1    5   11   28 o  163.887   11.355   63.463   8.6397   71.673   12.204   55.214   12.233  174.633   14.953  153.141   17.092 21.49194 22.70997 
1 1 1    5   11   29 o   85.459   14.751   17.573   5.3284   17.336   6.2035   18.238   10.406   84.412   16.315   86.506   24.581 -2.094353 29.50272 
1 1 1    5   11   30 o  484.617   28.586  534.085   62.191  437.086   76.093  729.232  107.930  423.943   38.406  545.291   42.352 -121.3478 57.17236 
1 1 1    5   11   31 o  120.219   10.968   34.267   6.1189   37.617   8.4774   30.624   8.8409  126.461   14.344  113.976   16.597 12.48498 21.93666 
1 1 1    5   11   32 o  213.713   13.087  108.248   13.067  104.440   18.285  112.223   18.679  209.850   18.645  217.576   18.370 -7.725861 26.17387 
1 1 1    5   11   33 o  114.202   13.143   27.515   6.3535   22.242   7.4162   42.064   12.318   95.476   17.256  132.928   19.828 -37.45173 26.28517 
1 1 1    5   11   34 o  235.922   13.071  131.589   14.127  128.950   18.176  135.615   22.451  233.315   16.669  238.528   20.139 -5.212723 26.14275 
1 1 1    5   11   35 o  187.082   10.618   79.864   9.1200   66.408   11.683  100.854   14.592  167.624   14.914  206.541   15.117 -38.91718 21.23506 
1 1 1    5   11   36 o  126.789   13.604   35.069   7.5017   27.378   9.0310   52.188   13.473  105.676   18.984  147.901   19.492 -42.22490 27.20897 
1 1 1    5   11   37 o   34.795   10.641  -0.6233   3.2159   1.4625   3.8829  -5.1791   5.7387   36.659   14.760   32.932   15.331 3.727421 21.28146 
1 1 1    5   11   38 f  164.342   16.347   70.490   9.8882   74.095   11.321   58.890   20.307  176.882   13.695  151.803   29.687 25.07986 32.69376 
1 1 1    5   11   39 o  295.892   24.518  236.409   30.406  260.635   37.210  187.727   52.747  326.476   24.387  265.308   42.541 61.16791 49.03551 
1 1 1    5   11   40 o  250.873   22.430  158.962   26.297  159.486   37.052  158.430   37.328  251.399   31.536  250.347   31.904 1.051544 44.85962 
1 1 1    5   11   42 o   66.977   23.348   10.097   8.9755   0.0000   0.0000   10.097   8.9755  ?   ?    66.977   23.348      ?      ? 
1 1 1    5   11   43 o  231.401   14.737  121.930   14.157  112.267   16.330  151.167   28.405  216.233   16.160  246.569   24.650 -30.33611 29.47431 
1 1 1    5   11   44 o  137.263   12.182   49.657   6.9307   59.782   8.8896   33.963   11.067  158.593   11.994  115.934   21.207 42.65893 24.36410 
1 1 1    5   11   45 o  112.187   11.641   30.676   5.8854   24.739   8.0860   37.364   8.5826   99.564   18.042  124.811   14.714 -25.24696 23.28099 
1 1 1    5   11   46 o  150.142   11.967   54.545   8.3744   59.038   11.844   50.052   11.842  156.544   16.189  143.739   17.629 12.80560 23.93436 
1 1 1    5   11   47 o   87.615   15.547   21.410   6.6594   26.667   8.1088   10.520   11.672  104.892   16.541   70.337   26.328 34.55421 31.09330 
1 1 1    5   11   48 o   54.147   13.908   6.0824   4.5389   4.8348   6.0796   7.6535   6.8222   50.281   18.965   58.012   20.348 -7.730659 27.81603 
1 1 1    5   11   49 o   41.923   11.992   0.7297   4.0694   5.2345   5.2945  -5.7730   6.3611   49.650   17.873   34.195   15.993 15.45535 23.98386 
1 1 1    5   11   50 o   62.955   13.804   9.2738   4.4550   6.9127   5.7123   12.939   7.1176   54.670   18.646   71.240   20.360 -16.56991 27.60787 
1 1 1    5   11   51 o  243.495   13.323  142.339   14.942  126.810   19.241  165.934   23.718  227.616   18.088  259.374   19.566 -31.75847 26.64589 
1 1 1    5   11   52 o  155.544   11.102   58.722   7.9206   57.679   10.233   60.280   12.511  154.421   14.179  156.667   17.087 -2.245560 22.20322 
1 1 1    5   11   53 o  102.298   13.761   26.665   6.3309   28.887   9.2458   24.704   8.6869  106.459   19.293   98.136   19.626 8.323219 27.52137 
1 1 1    5   11   54 o   97.718   12.694   24.641   5.5276   27.891   7.3325   20.362   8.4127  107.139   14.644   88.297   20.740 18.84189 25.38860 
1 1 1    5   11   55 o   48.804   13.585   4.0203   4.4249   4.0999   5.5365   3.8797   7.3624   46.972   18.006   50.635   20.347 -3.663288 27.16977 
1 1 1    5   11   56 o   69.027   18.190   11.272   7.8373   11.741   11.624   10.882   10.612   70.231   26.277   67.824   25.160 2.407486 36.37989 
1 1 1    5   11   58 o   71.034   15.679   9.2392   8.1295 -15.4127   12.588   26.876   10.648   43.256   20.856   98.812   23.415 -55.55610 31.35706 
1 1 1    5   11   59 o   93.868   17.682   25.345   7.8553   27.067   10.033   22.617   12.628   99.617   22.125   88.120   27.588 11.49655 35.36428 
1 1 1    5   11   60 f   81.508   15.675   19.532   6.4954   11.499   10.194   25.023   8.4279   66.490   24.660   96.525   19.356 -30.03527 31.34940 
1 1 1    5   11   61 o   79.416   16.168   17.918   6.3964   14.982   9.1091   20.774   8.9840   72.896   23.504   85.935   22.209 -13.03851 32.33673 
1 1 1    5   11   62 o  100.534   12.115   26.219   5.5339   30.778   8.2032   22.411   7.4967  109.712   15.999   91.357   18.198 18.35500 24.23055 
1 1 1    5   11   63 o   71.574   14.325   14.927   5.0459   12.947   7.6269   16.469   6.7290   66.654   21.508   76.494   18.926 -9.839355 28.64973 
1 1 1    5   11   64 o   70.518   13.312   13.513   5.2681   3.2706   7.4412   23.805   7.4593   47.410   19.893   93.627   17.696 -46.21698 26.62491 
1 1 1    5   11   65 f   39.208   12.161  -1.2574   4.5611  -6.6811   6.3402   4.5603   6.5665   31.439   15.066   46.977   19.095 -15.53752 24.32257 
1 1 1    5   11   66 o   73.175   14.654   16.156   5.3254   11.818   7.0540   21.905   8.1208   61.880   20.722   84.470   20.726 -22.58982 29.30836 
1 1 1    5   11   67 o   39.568   12.499   0.4070   4.7241  -0.4966   6.5791   1.3689   6.7875   38.083   17.234   41.052   18.109 -2.968948 24.99867 
1 1 1    5   11   68 o   43.469   12.936   3.3966   4.4712   5.6755   6.7263   1.5923   5.9850   47.528   19.323   39.411   17.205 8.117329 25.87255 
1 1 1    5   11   69 o   45.596   13.131   4.3399   5.0037  -3.6514   7.8592   9.7870   6.4887   36.487   17.283   54.705   19.774 -18.21869 26.26173 
1 1 1    5   12    0 o  583.040   30.170  816.739  114.828  816.739  114.828  816.739  114.828  583.040   42.666  583.040   42.666 -0.000000 0.000000 
1 1 1    5   12    1 o  177.834   11.323   74.199   9.4034   70.819   13.300   77.579   13.297  173.768   16.377  181.901   15.641 -8.133713 22.64652 
1 1 1    5   12    2 o  351.064   20.509  270.748   32.317  372.552   56.079  220.131   39.543  396.806   30.240  305.322   27.712 91.48508 41.01743 
1 1 1    5   12    3 o  349.774   18.540  290.257   30.024  335.811   42.496  244.852   42.426  377.593   24.081  321.954   28.197 55.63867 37.08041 
1 1 1    5   12    4 o  433.004   23.432  445.350   47.305  480.588   66.916  410.148   66.883  450.407   31.789  415.601   34.435 34.80533 46.86477 
1 1 1    5   12    5 o  406.117   35.732  486.471   49.242  270.763   98.425  558.489   56.871  325.426   66.949  486.808   24.997 -161.3821 71.46377 
1 1 1    5   12    6 o  140.437   11.570   46.171   7.5938   0.0000   0.0000   46.171   7.5938  ?   ?   140.437   11.570      ?      ? 
1 1 1    5   12    7 o  349.400   21.439  282.260   30.597  302.600   61.250  275.497   35.319  356.578   36.754  342.223   22.083 14.35507 42.87815 
1 1 1    5   12    8 o  434.889   28.227  446.772   57.370   0.0000   0.0000  446.772   57.370  ?   ?   434.889   28.227      ?      ? 
1 1 1    5   12    9 o  471.567   25.153  491.566   49.436  612.800   98.937  451.225   57.071  506.044   41.834  437.091   27.938 68.95325 50.30529 
1 1 1    5   12   10 o  239.216   12.911  133.552   14.182  138.462   22.413  130.273   18.316  242.768   19.754  235.663   16.630 7.104828 25.82203 
1 1 1    5   12   11 o  387.397   20.235  359.181   35.890  276.724   50.689  442.074   50.823  341.739   31.738  433.056   25.112 -91.31702 40.47084 
1 1 1    5   12   12 o  628.409   46.759  982.830  136.385  857.362  192.754  1108.62  193.002  585.657   70.423  671.161   61.531 -85.50433 93.51740 
1 1 1    5   12   13 o  163.917   13.036   61.544   9.5486   58.102   11.735   68.287   16.426  157.401   15.953  170.434   20.622 -13.03299 26.07236 
1 1 1    5   12   14 o  319.858   25.295  243.460   37.812  240.952   53.290  246.003   53.659  318.189   35.836  321.527   35.709 -3.338501 50.59044 
1 1 1    5   12   15 o  516.466   33.973  661.629   78.106  436.957  110.222  888.240  110.697  423.015   55.753  609.915   38.835 -186.9000 67.94540 
1 1 1    5   12   16 o  504.576   55.797  621.638  131.577  621.638  131.577   0.0000   0.0000  504.576   55.797  ?   ?       ?      ? 
1 1 1    5   12   17 o  262.449   30.171  163.086   37.007  163.086   37.007   0.0000   0.0000  262.449   30.171  ?   ?       ?      ? 
1 1 1    5   12   19 f  134.349   21.565   42.528   13.540   42.528   13.540   0.0000   0.0000  134.349   21.565  ?   ?       ?      ? 
1 1 1    5   12   20 o  587.181   43.465  879.052  115.710  1109.23  163.775  649.641  163.503  670.885   52.235  503.478   69.487 167.4063 86.93032 
1 1 1    5   12   21 f  203.094   14.089   93.618   12.727  108.663   22.297   86.348   15.500  214.551   22.237  191.638   17.307 22.91267 28.17803 
1 1 1    5   12   22 o  255.283   22.350  156.524   26.422  178.795   37.152  133.732   37.584  274.199   28.992  236.367   34.023 37.83202 44.70014 
1 1 1    5   12   23 o  162.103   10.603   61.957   7.9979   67.382   11.188   56.286   11.438  169.435   14.129  154.771   15.813 14.66370 21.20535 
1 1 1    5   12   24 o  562.902   31.853  776.927   83.487  850.346  118.064  703.497  118.073  590.813   42.759  534.990   47.224 55.82288 63.70558 
1 1 1    5   12   25 o  414.145   23.974  413.121   46.114  464.771   65.211  361.459   65.218  440.834   31.652  387.455   36.017 53.37830 47.94873 
1 1 1    5   12   26 o  222.598   13.536  118.551   13.743   88.848   19.383  148.575   19.488  193.898   21.390  251.299   16.594 -57.40154 27.07198 
1 1 1    5   12   27 o  361.930   21.783  300.272   35.230  270.121   43.022  361.648   61.382  336.545   27.353  387.315   33.910 -50.76999 43.56697 
1 1 1    5   12   28 o  170.591   12.005   59.842   8.9218   40.194   10.709  104.409   16.129  130.591   17.547  210.591   16.388 -79.99953 24.00984 
1 1 1    5   12   29 o  181.467   14.679   79.391   11.773   73.110   19.785   82.835   14.649  175.411   24.134  187.523   16.716 -12.11107 29.35765 
1 1 1    5   12   30 o   78.160   17.232   14.525   6.9348   14.796   9.1641   14.161   10.608   78.250   23.313   78.070   25.381 0.1805420 34.46307 
1 1 1    5   12   31 o  184.883   16.345   84.093   12.864   87.737   15.514   76.075   23.011  192.455   17.249  177.310   27.769 15.14508 32.69028 
1 1 1    5   12   32 f  352.798   22.982  297.097   36.075  278.523   44.124  334.548   62.653  338.922   27.857  366.674   36.561 -27.75195 45.96426 
1 1 1    5   12   33 o  101.852   16.838   26.583   8.3759   37.023   11.276   13.734   12.510  124.713   19.347   78.992   27.563 45.72172 33.67557 
1 1 1    5   12   34 o  278.399   16.240  188.999   20.516  137.603   28.862  241.495   29.169  238.513   25.892  318.285   19.610 -79.77242 32.47998 
1 1 1    5   12   35 o  400.786   22.650  399.916   41.842  327.356   59.093  472.871   59.254  361.973   34.932  439.599   28.841 -77.62616 45.29946 
1 1 1    5   12   36 o  242.167   12.897  138.885   14.327  134.526   18.446  145.515   22.749  237.849   16.594  246.485   19.748 -8.636200 25.79415 
1 1 1    5   12   37 o  145.101   11.201   50.012   7.5872   48.091   10.433   52.168   11.054  142.172   15.702  148.029   15.978 -5.857086 22.40191 
1 1 1    5   12   38 o  286.795   16.614  200.575   22.257  207.442   31.425  193.664   31.527  291.955   23.031  281.635   23.953 10.31949 33.22898 
1 1 1    5   12   39 o   54.033   15.096   3.3331   5.5838   0.7364   7.1081   7.5181   9.0238   45.827   19.347   62.239   23.179 -16.41223 30.19215 
1 1 1    5   12   41 o   58.303   21.941   6.4144   8.1273   6.4144   8.1273   0.0000   0.0000   58.303   21.941  ?   ?       ?      ? 
1 1 1    5   12   42 o  219.804   17.793  121.823   17.063  124.676   20.922  116.156   29.486  226.336   19.779  213.271   29.583 13.06506 35.58595 
1 1 1    5   12   43 o  324.090   17.503  263.496   25.919  263.843   33.435  262.973   41.031  326.770   21.894  321.410   27.315 5.360687 35.00661 
1 1 1    5   12   44 o  281.854   15.164  193.785   19.637  184.142   25.296  208.406   31.149  274.279   19.734  289.428   23.028 -15.14825 30.32711 
1 1 1    5   12   45 o   47.224   12.446   2.2700   3.8823  -1.4888   4.9115   8.5299   6.3383   34.534   15.310   59.914   19.626 -25.37929 24.89144 
1 1 1    5   12   46 o  121.210   10.510   34.204   5.8554   28.570   7.5214   42.873   9.3293  108.975   14.768  133.445   14.959 -24.46925 21.02079 
1 1 1    5   12   47 o  333.695   31.474  349.197   37.587  368.515   43.403  291.259   75.165  380.295   24.421  287.095   58.017 93.20023 62.94707 
1 1 1    5   12   48 o  123.723   10.601   35.567   6.0125   29.263   7.6774   45.564   9.6688  110.102   14.920  137.344   15.063 -27.24183 21.20176 
1 1 1    5   12   49 f  100.718   12.083   26.084   5.3327   30.594   7.0605   20.094   8.1367  112.929   13.378   88.507   20.126 24.42134 24.16660 
1 1 1    5   12   50 o   58.508   13.235   5.8881   5.0609  -3.9729   7.1980   15.528   7.1169   39.099   17.823   77.918   19.570 -38.81885 26.47005 
1 1 1    5   12   51 o  114.019   11.320   31.209   5.8989   29.462   7.5067   34.030   9.5380  110.321   14.560  117.716   17.337 -7.395538 22.63972 
1 1 1    5   12   52 o  164.396   10.992   63.137   8.2671   50.047   10.572   83.737   13.263  143.252   15.792  185.539   15.295 -42.28700 21.98447 
1 1 1    5   12   53 o  161.357   11.122   62.443   8.2254   58.206   10.506   69.153   13.221  154.920   14.511  167.794   16.859 -12.87384 22.24430 
1 1 1    5   12   54 o  158.410   14.097   61.034   10.437   61.034   10.437   0.0000   0.0000  158.410   14.097  ?   ?       ?      ? 
1 1 1    5   12   55 o   59.132   21.151   8.1797   7.4032   8.1797   7.4032   0.0000   0.0000   59.132   21.151  ?   ?       ?      ? 
1 1 1    5   12   56 o  154.329   29.431   68.084   20.453   68.084   20.453   0.0000   0.0000  154.329   29.431  ?   ?       ?      ? 
1 1 1    5   12   57 o   75.723   27.706   15.141   12.795   15.141   12.795   0.0000   0.0000   75.723   27.706  ?   ?       ?      ? 
1 1 1    5   12   58 o  162.544   21.376   77.481   15.718   96.379   22.761   60.254   21.731  186.631   26.096  138.456   33.864 48.17480 42.75246 
1 1 1    5   12   59 o   74.700   17.144   12.456   6.8325   26.202   12.167   6.1245   8.2576   94.256   26.509   55.144   21.747 39.11252 34.28783 
1 1 1    5   12   60 o   67.940   15.765   12.843   5.8538   10.233   9.1618   14.644   7.6098   63.244   23.394   72.635   21.139 -9.390888 31.53026 
1 1 1    5   12   61 o   52.104   15.429   3.5148   5.6320   6.6928   11.063   2.4031   6.5433   59.349   24.526   44.860   18.727 14.48901 30.85829 
1 1 1    5   12   62 o  117.176   12.101   35.989   6.6028   32.309   8.9658   40.351   9.7604  110.475   17.365  123.878   16.859 -13.40326 24.20286 
1 1 1    5   12   63 o   48.976   14.207   4.2258   5.2961   0.7886   8.4883   6.4168   6.7770   45.929   20.256   52.024   19.926 -6.095234 28.41406 
1 1 1    5   12   64 f   33.595   10.906  -4.8283   4.2709 -12.6424   6.4321   1.3337   5.7118   27.383   13.550   39.808   17.092 -12.42577 21.81137 
1 1 1    5   12   65 o   42.994   11.972   1.0418   4.2882  -7.5100   6.1484   9.1424   5.9840   29.913   14.460   56.075   19.084 -26.16231 23.94376 
1 1 1    5   12   66 o   42.920   12.021   0.6205   4.2598  -7.1632   5.7794   9.8790   6.3032   28.801   13.946   57.039   19.584 -28.23765 24.04245 
1 1 1    5   12   67 o   43.543   12.315   1.1555   4.5593  -7.7147   6.4711   9.8990   6.4247   30.349   14.711   56.736   19.755 -26.38783 24.63071 
1 1 1    5   12   68 o   41.618   12.533  -1.7049   4.9504   10.222   7.4193 -11.2758   6.6461   55.373   20.935   27.862   13.785 27.51121 25.06614 
1 1 1    5   13    0 o  543.802   29.600  711.371  104.939  711.371  104.939  711.371  104.939  543.802   41.861  543.802   41.861 -0.000000 0.000000 
1 1 1    5   13    1 o  540.938   28.599  702.105   71.805  794.859  101.571  609.440  101.523  577.607   37.627  504.269   43.078 73.33786 57.19703 
1 1 1    5   13    2 o  437.493   19.772  441.223   39.870  520.627   63.089  388.425   51.445  469.340   28.762  405.647   27.136 63.69336 39.54313 
1 1 1    5   13    3 o  525.854   27.375  659.683   67.257  677.929   95.138  641.454   95.093  533.272   38.173  518.435   39.248 14.83685 54.75018 
1 1 1    5   13    4 o  194.391   14.325   86.733   12.404   82.303   15.200   95.563   21.460  187.281   17.366  201.501   22.788 -14.22003 28.65092 
1 1 1    5   13    5 o  439.250   30.498  473.533   58.130  430.952  100.673  494.830   71.198  421.853   51.063  456.647   33.361 -34.79425 60.99542 
1 1 1    5   13    6 o  568.548   36.576  775.330   91.940  809.656  159.257  758.170  112.600  574.663   59.298  562.433   42.837 12.22955 73.15275 
1 1 1    5   13    7 f  298.138   17.619  191.997   23.495  283.658   40.825  146.602   28.730  346.866   25.184  249.411   24.648 97.45546 35.23827 
1 1 1    5   13    8 o  316.415   22.813  235.677   33.736   0.0000   0.0000  235.677   33.736  ?   ?   316.415   22.813      ?      ? 
1 1 1    5   13    9 o  466.950   32.418  517.155   70.746   0.0000   0.0000  517.155   70.746  ?   ?   466.950   32.418      ?      ? 
1 1 1    5   13   10 o  162.969   22.257   62.504   16.952   0.0000   0.0000   62.504   16.952  ?   ?   162.969   22.257      ?      ? 
1 1 1    5   13   11 o  156.484   21.498   57.603   15.722   0.0000   0.0000   57.603   15.722  ?   ?   156.484   21.498      ?      ? 
1 1 1    5   13   12 o  441.530   48.845  471.264  100.791   0.0000   0.0000  471.264  100.791  ?   ?   441.530   48.845      ?      ? 
1 1 1    5   13   16 o  227.718   20.851  124.638   21.769   97.721   30.918  151.100   30.655  202.626   32.649  252.811   25.945 -50.18488 41.70278 
1 1 1    5   13   17 o  367.273   27.284  326.840   46.185  388.813   65.475  265.467   65.157  403.178   34.748  331.368   42.074 71.81058 54.56763 
1 1 1    5   13   18 o  259.021   18.742  162.501   21.143  149.063   36.516  169.278   25.932  250.070   31.245  267.971   20.706 -17.90038 37.48344 
1 1 1    5   13   19 o  447.221   35.648  479.689   74.508   0.0000   0.0000  479.689   74.508  ?   ?   447.221   35.648      ?      ? 
1 1 1    5   13   20 o  624.988   33.309  960.064   96.505  825.666  136.446  1094.59  136.512  578.960   50.428  671.015   43.531 -92.05554 66.61732 
1 1 1    5   13   21 o  311.427   25.185  233.206   36.622  221.469   51.673  245.052   51.911  303.346   36.448  319.508   34.765 -16.16187 50.36930 
1 1 1    5   13   22 o  194.701   11.821   89.153   10.754   86.342   15.129   92.023   15.289  191.587   16.897  197.816   16.537 -6.229111 23.64275 
1 1 1    5   13   23 f  201.513   17.292  102.644   14.671   80.074   25.573  113.716   17.911  183.208   29.867  219.818   17.435 -36.60968 34.58338 
1 1 1    5   13   24 f  654.490   37.415  1072.39  113.950  1180.01  161.165  964.815  161.135  689.663   50.002  619.317   55.672 70.34576 74.83030 
1 1 1    5   13   25 o  121.993   10.958   35.239   6.2033   39.014   8.6324   31.208   8.9202  128.852   14.335  115.135   16.578 13.71684 21.91607 
1 1 1    5   13   26 o  500.277   27.568  611.663   64.104  540.662   90.612  682.804   90.701  469.890   41.262  530.665   36.572 -60.77411 55.13645 
1 1 1    5   13   27 o  375.680   27.149  336.624   47.667   0.0000   0.0000  336.624   47.667  ?   ?   375.680   27.149      ?      ? 
1 1 1    5   13   28 o  110.602   15.567   32.928   7.2983   20.932   12.662   38.896   8.9312   92.671   27.354  128.534   14.868 -35.86373 31.13363 
1 1 1    5   13   29 o  187.312   15.542   83.409   12.606   82.908   15.194   84.517   22.585  187.135   17.373  187.488   25.775 -0.3523712 31.08315 
1 1 1    5   13   30 o  247.543   14.162  146.453   16.256  124.888   22.853  168.541   23.128  228.704   21.381  266.381   18.578 -37.67682 28.32462 
1 1 1    5   13   31 o  323.716   16.409  252.470   24.609  214.242   34.669  291.296   34.939  298.283   24.870  349.149   21.412 -50.86578 32.81707 
1 1 1    5   13   32 o  380.934   22.170  356.680   39.346  387.507   55.625  325.811   55.661  398.268   29.885  363.600   32.756 34.66754 44.33994 
1 1 1    5   13   33 o  171.208   11.465   69.570   9.1217   60.481   12.764   79.057   13.040  159.625   17.110  182.790   15.265 -23.16478 22.92955 
1 1 1    5   13   34 o  516.060   29.322  687.775   70.203  600.400   99.236  775.311   99.327  479.822   44.254  552.298   38.481 -72.47537 58.64470 
1 1 1    5   13   35 o  236.659   22.754  160.439   20.506  190.987   25.003   97.669   35.840  282.494   18.938  190.824   41.380 91.67049 45.50755 
1 1 1    5   13   36 f  150.747   11.144   54.074   7.8321   49.169   10.918   59.275   11.242  143.616   16.266  157.877   15.236 -14.26140 22.28761 
1 1 1    5   13   37 o  158.423   17.095   59.994   12.657   0.0000   0.0000   59.994   12.657  ?   ?   158.423   17.095      ?      ? 
1 1 1    5   13   38 o  283.040   25.245  207.161   33.337  219.032   47.033  195.177   47.258  292.128   34.450  273.952   36.911 18.17621 50.48984 
1 1 1    5   13   40 o  150.467   23.265   55.666   16.360   55.666   16.360   0.0000   0.0000  150.467   23.265  ?   ?       ?      ? 
1 1 1    5   13   41 o   51.359   14.012   4.4836   4.4974   4.5768   5.3971   4.2717   8.1352   48.533   17.955   54.185   21.516 -5.652588 28.02380 
1 1 1    5   13   42 o  268.126   15.228  179.614   18.515  187.832   23.878  167.226   29.319  277.853   18.388  258.399   24.278 19.45374 30.45573 
1 1 1    5   13   43 o   79.556   13.641   18.508   6.0575   27.307   7.2441  -1.9459   11.045  106.757   14.519   52.355   23.097 54.40172 27.28160 
1 1 1    5   13   44 o  103.750   10.530   25.155   5.0335   21.931   6.4886   30.027   7.9764   95.684   14.510  111.816   15.264 -16.13148 21.05986 
1 1 1    5   13   45 o  171.445   12.513   63.058   8.9570   53.902   10.271   92.120   18.299  149.689   14.682  193.202   20.267 -43.51237 25.02634 
1 1 1    5   13   46 f   67.703   12.756   12.009   4.2109   14.722   5.4840   8.1120   6.5729   76.633   15.836   58.773   20.001 17.86065 25.51127 
1 1 1    5   13   47 o   47.215   12.665   3.8552   4.0475   6.4745   5.0820  -0.6880   6.6930   52.610   17.589   41.820   18.227 10.79053 25.32940 
1 1 1    5   13   48 o  194.792   11.801   90.838   10.566   84.499   13.579  100.567   16.823  186.829   15.552  202.755   17.753 -15.92647 23.60171 
1 1 1    5   13   49 o  199.497   12.265   98.746   11.036  104.698   14.174   89.586   17.585  208.502   14.546  190.493   19.752 18.00836 24.53057 
1 1 1    5   13   50 o  140.263   13.433   50.349   8.2264   64.839   11.574   35.554   11.695  163.452   15.151  117.073   22.187 46.37926 26.86664 
1 1 1    5   13   51 o  234.221   13.972  137.687   14.893  140.392   19.173  133.574   23.645  238.985   17.167  229.458   22.050 9.526184 27.94410 
1 1 1    5   13   52 o  126.623   16.217   41.708   8.7629   42.117   10.718   40.882   15.219  130.721   17.543  122.524   27.280 8.196869 32.43373 
1 1 1    5   13   53 o   56.877   15.224   6.5041   4.9122   6.4497   5.5802   6.6911   10.353   52.798   18.410   60.955   24.251 -8.156334 30.44751 
1 1 1    5   13   54 o   63.426   17.602   8.0442   7.6203   7.7211   10.876   8.3557   10.680   63.066   24.930   63.785   24.857 -0.7195625 35.20476 
1 1 1    5   13   55 o  137.426   28.475   53.600   17.687   53.600   17.687   0.0000   0.0000  137.426   28.475  ?   ?       ?      ? 
1 1 1    5   13   56 o   83.527   21.372   18.826   8.3773   18.826   8.3773   0.0000   0.0000   83.527   21.372  ?   ?       ?      ? 
1 1 1    5   13   57 o   75.945   18.393   14.189   8.4918   24.780   12.470   5.0304   11.596   92.493   27.102   59.398   24.874 33.09449 36.78631 
1 1 1    5   13   58 o   73.819   17.623   15.361   7.4220   18.480   9.4330   10.292   12.025   81.041   23.522   66.596   26.250 14.44476 35.24655 
1 1 1    5   13   59 o  125.799   17.576   48.218   9.6475   56.743   12.254   34.317   15.647  148.135   17.700  103.463   30.371 44.67220 35.15199 
1 1 1    5   13   60 o  109.484   12.707   31.273   6.3378   27.815   8.7191   35.147   9.2286  101.873   19.013  117.096   16.864 -15.22231 25.41389 
1 1 1    5   13   61 o   52.624   13.928   6.6466   4.6301   5.7334   6.4831   7.5973   6.6150   50.522   19.455   54.726   19.937 -4.203522 27.85648 
1 1 1    5   13   62 o  104.755   12.910   29.749   6.1529   25.873   8.4586   34.106   8.9666   95.991   19.520  113.519   16.901 -17.52724 25.82005 
1 1 1    5   13   63 o   52.668   13.913   6.7934   4.6317   4.9545   6.2877   8.9751   6.8487   48.051   18.968   57.284   20.359 -9.232563 27.82586 
1 1 1    5   13   64 o   39.530   12.355   0.1203   4.5629  -2.4081   6.4495   2.6541   6.4565   35.970   16.573   43.090   18.327 -7.120209 24.70908 
1 1 1    5   13   65 o   64.235   14.731   12.518   5.3946   18.975   7.9052   6.8906   7.3801   77.350   21.226   51.121   20.431 26.22867 29.46136 
1 1 1    5   13   66 o   60.614   14.394   11.224   5.0016   7.2064   6.8592   15.785   7.3088   50.989   19.906   70.240   20.796 -19.25164 28.78735 
1 1 1    5   13   67 o   42.556   12.658   3.6587   4.2781   4.2316   6.1365   3.1169   5.9673   43.667   18.174   41.445   17.623 2.222198 25.31527 
1 1 1    5   14    0 o   61.966   17.159   12.347   6.7251   12.347   6.7251   12.347   6.7251   61.966   24.267   61.966   24.267 -0.000000 0.000000 
1 1 1    5   14    1 o  754.612   59.915  1499.33  200.955  1985.59  284.275  1013.63  284.111  892.393   68.162  616.832   98.555 275.5609 119.8294 
1 1 1    5   14    2 o  504.994   30.970  583.401   70.105  716.294  121.523  517.115   85.826  544.770   47.731  465.219   39.475 79.55109 61.93969 
1 1 1    5   14    3 o  368.142   20.077  298.878   33.192  404.130   57.558  246.437   40.628  413.222   29.805  323.062   26.909 90.16022 40.15485 
1 1 1    5   14    4 o  242.518   18.220  143.171   19.119  126.488   33.082  151.537   23.427  231.095   30.631  253.941   19.740 -22.84607 36.44043 
1 1 1    5   14    5 o   72.136   17.546   12.702   5.8586   0.0000   0.0000   12.702   5.8586  ?   ?    72.136   17.546      ?      ? 
1 1 1    5   14    6 o  437.276   34.847  454.661   71.214   0.0000   0.0000  454.661   71.214  ?   ?   437.276   34.847      ?      ? 
1 1 1    5   14    7 o  323.943   36.275  249.874   54.919   0.0000   0.0000  249.874   54.919  ?   ?   323.943   36.275      ?      ? 
1 1 1    5   14    8 o  224.992   26.652  119.498   28.025   0.0000   0.0000  119.498   28.025  ?   ?   224.992   26.652      ?      ? 
1 1 1    5   14    9 o  721.238   82.766  1336.28  278.979   0.0000   0.0000  1336.28  278.979  ?   ?   721.238   82.766      ?      ? 
1 1 1    5   14   10 o  642.776   72.578  1040.71  218.025   0.0000   0.0000  1040.71  218.025  ?   ?   642.776   72.578      ?      ? 
1 1 1    5   14   11 o  428.997   47.478  445.102   95.190   0.0000   0.0000  445.102   95.190  ?   ?   428.997   47.478      ?      ? 
1 1 1    5   14   12 o  556.618   41.097  789.230   98.428  695.886  170.502  835.886  120.542  524.644   69.538  588.593   43.821 -63.94946 82.19353 
1 1 1    5   14   13 o  438.341   26.968  445.720   52.767  513.409   91.508  412.001   64.586  461.046   42.469  415.636   33.249 45.40985 53.93628 
1 1 1    5   14   14 f  459.688   39.124  529.573   82.361  414.910  116.517  644.074  116.435  406.344   61.355  513.032   48.562 -106.6887 78.24783 
1 1 1    5   14   15 o  147.205   10.376   50.786   7.1007   43.969   9.8214   58.251   10.278  136.840   15.357  157.570   13.957 -20.73004 20.75191 
1 1 1    5   14   16 o  557.838   32.138  759.134   83.630  810.373  118.259  707.875  118.282  577.498   43.817  538.178   47.027 39.31970 64.27662 
1 1 1    5   14   17 o  401.719   27.191  383.894   48.371  373.410   59.252  404.842   83.756  395.464   32.059  407.974   43.928 -12.50955 54.38235 
1 1 1    5   14   18 o  615.876   34.865  944.917   98.183  1158.92  138.876  731.058  138.829  690.196   43.054  541.556   54.852 148.6401 69.73080 
1 1 1    5   14   19 o  220.276   15.977  112.727   15.629  108.540   19.146  121.089   27.059  214.620   19.088  225.932   25.627 -11.31223 31.95426 
1 1 1    5   14   20 o  348.645   18.454  289.943   29.825  247.696   42.117  332.443   42.242  322.647   27.931  374.643   24.126 -51.99557 36.90785 
1 1 1    5   14   21 o  394.100   21.869  371.350   40.250  386.621   56.880  356.034   56.964  402.410   30.245  385.790   31.594 16.61984 43.73731 
1 1 1    5   14   22 o  315.805   15.938  236.134   23.509  226.928   33.230  245.358   33.264  309.564   22.969  322.047   22.101 -12.48318 31.87510 
1 1 1    5   14   23 o  266.043   22.228  169.953   27.630  167.277   39.298  172.569   38.857  263.873   31.866  268.212   30.999 -4.338379 44.45625 
1 1 1    5   14   24 o  242.726   17.965  141.434   19.167  136.281   32.964  144.066   23.559  238.592   29.563  246.860   20.421 -8.268692 35.93002 
1 1 1    5   14   25 o  285.240   19.807  194.014   24.952  195.258   42.983  193.381   30.645  284.918   32.280  285.562   22.962 -0.6445007 39.61380 
1 1 1    5   14   26 o  247.493   14.243  145.214   16.439  133.872   23.166  156.720   23.332  237.628   20.859  257.358   19.399 -19.72928 28.48553 
1 1 1    5   14   27 o  289.833   17.529  201.946   23.651  221.716   33.417  182.106   33.477  304.460   23.485  275.205   26.028 29.25568 35.05752 
1 1 1    5   14   28 o  336.494   17.167  272.329   26.922  248.744   37.983  296.138   38.163  321.448   25.284  351.541   23.229 -30.09305 34.33420 
1 1 1    5   14   29 o  355.372   20.722  307.531   34.413  303.318   48.627  311.757   48.707  352.843   29.489  357.900   29.120 -5.056549 41.44328 
1 1 1    5   14   30 o  401.973   23.178  399.754   43.188  455.327   61.056  344.104   61.098  431.582   30.271  372.364   35.109 59.21881 46.35668 
1 1 1    5   14   31 o  407.678   34.921  438.742   66.386  408.542   93.846  468.991   93.922  391.836   51.247  423.521   47.451 -31.68500 69.84193 
1 1 1    5   14   32 o  137.095   11.015   44.919   6.9925   49.958   9.6699   39.395   10.123  145.381   14.232  128.809   16.816 16.57224 22.03066 
1 1 1    5   14   33 o   87.986   13.279   19.970   5.2960   13.823   8.3551   24.098   6.8473   75.095   22.235  100.877   14.524 -25.78210 26.55799 
1 1 1    5   14   34 o  254.945   16.010  158.433   18.916  179.738   26.610  136.669   26.894  273.068   20.851  236.822   24.299 36.24593 32.01936 
1 1 1    5   14   35 o  309.308   18.066  234.984   26.111  238.863   36.823  231.062   37.031  312.051   25.250  306.566   25.846 5.484924 36.13258 
1 1 1    5   14   36 o  434.335   41.355  561.182   83.609  515.073  118.156  607.424  118.326  411.672   61.413  456.998   55.402 -45.32635 82.70984 
1 1 1    5   14   37 o  236.807   30.489  141.507   33.743   0.0000   0.0000  141.507   33.743  ?   ?   236.807   30.489      ?      ? 
1 1 1    5   14   38 o   88.647   23.002   19.955   9.6117   19.955   9.6117   0.0000   0.0000   88.647   23.002  ?   ?       ?      ? 
1 1 1    5   14   39 o  106.284   22.182   28.603   10.662   28.603   10.662   0.0000   0.0000  106.284   22.182  ?   ?       ?      ? 
1 1 1    5   14   40 o   62.803   22.521   8.5808   8.3984   8.5808   8.3984   0.0000   0.0000   62.803   22.521  ?   ?       ?      ? 
1 1 1    5   14   41 o   64.707   14.361   7.2079   4.6827   3.2116   5.4731   18.125   9.0458   45.435   17.769   83.979   22.565 -38.54477 28.72194 
1 1 1    5   14   42 o  163.334   10.633   63.226   7.9762   60.031   10.258   68.112   12.684  158.500   13.849  168.167   16.139 -9.667847 21.26620 
1 1 1    5   14   43 o  176.469   12.183   75.824   9.9562   87.014   14.064   64.582   14.096  190.076   15.832  162.862   18.520 27.21342 24.36501 
1 1 1    5   14   44 o   52.864   13.590   6.1441   4.0890   7.5703   4.5673   0.3840   9.1787   55.399   16.448   50.330   21.639 5.069546 27.18057 
1 1 1    5   14   45 o   91.751   12.760   21.401   5.3885   10.405   7.4051   33.776   7.8559   65.082   21.209  118.420   14.195 -53.33801 25.52046 
1 1 1    5   14   46 o  117.620   11.611   33.616   6.3688   30.821   8.9173   36.527   9.0991  112.477   16.964  122.763   15.859 -10.28658 23.22277 
1 1 1    5   14   47 o   97.569   11.591   22.220   5.0397   16.970   6.3754   30.965   8.2285   82.044   17.178  113.094   15.568 -31.05022 23.18292 
1 1 1    5   14   48 o   51.157   13.238   5.3967   4.0729   5.5194   5.2359   5.2087   6.4814   50.302   17.809   52.012   19.590 -1.709255 26.47504 
1 1 1    5   14   49 o   69.847   14.927   12.473   5.3047   13.763   7.4678   11.159   7.5368   73.000   20.852   66.694   21.366 6.305656 29.85496 
1 1 1    5   14   50 o  122.619   15.407   39.490   7.2109   40.350   8.2665   36.755   14.747  129.304   13.679  115.934   27.612 13.36970 30.81489 
1 1 1    5   14   51 o  142.796   15.096   51.875   8.2443   51.750   9.4559   52.273   16.834  146.339   13.826  139.253   26.839 7.085190 30.19134 
1 1 1    5   14   52 o  108.030   17.492   28.975   8.8315   28.975   8.8315   0.0000   0.0000  108.030   17.492  ?   ?       ?      ? 
1 1 1    5   14   53 o   67.431   16.921   9.0826   7.3107   0.7309   9.9334   18.952   10.798   51.573   22.342   83.290   25.419 -31.71682 33.84184 
1 1 1    5   14   54 o   39.763   12.543  -4.9190   5.2770 -14.6145   7.9328   2.7765   7.0674   31.763   15.587   47.763   19.657 -16.00059 25.08652 
1 1 1    5   14   55 o  188.143   16.187   87.752   13.602   74.606   16.540  115.215   23.908  169.620   20.866  206.666   24.753 -37.04669 32.37431 
1 1 1    5   14   56 o   74.955   26.457   15.195   11.547   15.195   11.547   0.0000   0.0000   74.955   26.457  ?   ?       ?      ? 
1 1 1    5   14   57 o   51.291   15.626   1.7462   6.6202   0.8371   8.4197   3.2183   10.714   47.403   20.552   55.180   23.542 -7.776993 31.25129 
1 1 1    5   14   58 f   69.184   16.278   13.122   5.7375   13.431   6.5937   12.159   11.643   70.182   19.437   68.185   26.118 1.996735 32.55652 
1 1 1    5   14   59 o   65.781   13.719   11.728   4.6829   15.273   6.4776   7.8471   6.7778   75.250   18.540   56.311   20.228 18.93887 27.43869 
1 1 1    5   14   60 o   59.074   14.031   9.1485   4.6034   6.9947   6.1845   11.824   6.8936   53.075   19.286   65.072   20.385 -11.99694 28.06259 
1 1 1    5   14   61 o   52.450   13.922   6.8228   4.6017   6.5808   6.1771   7.1245   6.8979   51.491   19.177   53.408   20.188 -1.916805 27.84405 
1 1 1    5   14   62 o   61.475   14.480   11.166   5.5249   15.311   6.4984   0.3564   10.494   73.825   18.788   49.125   22.038 24.70025 28.95962 
1 1 1    5   14   63 o   67.234   14.004   13.559   4.6989   13.333   6.6566   13.783   6.6340   66.630   19.873   67.838   19.736 -1.207359 28.00819 
1 1 1    5   14   64 o   34.415   11.099  -1.9326   4.0057  -4.2662   5.6018   0.5093   5.7303   31.137   14.701   37.693   16.632 -6.556860 22.19783 
1 1 1    5   14   65 o   52.509   11.711   4.4165   4.4271   16.819   6.4016  -6.9524   6.1290   75.006   18.401   30.011   14.491 44.99502 23.42184 
1 1 1    5   14   66 o   60.559   13.219   10.294   4.6605   3.3660   6.2063   19.251   7.0571   42.523   18.022   78.595   19.343 -36.07277 26.43799 
1 1 1    5   15    1 o  521.896   32.789  631.986   76.530  745.409  132.638  575.382   93.700  553.798   51.248  489.993   40.917 63.80576 65.57858 
1 1 1    5   15    2 o  679.628   42.744  1092.38  130.023  1309.31  225.280  984.024  159.219  724.247   66.557  635.008   53.650 89.23883 85.48796 
1 1 1    5   15    3 f  510.570   38.524  623.234   91.923   0.0000   0.0000  623.234   91.923  ?   ?   510.570   38.524      ?      ? 
1 1 1    5   15    4 o  620.597   37.989  901.055  105.554  1083.97  182.913  809.728  129.245  662.961   59.036  578.234   47.827 84.72693 75.97755 
1 1 1    5   15    5 o  396.810   29.111  392.231   49.680  339.376   86.067  418.641   60.839  373.673   49.284  419.948   30.999 -46.27399 58.22211 
1 1 1    5   15    6 o  621.442   45.802  993.504  122.670  891.200  212.496  1044.64  150.230  587.810   77.352  655.073   49.071 -67.26324 91.60405 
1 1 1    5   15    7 o  292.394   19.190  199.795   24.833  210.755   43.122  194.357   30.375  297.727   30.991  287.062   22.641 10.66473 38.38033 
1 1 1    5   15    8 o  359.404   26.198  305.815   44.004   0.0000   0.0000  305.815   44.004  ?   ?   359.404   26.198      ?      ? 
1 1 1    5   15    9 o  317.761   25.910  239.111   38.478   0.0000   0.0000  239.111   38.478  ?   ?   317.761   25.910      ?      ? 
1 1 1    5   15   10 o  165.280   13.186   64.118   8.7847   64.628   17.688   63.951   10.121  165.419   22.880  165.140   13.114 0.2791290 26.37182 
1 1 1    5   15   11 o  653.636   34.024  1066.27  100.395  952.843  158.716  1141.92  129.622  619.659   54.806  687.613   40.336 -67.95441 68.04896 
1 1 1    5   15   12 o  376.455   20.728  337.493   36.399  360.769   51.442  314.154   51.511  389.707   28.245  363.203   30.346 26.50415 41.45686 
1 1 1    5   15   13 o  466.636   24.977  522.338   54.448  504.948   76.994  539.733   77.007  458.662   35.919  474.610   34.718 -15.94833 49.95477 
1 1 1    5   15   14 o  961.240   80.793  2792.46  330.524  2892.03  404.796  2593.30  572.514  1036.81   83.540  885.674  138.315 151.1317 161.5860 
1 1 1    5   15   15 o  273.075   14.864  176.515   18.889  194.654   26.670  158.258   26.757  287.339   19.860  258.811   22.121 28.52789 29.72851 
1 1 1    5   15   16 o  422.462   22.582  428.880   44.256  487.188   62.557  370.458   62.618  452.028   29.612  392.896   34.102 59.13199 45.16455 
1 1 1    5   15   17 o  354.308   22.088  277.075   35.099  394.724   60.844  218.396   42.970  406.150   32.054  302.466   30.398 103.6843 44.17590 
1 1 1    5   15   18 o  514.396   33.403  624.795   76.886  565.469   94.168  743.426  133.163  482.054   41.799  546.737   52.115 -64.68344 66.80643 
1 1 1    5   15   19 o  255.858   14.982  155.439   17.794  175.072   25.074  135.521   25.255  272.406   19.695  239.310   22.581 33.09622 29.96348 
1 1 1    5   15   20 o  416.393   23.045  416.950   44.825  431.147   63.342  402.708   63.441  423.710   31.987  409.077   33.184 14.63260 46.09076 
1 1 1    5   15   21 o  294.907   24.375  210.120   33.577  203.602   47.664  216.541   47.309  290.176   35.147  299.638   33.783 -9.461578 48.75049 
1 1 1    5   15   22 f  547.326   34.294  742.495   82.607  753.783  142.967  736.837  101.212  544.757   56.155  549.896   39.383 -5.139832 68.58882 
1 1 1    5   15   23 o  225.511   16.010  119.825   16.043  123.191   27.456  118.081   19.769  227.396   25.835  223.626   18.915 3.770203 32.01917 
1 1 1    5   15   24 o  351.968   23.885  297.454   37.199  313.879   64.467  289.255   45.546  357.010   38.638  346.926   28.091 10.08456 47.77020 
1 1 1    5   15   25 o  229.656   20.202  127.814   21.657  122.604   30.905  132.842   30.356  224.813   29.415  234.499   27.699 -9.686584 40.40390 
1 1 1    5   15   26 o  596.467   58.099  1131.27  137.111  1242.21  167.915  909.284  237.517  685.834   52.387  507.099  103.718 178.7350 116.1979 
1 1 1    5   15   27 o  280.433   20.696  200.058   24.786  167.744   42.922  216.226   30.360  260.094   35.311  300.771   21.598 -40.67682 41.39228 
1 1 1    5   15   28 o   84.492   14.462   18.745   5.6312   11.886   9.9765   21.952   6.8218   72.615   24.642   96.369   15.147 -23.75433 28.92472 
1 1 1    5   15   29 f   71.432   12.108   12.547   4.0106   10.435   5.5778   14.807   5.7708   65.234   17.800   77.631   16.419 -12.39731 24.21606 
1 1 1    5   15   30 o  203.276   16.388  100.726   14.554  103.251   17.833   95.690   25.185  208.253   18.323  198.298   27.176 9.955170 32.77555 
1 1 1    5   15   31 o  363.516   29.378  325.213   49.910  325.213   49.910   0.0000   0.0000  363.516   29.378  ?   ?       ?      ? 
1 1 1    5   15   32 o  108.859   12.219   27.053   5.9198   22.299   7.3637   35.739   9.9534   95.338   17.158  122.380   17.403 -27.04197 24.43850 
1 1 1    5   15   33 o  260.425   24.029  173.947   28.781  205.848   40.595  141.707   40.811  286.835   30.283  234.015   37.315 52.81941 48.05711 
1 1 1    5   15   34 o  176.541   17.299   74.545   14.273   0.0000   0.0000   74.545   14.273  ?   ?   176.541   17.299      ?      ? 
1 1 1    5   15   35 o  233.817   16.966  128.622   17.682  151.527   30.849  117.415   21.579  247.453   26.675  220.181   20.971 27.27245 33.93137 
1 1 1    5   15   36 o  103.354   25.814   27.423   12.432   27.423   12.432   0.0000   0.0000  103.354   25.814  ?   ?       ?      ? 
1 1 1    5   15   37 o  219.486   28.831  121.467   29.574  121.467   29.574   0.0000   0.0000  219.486   28.831  ?   ?       ?      ? 
1 1 1    5   15   38 o  200.393   26.837  100.982   25.134  100.982   25.134   0.0000   0.0000  200.393   26.837  ?   ?       ?      ? 
1 1 1    5   15   39 o   71.601   16.415   12.527   6.2029   12.685   7.9875   12.286   9.8455   71.343   21.877   71.859   24.479 -0.5158539 32.83029 
1 1 1    5   15   40 o   45.154   13.003   1.3949   4.6304   5.2617   5.9063  -4.7719   7.4588   51.146   18.807   39.162   17.961 11.98424 26.00614 
1 1 1    5   15   41 o  144.435   16.162   50.235   10.910   0.0000   0.0000   50.235   10.910  ?   ?   144.435   16.162      ?      ? 
1 1 1    5   15   42 o  101.405   12.174   25.571   5.5270   19.390   7.7508   31.965   7.8835   87.421   19.470  115.390   14.619 -27.96954 24.34747 
1 1 1    5   15   43 o   76.072   14.611   15.586   5.2943   17.829   6.4133   10.786   9.3811   84.261   16.874   67.882   23.858 16.37890 29.22266 
1 1 1    5   15   44 o   82.900   15.897   16.750   5.9609   14.615   7.1667   21.543   10.737   75.465   19.999   90.335   24.716 -14.86936 31.79385 
1 1 1    5   15   45 o   55.987   13.611   6.7157   4.6124   10.808   6.3254   2.0692   6.7403   65.527   19.331   46.447   19.165 19.08015 27.22129 
1 1 1    5   15   46 o  246.414   14.331  152.418   16.015  159.875   20.685  141.260   25.303  255.958   17.292  236.870   22.857 19.08809 28.66126 
1 1 1    5   15   47 o   98.121   13.661   24.589   6.0940   18.058   8.7106   30.851   8.5287   83.480   22.012  112.761   16.184 -29.28088 27.32133 
1 1 1    5   15   48 o  152.385   13.512   54.744   8.4672   51.552   9.7613   64.443   17.018  145.913   14.314  158.856   22.922 -12.94244 27.02442 
1 1 1    5   15   49 o  118.056   16.569   41.634   7.5212   46.608   8.6382   26.044   15.293  139.124   13.285   96.987   30.359 42.13695 33.13887 
1 1 1    5   15   50 o   73.819   21.428   14.170   7.8282   14.170   7.8282   0.0000   0.0000   73.819   21.428  ?   ?       ?      ? 
1 1 1    5   15   51 o  145.572   12.487   52.756   8.4668   47.809   11.920   57.793   12.028  138.275   18.445  152.868   16.836 -14.59242 24.97387 
1 1 1    5   15   52 o   89.886   16.489   22.620   6.9911   17.745   11.467   25.504   8.8198   80.862   26.394   98.909   19.771 -18.04745 32.97784 
1 1 1    5   15   53 o   99.398   16.606   27.066   7.4175   25.969   12.208   27.708   9.3389   96.071   26.384  102.726   20.172 -6.655266 33.21193 
1 1 1    5   15   54 o   83.498   17.147   17.343   8.4096   33.688   12.148   2.3019   11.653  110.583   24.180   56.413   24.319 54.17065 34.29398 
1 1 1    5   15   55 o  132.092   18.818   44.638   11.617   44.638   11.617   0.0000   0.0000  132.092   18.818  ?   ?       ?      ? 
1 1 1    5   15   56 o   96.959   27.971   28.052   13.376   28.052   13.376   0.0000   0.0000   96.959   27.971  ?   ?       ?      ? 
1 1 1    5   15   57 f  119.393   15.174   39.843   8.0604   30.936   11.878   47.445   10.974  103.031   24.937  135.756   17.296 -32.72480 30.34798 
1 1 1    5   15   58 o  105.479   13.467   30.409   6.2294   33.890   8.0721   25.284   9.7953  116.192   14.865   94.767   22.460 21.42496 26.93347 
1 1 1    5   15   59 o   57.166   15.045   8.1844   5.3717   9.0563   7.8097   7.4015   7.4003   59.034   21.639   55.297   20.908 3.736111 30.08924 
1 1 1    5   15   60 o   48.720   12.938   5.1499   4.3614   8.8602   5.6782  -0.1885   6.8110   56.832   18.574   40.609   18.015 16.22346 25.87532 
1 1 1    5   15   61 o   74.531   13.847   16.672   5.4081   23.429   7.1368   7.5588   8.2880   93.233   17.006   55.829   21.858 37.40385 27.69403 
1 1 1    5   15   62 o   55.850   14.332   8.8409   4.7868   8.4623   6.2982   9.3588   7.3656   54.735   19.516   56.966   20.994 -2.230804 28.66409 
1 1 1    5   15   63 o   45.332   13.613   3.6489   4.6764   3.8268   5.4942   3.1813   8.9088   43.126   17.489   47.539   20.865 -4.413162 27.22578 
1 1 1    5   15   64 o   51.713   13.858   7.6310   4.6266   8.4742   6.3268   6.6618   6.7829   53.539   19.499   49.887   19.698 3.652359 27.71684 
1 1 1    5   15   65 o   50.537   13.152   6.9816   4.4057   11.109   6.1026   2.4892   6.3669   59.567   19.241   41.508   17.935 18.05804 26.30341 
1 1 1    5   15   66 o   61.557   16.161   10.559   5.9572   4.6610   7.0497   25.290   11.141   45.008   19.147   78.106   26.041 -33.09801 32.32236 
1 1 1    5   16    0 o  350.471   19.769  294.712   45.122  294.712   45.122  294.712   45.122  350.471   27.958  350.471   27.958 -0.000000 0.000000 
1 1 1    5   16    1 o  617.697   26.256  879.119   73.079  1290.34  115.651  605.781   94.289  734.551   33.689  500.844   40.282 233.7068 52.51275 
1 1 1    5   16    2 f  226.654   12.105  119.725   12.605  126.314   19.961  115.355   16.256  231.687   18.434  221.621   15.695 10.06674 24.21081 
1 1 1    5   16    3 o  548.153   25.331  715.307   63.773  749.856  100.865  692.297   82.315  557.921   38.683  538.384   32.715 19.53711 50.66207 
1 1 1    5   16    4 o  315.695   27.860  282.669   30.805  177.163   61.569  317.901   35.578  264.178   51.719  367.211   20.731 -103.0331 55.71936 
1 1 1    5   16    5 f  395.808   33.578  443.431   46.842  289.428   93.654  494.810   54.095  334.490   62.200  457.126   25.321 -122.6363 67.15611 
1 1 1    5   16    6 o  559.894   31.815  738.737   72.919  816.604  145.880  712.801   84.192  573.663   54.412  546.126   32.986 27.53662 63.63015 
1 1 1    5   16    7 o  326.296   21.907  258.258   28.590  244.996   57.170  262.681   33.015  318.885   38.361  333.706   21.169 -14.82159 43.81437 
1 1 1    5   16    8 o  162.956   16.178   62.399   12.321   0.0000   0.0000   62.399   12.321  ?   ?   162.956   16.178      ?      ? 
1 1 1    5   16    9 o  490.304   34.009  614.440   65.407  541.652  130.826  638.696   75.524  463.298   60.421  517.311   31.238 -54.01291 68.01900 
1 1 1    5   16   10 f  166.438   12.811   59.778   9.5404   89.659   16.454   44.644   11.710  195.166   18.040  137.709   18.194 57.45732 25.62164 
1 1 1    5   16   11 o  456.307   22.519  512.903   46.083  434.009   72.828  565.587   59.513  424.441   36.715  488.173   26.085 -63.73154 45.03780 
1 1 1    5   16   12 o  184.480   13.908   76.779   11.528   92.820   19.838   68.600   14.166  198.247   21.412  170.713   17.755 27.53409 27.81570 
1 1 1    5   16   13 o  223.047   13.392  117.377   13.919  106.624   19.597  128.326   19.775  212.646   19.719  233.448   18.125 -20.80190 26.78329 
1 1 1    5   16   14 o  139.045   10.341   45.448   6.7109   42.837   9.5020   48.047   9.4793  135.035   15.057  143.055   14.179 -8.019150 20.68161 
1 1 1    5   16   15 o  300.200   16.897  214.003   23.617  235.113   33.410  192.918   33.390  315.236   22.677  285.163   25.054 30.07318 33.79306 
1 1 1    5   16   16 o  309.453   21.447  224.218   29.539  245.010   51.042  213.748   36.220  319.030   34.233  299.877   25.844 19.15283 42.89357 
1 1 1    5   16   17 o  161.274   17.832   69.291   11.339   78.458   13.645   48.830   20.386  182.596   15.990  139.952   31.880 42.64433 35.66494 
1 1 1    5   16   18 o  341.700   22.259  269.508   34.034  244.967   41.688  318.554   58.936  320.298   27.849  363.102   34.730 -42.80432 44.51711 
1 1 1    5   16   19 o  441.620   33.325  528.125   60.364  369.749  104.367  607.739   73.997  380.089   58.754  503.150   31.468 -123.0601 66.65016 
1 1 1    5   16   20 o  463.974   37.871  547.122   81.259  631.534  114.941  462.781  114.893  502.879   48.907  425.070   57.835 77.80850 75.74142 
1 1 1    5   16   21 o  411.102   22.214  407.979   42.676  414.239   60.312  401.703   60.393  414.373   31.144  407.830   31.686 6.543030 44.42881 
1 1 1    5   16   22 o  311.913   20.531  227.053   28.592  263.138   49.591  209.085   34.994  328.586   32.293  295.240   25.362 33.34607 41.06196 
1 1 1    5   16   23 o  126.369   11.900   36.015   6.7687   31.644   8.3264   44.531   11.622  115.734   15.394  137.003   18.152 -21.26866 23.80059 
1 1 1    5   16   24 o   61.686   14.302   8.4557   4.4591   9.2621   8.2349   8.1212   5.3040   64.985   22.381   58.388   17.813 6.597546 28.60440 
1 1 1    5   16   25 o  125.793   16.191   45.769   8.3445   21.507   14.170   58.651   10.325   93.921   29.194  157.666   14.012 -63.74545 32.38277 
1 1 1    5   16   26 o  243.057   15.819  131.174   17.263  184.106   29.871  104.629   21.154  276.979   23.076  209.134   21.643 67.84454 31.63715 
1 1 1    5   16   27 o  187.084   11.484   82.982   10.034   85.379   14.090   80.516   14.293  189.884   15.877  184.284   16.595 5.599731 22.96714 
1 1 1    5   16   28 o  115.852   10.481   31.653   5.6440   27.311   7.7628   36.522   8.2205  107.387   15.468  124.318   14.149 -16.93140 20.96279 
1 1 1    5   16   29 o  406.014   22.480  410.043   42.488  370.172   60.037  450.047   60.137  384.988   33.368  427.041   30.132 -42.05292 44.95975 
1 1 1    5   16   30 o   75.244   11.943   14.127   4.1142   16.624   5.7315   11.473   5.9092   82.381   15.454   68.107   18.212 14.27358 23.88545 
1 1 1    5   16   31 o  190.617   14.591   82.673   12.460  105.819   21.718   71.317   15.212  208.875   22.248  172.358   18.885 36.51736 29.18281 
1 1 1    5   16   32 o  289.827   16.768  204.970   22.704  198.233   32.042  211.762   32.175  284.860   24.068  294.795   23.354 -9.935211 33.53602 
1 1 1    5   16   33 o  143.536   17.258   51.937   11.115   57.517   15.025   45.190   16.520  154.178   20.852  132.894   27.506 21.28391 34.51598 
1 1 1    5   16   34 o  300.139   26.435  236.340   37.069  229.513   52.237  243.266   52.613  295.368   37.842  304.909   36.921 -9.540527 52.86953 
1 1 1    5   16   37 o   81.612   22.858   16.987   9.0655   16.987   9.0655   0.0000   0.0000   81.612   22.858  ?   ?       ?      ? 
1 1 1    5   16   38 o   80.739   16.715   16.821   6.9087   21.052   9.3254   11.673   10.286   90.487   22.215   70.991   24.980 19.49667 33.42934 
1 1 1    5   16   39 o  167.795   12.143   68.193   9.4984   62.849   13.438   73.529   13.428  160.984   17.861  174.607   16.455 -13.62343 24.28548 
1 1 1    5   16   40 o  137.203   14.107   45.111   8.4769   48.950   15.077   43.336   10.251  140.359   22.984  134.048   16.362 6.310516 28.21327 
1 1 1    5   16   41 o   47.789   13.995   0.9201   4.7816  -1.1318   5.7142   5.7135   8.7335   37.985   16.691   57.593   22.468 -19.60783 27.98915 
1 1 1    5   16   42 o  183.608   26.267   86.983   22.540   0.0000   0.0000   86.983   22.540  ?   ?   183.608   26.267      ?      ? 
1 1 1    5   16   43 o  115.300   18.053   35.009   9.4651   38.500   13.858   31.957   12.959  120.873   25.342  109.728   25.718 11.14548 36.10564 
1 1 1    5   16   44 o  145.503   14.870   51.378   9.5058   56.769   16.850   48.861   11.513  149.551   24.109  141.454   17.415 8.096298 29.74045 
1 1 1    5   16   45 o  135.844   11.886   45.025   7.5071   39.873   10.596   50.218   10.638  127.707   17.753  143.980   15.809 -16.27361 23.77176 
1 1 1    5   16   46 o   62.077   15.644   8.3728   5.4140   7.6285   6.5374   9.9977   9.6592   57.568   19.934   66.587   24.117 -9.019466 31.28887 
1 1 1    5   16   47 o   65.054   15.070   7.1885   5.3479   2.0255   6.3956   19.191   9.7512   45.153   18.653   84.956   23.676 -39.80242 30.14091 
1 1 1    5   16   48 o  223.354   18.049  126.492   17.875  119.936   21.875  139.667   31.009  218.133   21.458  228.575   29.028 -10.44203 36.09814 
1 1 1    5   16   49 o  171.835   15.434   72.245   11.852   65.481   14.508   85.819   20.553  161.850   19.180  181.821   24.187 -19.97113 30.86846 
1 1 1    5   16   50 o   83.291   16.675   19.651   6.8214   22.581   8.2086   13.112   12.263   93.231   19.468   73.350   27.079 19.88111 33.35041 
1 1 1    5   16   51 o   69.012   16.970   10.562   7.6061   19.671   10.315  -0.2941   11.261   84.849   24.588   53.175   23.396 31.67418 33.94011 
1 1 1    5   16   52 o   61.796   15.536   6.6668   5.9114   16.517   9.7064   0.8594   7.4530   77.991   24.150   45.601   19.550 32.38960 31.07102 
1 1 1    5   16   53 f   90.553   16.997   22.430   6.9838   21.998   8.4448   23.365   12.422   90.844   20.391   90.261   27.200 0.5830154 33.99442 
1 1 1    5   16   54 o  112.642   29.881   38.063   15.989   38.063   15.989   0.0000   0.0000  112.642   29.881  ?   ?       ?      ? 
1 1 1    5   16   55 o  115.172   18.980   34.335   10.216   34.335   10.216   0.0000   0.0000  115.172   18.980  ?   ?       ?      ? 
1 1 1    5   16   56 o   73.235   17.639   14.332   6.5730   17.584   13.112   13.240   7.5965   77.275   28.081   69.194   21.354 8.081772 35.27834 
1 1 1    5   16   57 o   54.700   12.753   6.3402   4.8224   13.741   6.1512  -5.4622   7.7680   71.423   18.335   37.977   17.732 33.44580 25.50681 
1 1 1    5   16   58 o  142.117   11.731   51.403   7.6757   46.730   9.8850   58.499   12.181  134.900   15.679  149.334   17.454 -14.43431 23.46232 
1 1 1    5   16   59 o   46.813   13.651   3.3256   4.8187   1.2963   6.3367   6.1084   7.4203   41.625   17.939   52.000   20.581 -10.37521 27.30125 
1 1 1    5   16   60 o  119.622   12.092   36.968   6.6762   31.760   8.6657   44.572   10.472  109.668   16.908  129.576   17.292 -19.90871 24.18446 
1 1 1    5   16   61 o   44.223   13.889   1.4842   4.9869   1.3078   5.6848   2.0732   10.388   39.284   16.960   49.162   21.999 -9.878025 27.77807 
1 1 1    5   16   62 o   95.813   13.973   28.405   6.0286   33.187   7.8687   21.607   9.3808  111.090   15.156   80.537   23.480 30.55268 27.94650 
1 1 1    5   16   63 o   63.128   14.853   12.240   5.0885   9.4495   6.5590   16.459   8.0646   55.773   19.913   70.484   22.044 -14.71130 29.70606 
1 1 1    5   16   64 o   76.578   14.416   22.039   6.0593   26.220   6.9427   8.6750   12.412   97.637   15.215   55.519   24.490 42.11753 28.83110 
1 1 1    5   16   65 o   44.997   14.174   3.6154   5.7824  -0.4816   11.502   5.0011   6.6892   44.792   21.123   45.201   18.907 -0.4084282 28.34875 
1 1 1    5   17    0 o  292.125   13.244  202.655   25.331  202.655   25.331  202.655   25.331  292.125   18.730  292.125   18.730 -0.000000 0.000000 
1 1 1    5   17    1 o  305.442   15.818  219.967   22.138  223.400   35.043  217.687   28.559  307.085   24.418  303.799   20.115 3.286224 31.63568 
1 1 1    5   17    2 o  904.935   46.809  2117.43  192.890  2055.00  304.993  2159.04  249.017  883.535   73.862  926.334   57.520 -42.79919 93.61720 
1 1 1    5   17    3 o  594.262   31.112  771.929   77.866  1084.44  155.847  667.961   89.890  661.981   50.374  526.542   36.529 135.4396 62.22499 
1 1 1    5   17    4 o  548.323   46.366  868.249   89.980  604.404  179.916  956.253  103.908  466.016   85.769  630.630   35.256 -164.6142 92.73267 
1 1 1    5   17    5 o  233.012   17.331  136.190   15.813  114.548   31.562  143.443   18.272  218.985   30.839  247.039   15.826 -28.05455 34.66282 
1 1 1    5   17    6 o  343.127   27.266  279.903   43.725   0.0000   0.0000  279.903   43.725  ?   ?   343.127   27.266      ?      ? 
1 1 1    5   17    7 o  516.952   29.628  637.287   71.581   0.0000   0.0000  637.287   71.581  ?   ?   516.952   29.628      ?      ? 
1 1 1    5   17    8 o  923.258   56.122  2139.36  242.159   0.0000   0.0000  2139.36  242.159  ?   ?   923.258   56.122      ?      ? 
1 1 1    5   17    9 o  843.571   45.259  1651.98  160.091  2251.34  320.301  1452.39  184.834  922.770   74.271  764.371   51.741 158.3990 90.51721 
1 1 1    5   17   10 o  245.660   20.298  142.441   23.303   0.0000   0.0000  142.441   23.303  ?   ?   245.660   20.298      ?      ? 
1 1 1    5   17   11 o  471.706   26.477  529.206   58.368   0.0000   0.0000  529.206   58.368  ?   ?   471.706   26.477      ?      ? 
1 1 1    5   17   12 o  106.353   8.8421   26.141   4.3170   28.615   6.8971   24.548   5.5354  110.395   13.368  102.310   11.577 8.084473 17.68419 
1 1 1    5   17   13 o  332.155   21.397  257.372   31.674  287.606   54.820  242.221   38.806  345.339   33.966  318.972   26.032 26.36728 42.79459 
1 1 1    5   17   14 o  135.245   9.3825   42.276   5.8678   47.607   9.1433   38.542   7.6514  142.356   13.743  128.134   12.777 14.22214 18.76503 
1 1 1    5   17   15 o  393.023   19.161  372.043   34.270  350.496   54.152  386.437   44.260  382.454   30.297  403.593   23.465 -21.13873 38.32116 
1 1 1    5   17   16 o  170.496   14.057   66.535   10.774   76.418   18.382   61.364   13.298  179.641   21.895  161.351   17.634 18.28964 28.11329 
1 1 1    5   17   17 o  166.807   14.369   68.708   10.349   57.724   17.685   74.428   12.762  155.780   24.292  177.833   15.356 -22.05275 28.73825 
1 1 1    5   17   18 o  294.240   29.042  249.025   32.478  301.193   39.747  144.220   56.337  355.390   23.931  233.090   52.925 122.3002 58.08345 
1 1 1    5   17   19 f  228.944   28.014  126.539   29.974  126.539   29.974   0.0000   0.0000  228.944   28.014  ?   ?       ?      ? 
1 1 1    5   17   20 f  243.631   13.923  141.313   15.838  146.624   22.258  135.865   22.543  248.384   19.174  238.878   20.192 9.505585 27.84542 
1 1 1    5   17   21 o  179.123   11.886   76.602   9.7522   58.541   13.611   95.656   13.980  156.986   18.551  201.259   14.863 -44.27242 23.77123 
1 1 1    5   17   22 o  222.274   13.141  117.411   13.649  117.609   19.170  117.208   19.439  222.493   18.436  222.055   18.731 0.4383850 26.28222 
1 1 1    5   17   23 o  332.199   18.358  266.599   28.496  260.575   40.247  272.655   40.353  328.323   26.229  336.074   25.692 -7.751190 36.71609 
1 1 1    5   17   24 o  158.884   13.312   56.658   9.4881   72.599   16.484   48.760   11.603  174.425   20.221  143.343   17.320 31.08186 26.62493 
1 1 1    5   17   25 o  221.503   16.253  116.386   15.962  113.115   19.574  122.881   27.581  217.844   19.226  225.162   26.210 -7.318253 32.50536 
1 1 1    5   17   26 o  261.898   16.051  165.112   19.639  159.627   27.724  170.636   27.824  257.415   23.045  266.381   22.350 -8.965424 32.10284 
1 1 1    5   17   27 o  168.979   14.433   67.542   10.755   71.444   18.801   65.643   13.113  171.864   23.407  166.094   16.892 5.769699 28.86602 
1 1 1    5   17   28 o   60.895   12.760   6.5880   4.2765   16.302   7.0761   0.9984   5.3676   80.918   19.031   40.872   17.003 40.04583 25.51987 
1 1 1    5   17   29 o  144.792   16.804   51.645   11.121   47.812   15.383   55.843   16.097  137.989   24.764  151.596   22.720 -13.60724 33.60720 
1 1 1    5   17   30 o  128.881   13.390   38.148   7.4496   35.528   8.8372   44.580   13.849  122.161   15.479  135.602   21.852 -13.44102 26.77916 
1 1 1    5   17   31 o  255.968   18.364  151.590   21.149  201.053   36.472  126.531   25.960  284.719   27.409  227.217   24.446 57.50166 36.72721 
1 1 1    5   17   32 o  140.706   16.279   47.338   10.705   0.0000   0.0000   47.338   10.705  ?   ?   140.706   16.279      ?      ? 
1 1 1    5   17   34 o  229.658   20.144  128.226   21.621  128.226   21.621   0.0000   0.0000  229.658   20.144  ?   ?       ?      ? 
1 1 1    5   17   35 o   73.813   22.943   13.536   8.7513   13.536   8.7513   0.0000   0.0000   73.813   22.943  ?   ?       ?      ? 
1 1 1    5   17   36 o  106.271   14.853   30.358   6.7577   22.292   11.517   34.593   8.3455   92.481   25.714  120.062   14.873 -27.58189 29.70589 
1 1 1    5   17   37 o   98.842   23.355   25.224   10.617   25.224   10.617   0.0000   0.0000   98.842   23.355  ?   ?       ?      ? 
1 1 1    5   17   38 o  178.416   16.348   81.594   12.435   86.229   15.118   71.902   21.862  188.880   17.127  167.952   27.852 20.92834 32.69641 
1 1 1    5   17   39 o  102.588   11.791   25.844   5.4784   26.097   7.3199   25.523   8.2604  104.162   15.037  101.013   18.166 3.148849 23.58157 
1 1 1    5   17   40 o  208.536   15.677  102.802   14.665  131.857   25.465   88.386   17.938  228.214   23.876  188.859   20.323 39.35428 31.35407 
1 1 1    5   17   41 o  105.779   11.592   27.215   5.7301   27.643   8.1282   26.792   8.0791  106.627   16.311  104.931   16.475 1.695869 23.18331 
1 1 1    5   17   42 o  210.624   13.912  110.093   13.567  126.778   19.220   93.524   19.153  227.495   18.078  193.753   21.152 33.74101 27.82494 
1 1 1    5   17   43 o  173.247   15.459   75.231   11.745   75.529   14.392   74.636   20.323  175.820   17.515  170.674   25.479 5.145615 30.91815 
1 1 1    5   17   44 o  155.146   14.719   58.837   10.173   56.702   12.534   62.958   17.414  152.393   17.599  157.900   23.597 -5.506500 29.43726 
1 1 1    5   17   45 o   69.944   15.843   12.639   5.9047   14.770   7.2584   8.4700   10.153   75.639   20.165   64.248   24.442 11.39167 31.68673 
1 1 1    5   17   46 o  168.916   18.978   75.300   14.978   75.361   21.404   75.242   20.967  168.766   27.138  169.066   26.537 -0.3000336 37.95588 
1 1 1    5   17   47 o   54.952   15.477   4.8225   6.0409  -5.1976   12.076   8.1665   6.9765   50.748   23.115   59.156   20.587 -8.407532 30.95353 
1 1 1    5   17   48 o  141.639   18.525   59.505   10.690   39.711   18.849   68.892   12.980  116.063   33.119  167.214   16.609 -51.15164 37.05049 
1 1 1    5   17   49 o   45.135   12.861  -0.4056   4.8549  -8.7296   6.9227   7.6506   6.8104   32.975   15.786   57.295   20.309 -24.32031 25.72229 
1 1 1    5   17   50 o   50.616   14.086   3.9755   5.0526   7.2100   7.0731   0.6053   7.2201   56.530   20.612   44.703   19.205 11.82738 28.17289 
1 1 1    5   17   51 o  149.370   15.075   55.303   10.142   67.951   17.342   48.728   12.503  160.461   23.125  138.279   19.347 22.18242 30.15078 
1 1 1    5   17   52 o   35.888   11.863  -5.6408   4.9166  -6.1553   6.6755  -5.0307   7.2687   34.353   16.167   37.423   17.365 -3.069695 23.72591 
1 1 1    5   17   53 o  137.142   18.217   47.918   11.676   47.918   11.676   0.0000   0.0000  137.142   18.217  ?   ?       ?      ? 
1 1 1    5   17   54 o  101.641   20.410   27.916   9.3583   27.916   9.3583   0.0000   0.0000  101.641   20.410  ?   ?       ?      ? 
1 1 1    5   17   55 o   35.616   12.191 -11.8130   6.1903 -12.9103   8.4272 -10.5270   9.1229   33.828   16.485   37.405   17.963 -3.577423 24.38123 
1 1 1    5   17   56 o   89.658   16.223   24.909   7.3230   13.350   12.767   30.576   8.9397   70.559   27.265  108.757   17.588 -38.19855 32.44603 
1 1 1    5   17   57 f   66.832   15.933   13.298   6.0661   15.723   7.1052   6.7781   11.650   74.671   19.972   58.993   24.830 15.67866 31.86505 
1 1 1    5   17   58 o  130.825   12.475   45.096   7.5570   40.508   9.9005   51.501   11.697  123.424   17.164  138.225   18.107 -14.80084 24.94932 
1 1 1    5   17   59 o   91.934   16.094   25.803   6.9794   20.565   10.454   30.017   9.3750   80.834   25.067  103.035   20.191 -22.20139 32.18775 
1 1 1    5   17   60 o   46.227   13.523   4.1534   4.7420   4.8245   6.1526   3.1715   7.4423   46.620   18.647   45.834   19.590 0.7864723 27.04552 
1 1 1    5   17   61 o   80.447   14.957   23.436   6.4073   27.945   7.4375   10.460   12.618  101.412   15.693   59.482   25.467 41.92944 29.91398 
1 1 1    5   17   62 o   50.668   12.823   6.0770   4.7734   12.944   6.1798  -4.0802   7.5160   64.972   19.090   36.363   17.126 28.60871 25.64618 
1 1 1    5   17   63 o   48.076   14.015   4.0364   5.3203   11.158   8.1702  -1.2064   7.0103   58.261   21.983   37.891   17.391 20.37075 28.03034 
1 1 1    5   17   64 o   67.195   18.720   19.407   8.8749   27.578   13.151   12.573   12.027   76.895   28.095   57.496   24.746 19.39931 37.43933 
1 1 1    5   18    0 o  877.128   38.735  1888.54  222.547  1888.54  222.547  1888.54  222.547  877.128   54.779  877.128   54.779 -0.000000 0.000000 
1 1 1    5   18    1 o  194.420   10.162   89.036   9.1990   97.653   12.995   80.380   13.024  203.926   13.635  184.914   15.070 19.01241 20.32315 
1 1 1    5   18    2 o  165.662   10.413   66.768   7.7195   55.183   12.190   74.523   9.9741  153.082   17.039  178.242   11.974 -25.16011 20.82543 
1 1 1    5   18    3 o  131.668   11.968   40.941   6.2782   40.596   12.805   41.050   7.2035  131.037   20.909  132.299   11.650 -1.262451 23.93581 
1 1 1    5   18    4 o  359.187   22.125  305.494   37.141   0.0000   0.0000  305.494   37.141  ?   ?   359.187   22.125      ?      ? 
1 1 1    5   18    5 o  460.568   31.431  536.011   57.286  494.917  114.597  549.702   66.144  441.843   55.496  479.292   29.529 -37.44873 62.86285 
1 1 1    5   18    6 o  205.621   13.561   94.850   11.507  110.528   23.106   89.679   13.270  215.914   22.898  195.328   14.536 20.58566 27.12244 
1 1 1    5   18    7 o  227.923   16.820  129.706   15.090  111.189   30.048  135.951   17.450  215.456   29.841  240.391   15.532 -24.93515 33.64090 
1 1 1    5   18    8 o  670.303   57.166  1435.69  127.163  856.327  254.210  1629.04  146.857  522.485  107.687  818.122   38.409 -295.6370 114.3317 
1 1 1    5   18    9 o  178.851   13.130   75.107   10.975   0.0000   0.0000   75.107   10.975  ?   ?   178.851   13.130      ?      ? 
1 1 1    5   18   10 o  549.805   41.495  852.117   84.814  620.091  169.584  929.511   97.943  478.590   75.819  621.020   33.746 -142.4297 82.98999 
1 1 1    5   18   11 o  142.399   12.332   46.051   7.8685   53.838   13.570   42.106   9.6579  151.009   19.228  133.789   15.446 17.22028 24.66373 
1 1 1    5   18   12 o  362.300   19.466  329.768   31.076  250.878   49.067  382.610   40.157  322.658   32.539  401.941   21.378 -79.28247 38.93296 
1 1 1    5   18   13 o  201.472   12.438   95.850   11.693   89.084   16.451  102.759   16.623  194.221   18.124  208.723   17.041 -14.50195 24.87677 
1 1 1    5   18   14 o  572.447   28.552  840.843   72.729  689.607  114.956  941.779   93.913  522.037   47.118  622.858   32.262 -100.8208 57.10483 
1 1 1    5   18   15 o   65.291   10.771   10.089   3.4407   5.3903   4.7251   15.392   5.0200   49.724   16.958   80.859   13.284 -31.13492 21.54182 
1 1 1    5   18   16 o  152.216   13.935   55.950   9.0848   57.307   10.940   52.936   16.306  155.794   15.025  148.638   23.474 7.156097 27.87055 
1 1 1    5   18   17 o  145.314   12.319   47.457   8.0270   41.522   9.8202   59.406   13.934  132.512   15.857  158.116   18.856 -25.60382 24.63744 
1 1 1    5   18   18 f  346.840   19.279  294.327   30.661  230.676   43.301  358.332   43.421  307.480   30.133  386.200   24.057 -78.71982 38.55795 
1 1 1    5   18   19 o  123.016   9.9660   35.727   5.7266   36.712   8.0523   34.719   8.1456  124.756   13.811  121.275   14.372 3.481323 19.93198 
1 1 1    5   18   20 o  193.403   12.325   89.326   10.961   70.361   15.325  109.190   15.684  171.957   19.070  214.849   15.620 -42.89177 24.65042 
1 1 1    5   18   21 o  437.414   28.294  463.175   55.338  415.554   67.679  559.239   96.123  408.598   35.442  466.231   44.115 -57.63364 56.58818 
1 1 1    5   18   22 o  343.758   18.465  286.376   29.654  294.003   41.864  278.696   42.011  348.544   25.700  338.971   26.519 9.572693 36.92920 
1 1 1    5   18   23 o  288.026   16.515  199.976   22.213  190.726   31.357  209.294   31.471  281.145   23.865  294.906   22.834 -13.76117 33.02962 
1 1 1    5   18   24 o  215.708   13.166  111.368   13.185   96.162   18.521  126.992   18.774  200.448   19.771  230.968   17.392 -30.52007 26.33172 
1 1 1    5   18   25 o  277.191   17.606  177.521   21.880  222.120   37.975  155.357   26.770  300.915   27.003  253.467   22.599 47.44786 35.21201 
1 1 1    5   18   26 o  211.447   13.331  107.273   13.157  100.583   18.486  114.141   18.731  204.624   19.331  218.270   18.362 -13.64627 26.66169 
1 1 1    5   18   27 o  136.908   12.447   43.338   7.5752   40.201   9.2320   49.802   13.253  129.995   15.196  143.820   19.717 -13.82523 24.89366 
1 1 1    5   18   28 o  192.510   15.484   90.387   13.191   88.229   22.413   91.530   16.316  189.563   25.299  195.458   17.861 -5.894775 30.96874 
1 1 1    5   18   29 o  179.067   17.090   78.595   14.296   79.603   20.027   77.548   20.416  180.379   23.756  177.756   24.575 2.622314 34.18025 
1 1 1    5   18   30 o  256.350   21.528  159.865   25.792   0.0000   0.0000  159.865   25.792  ?   ?   256.350   21.528      ?      ? 
1 1 1    5   18   32 o  126.157   23.423   40.291   13.302   40.291   13.302   0.0000   0.0000  126.157   23.423  ?   ?       ?      ? 
1 1 1    5   18   33 o  218.325   28.706  121.554   29.290  121.554   29.290   0.0000   0.0000  218.325   28.706  ?   ?       ?      ? 
1 1 1    5   18   34 o  294.200   31.428  254.248   40.089  329.748   56.682  178.682   56.706  351.042   34.549  237.358   52.510 113.6841 62.85688 
1 1 1    5   18   35 o  162.128   13.926   63.720   9.9862   66.328   17.255   62.406   12.245  163.435   22.590  160.822   16.292 2.613556 27.85262 
1 1 1    5   18   36 o  127.668   14.671   40.991   8.0097   39.110   13.668   41.975   9.8849  123.273   24.586  132.063   16.016 -8.790047 29.34278 
1 1 1    5   18   37 o  111.950   17.110   32.410   8.6739   31.621   11.844   33.324   12.739  110.680   23.617  113.221   24.763 -2.541603 34.21946 
1 1 1    5   18   38 o  144.074   16.281   55.227   9.5678   59.318   11.578   46.414   16.991  156.570   15.823  131.579   28.459 24.99039 32.56145 
1 1 1    5   18   39 o   39.360   16.398   1.0845   5.0029   1.0845   5.0029   0.0000   0.0000   39.360   16.398  ?   ?       ?      ? 
1 1 1    5   18   40 o  174.865   13.543   68.437   10.510   53.853   12.674  100.551   18.807  148.170   18.303  201.560   19.965 -53.38992 27.08516 
1 1 1    5   18   41 f  147.446   14.223   53.044   9.1937   51.519   11.161   56.263   16.216  145.601   16.401  149.291   23.242 -3.690399 28.44647 
1 1 1    5   18   42 o   68.627   18.836   11.953   6.2246   11.953   6.2246   0.0000   0.0000   68.627   18.836  ?   ?       ?      ? 
1 1 1    5   18   43 o   68.365   16.699   10.940   6.4940   8.8206   8.7569   13.529   9.6802   63.180   22.950   73.550   24.262 -10.37030 33.39728 
1 1 1    5   18   44 o  176.429   20.716   85.620   16.350  100.453   22.767   69.827   23.494  196.719   24.764  156.139   33.216 40.58049 41.43172 
1 1 1    5   18   45 o  209.556   17.631  113.042   16.240  114.826   28.053  112.143   19.917  207.270   28.960  211.842   20.117 -4.571640 35.26127 
1 1 1    5   18   46 o  128.192   16.585   43.476   8.8919   41.040   15.903   44.583   10.725  121.802   28.451  134.581   17.052 -12.77867 33.16994 
1 1 1    5   18   47 o  133.804   13.290   46.354   7.7748   33.299   11.121   58.836   10.874  112.469   21.945  155.139   14.997 -42.67001 26.58054 
1 1 1    5   18   48 o  138.097   12.541   47.620   8.0939   48.006   11.437   47.233   11.456  138.704   17.644  137.490   17.828 1.213547 25.08298 
1 1 1    5   18   49 o   66.863   16.279   6.3819   7.6208   22.426   11.075  -8.0458   10.502   89.932   25.292   43.793   20.503 46.13863 32.55873 
1 1 1    5   18   50 o  136.703   17.156   51.568   9.6907   47.521   17.394   53.390   11.670  127.455   29.743  145.952   17.108 -18.49687 34.31274 
1 1 1    5   18   51 o   71.673   16.790   10.535   6.4041   23.380   11.780   5.1453   7.6301   90.465   26.294   52.881   20.889 37.58398 33.58094 
1 1 1    5   18   52 o   84.993   20.909   19.585   8.2483   19.585   8.2483   0.0000   0.0000   84.993   20.909  ?   ?       ?      ? 
1 1 1    5   18   53 o   43.551   17.488   3.0256   5.4350   3.0256   5.4350   0.0000   0.0000   43.551   17.488  ?   ?       ?      ? 
1 1 1    5   18   54 o   84.341   16.192   17.549   6.8937   8.5175   8.6219   33.557   11.478   59.625   22.562  109.057   23.232 -49.43229 32.38470 
1 1 1    5   18   55 o   37.484   12.304  -4.3396   5.1051  -6.7290   8.2184  -2.8383   6.5143   37.934   17.878   37.033   16.910 0.9016075 24.60862 
1 1 1    5   18   56 o   63.261   15.582   10.717   5.8437   15.742   8.5974   6.4024   7.9670   72.893   22.754   53.630   21.294 19.26271 31.16381 
1 1 1    5   18   57 o   56.046   13.272   5.0701   4.9460  -3.5296   6.4921   16.967   7.6358   35.602   16.482   76.490   20.808 -40.88840 26.54456 
1 1 1    5   18   58 o  105.093   17.919   34.198   8.3656   33.021   10.262   36.530   14.443  106.725   21.321  103.461   28.807 3.263351 35.83886 
1 1 1    5   18   59 o   46.117   13.632   3.8369   4.8684   3.0064   6.4343   4.9489   7.4457   43.670   18.421   48.564   20.099 -4.893490 27.26352 
1 1 1    5   18   60 o   55.756   12.119   3.5886   4.7481  -8.0807   6.1864   20.316   7.4069   29.414   14.286   82.098   19.580 -52.68367 24.23758 
1 1 1    5   18   61 o   36.384   12.216  -5.3001   5.6512 -18.9062   11.228  -0.6838   6.5400   35.037   17.434   37.731   17.118 -2.694412 24.43291 
1 1 1    5   18   62 o   64.023   15.488   13.766   7.0232   23.373   9.0143  -1.0743   11.204   82.896   22.632   45.149   21.150 37.74675 30.97671 
1 1 1    5   18   63 o   54.209   16.451   9.7802   7.5019   8.1220   10.606   11.440   10.612   52.141   22.829   56.277   23.693 -4.135830 32.90170 
1 1 1    5   19    0 o  706.740   31.747  1215.42  146.920  1215.42  146.920  1215.42  146.920  706.740   44.897  706.740   44.897 -0.000000 0.000000 
1 1 1    5   19    1 o  446.888   19.346  477.076   40.402  483.768   57.140  470.385   57.135  450.091   27.164  443.685   27.554 6.406738 38.69246 
1 1 1    5   19    2 o  288.945   20.386  212.616   22.939  176.186   45.806  224.810   26.501  269.280   36.398  308.610   18.375 -39.32971 40.77269 
1 1 1    5   19    3 o  879.910   57.019  2050.39  204.865  2427.45  409.812  1924.77  236.542  896.479   97.814  863.341   58.625 33.13867 114.0373 
1 1 1    5   19    4 o  422.093   26.665  425.598   52.601   0.0000   0.0000  425.598   52.601  ?   ?   422.093   26.665      ?      ? 
1 1 1    5   19    5 o  235.763   15.122  126.705   14.641  142.697   29.387  121.425   16.886  244.504   25.718  227.023   15.915 17.48109 30.24390 
1 1 1    5   19    6 o  404.969   24.157  381.643   40.236  436.038   80.550  363.558   46.445  419.868   41.050  390.070   25.477 29.79794 48.31342 
1 1 1    5   19    7 o  499.786   48.605  800.817   81.490  469.322  162.890  911.479   94.114  387.140   91.480  612.433   32.882 -225.2933 97.21002 
1 1 1    5   19    8 o  253.017   16.774  151.612   17.236  155.663   34.386  150.253   19.918  253.889   28.980  252.144   16.903 1.745117 33.54893 
1 1 1    5   19    9 f  476.241   27.124  563.138   51.837  561.741  103.691  563.604   59.853  468.510   47.357  483.973   26.462 -15.46326 54.24837 
1 1 1    5   19   10 o  185.356   14.278   82.192   10.674   80.859   21.296   82.639   12.336  183.492   24.834  187.221   14.098 -3.728882 28.55633 
1 1 1    5   19   11 o  277.415   17.694  182.454   22.940   0.0000   0.0000  182.454   22.940  ?   ?   277.415   17.694      ?      ? 
1 1 1    5   19   12 o  345.209   22.249  285.007   35.895   0.0000   0.0000  285.007   35.895  ?   ?   345.209   22.249      ?      ? 
1 1 1    5   19   13 o  194.301   12.269   89.528   11.130   84.780   15.682   94.349   15.801  189.043   17.750  199.559   16.942 -10.51622 24.53707 
1 1 1    5   19   14 o  385.069   21.619  363.820   38.616  413.227   54.646  314.542   54.575  412.476   28.348  357.663   32.649 54.81363 43.23871 
1 1 1    5   19   15 f   85.411   9.8766   16.907   3.6168   31.042   5.7207   7.4944   4.6681  114.935   10.650   55.887   16.636 59.04856 19.75319 
1 1 1    5   19   16 o  152.104   9.9804   56.140   6.8393   47.787   10.732   61.853   8.8748  142.072   16.163  162.135   11.712 -20.06308 19.96076 
1 1 1    5   19   17 f  254.091   15.050  154.392   17.871  155.178   25.199  153.597   25.350  254.774   21.163  253.408   21.405 1.366730 30.10052 
1 1 1    5   19   18 o  226.919   16.587  127.465   16.335  113.268   28.063  134.741   20.090  215.765   27.829  238.074   18.056 -22.30832 33.17358 
1 1 1    5   19   19 f  239.581   19.575  149.902   19.644  168.276   24.089  113.432   33.938  265.589   19.407  213.574   34.002 52.01494 39.15054 
1 1 1    5   19   20 o  318.818   18.035  247.800   26.624  209.973   37.576  285.934   37.728  293.352   27.408  344.284   23.448 -50.93182 36.06953 
1 1 1    5   19   21 o  387.791   25.546  364.975   44.300  435.395   76.786  329.842   54.236  411.394   39.938  364.188   31.865 47.20596 51.09217 
1 1 1    5   19   22 o  227.508   15.484  117.839   15.730  102.574   19.135  149.650   27.624  206.743   19.804  248.272   23.808 -41.52808 30.96828 
1 1 1    5   19   23 o  215.175   17.828  116.119   16.445  121.109   19.967  105.596   28.995  224.644   19.018  205.706   30.160 18.93820 35.65597 
1 1 1    5   19   24 o  242.121   18.143  142.560   19.451  148.652   33.533  139.470   23.879  244.136   29.390  240.105   21.280 4.030457 36.28539 
1 1 1    5   19   25 o  149.234   13.097   51.307   8.8630   62.424   14.881   45.196   11.033  160.982   19.779  137.485   17.172 23.49738 26.19330 
1 1 1    5   19   26 o  258.255   20.124  178.512   21.680  132.299   37.203  202.277   26.678  226.839   35.092  289.671   19.707 -62.83194 40.24700 
1 1 1    5   19   27 o   93.891   16.091   22.370   6.9952   23.928   9.7827   20.739   10.006   97.371   22.014   90.410   23.474 6.960915 32.18192 
1 1 1    5   19   28 o  234.312   29.764  138.607   32.594  138.607   32.594   0.0000   0.0000  234.312   29.764  ?   ?       ?      ? 
1 1 1    5   19   29 o   49.932   19.533   3.8403   6.6148   3.8403   6.6148   0.0000   0.0000   49.932   19.533  ?   ?       ?      ? 
1 1 1    5   19   30 o   48.672   17.439   4.9326   5.0348   4.9326   5.0348   0.0000   0.0000   48.672   17.439  ?   ?       ?      ? 
1 1 1    5   19   31 o  107.841   23.205   29.797   11.349   29.797   11.349   0.0000   0.0000  107.841   23.205  ?   ?       ?      ? 
1 1 1    5   19   32 o   95.060   16.003   23.911   7.8605   36.603   10.623   8.5546   11.685  122.588   18.542   67.532   26.088 55.05587 32.00621 
1 1 1    5   19   33 o   79.248   16.008   16.079   6.8303   23.787   9.1528   6.3922   10.261   96.695   20.866   61.801   24.283 34.89354 32.01668 
1 1 1    5   19   34 o  214.999   17.976  120.791   16.466  102.769   28.582  129.743   20.144  199.019   30.729  230.979   18.661 -31.96036 35.95161 
1 1 1    5   19   35 o  185.191   12.649   83.405   10.925   76.684   15.327   90.344   15.575  177.360   18.492  193.023   17.265 -15.66287 25.29886 
1 1 1    5   19   36 f  218.617   20.446  130.643   18.262  140.464   22.267  110.467   31.916  238.546   19.973  198.687   35.683 39.85953 40.89296 
1 1 1    5   19   37 o   55.764   14.229   5.7271   4.4913   3.7567   5.3896   10.206   8.1253   46.246   17.756   65.282   22.238 -19.03635 28.45737 
1 1 1    5   19   38 f   98.637   16.954   25.139   7.7838   19.781   10.468   31.766   11.641   86.795   24.651  110.479   23.281 -23.68364 33.90716 
1 1 1    5   19   40 f  109.080   15.464   32.811   7.1155   37.141   8.6306   23.620   12.573  124.062   14.885   94.097   27.111 29.96434 30.92853 
1 1 1    5   19   41 o   77.120   23.618   15.253   9.3126   15.253   9.3126   0.0000   0.0000   77.120   23.618  ?   ?       ?      ? 
1 1 1    5   19   42 f   71.483   16.687   12.890   6.8119   17.315   8.9045   6.6466   10.577   81.178   22.625   61.788   24.534 19.39013 33.37388 
1 1 1    5   19   43 o  209.882   17.497  113.026   16.274  117.259   27.832  110.828   20.061  209.579   28.415  210.184   20.423 -0.6052704 34.99309 
1 1 1    5   19   44 o  179.775   12.770   79.768   10.720   75.355   14.974   84.406   15.352  174.516   18.360  185.034   17.753 -10.51730 25.53951 
1 1 1    5   19   45 o   80.996   13.772   18.677   6.3036   0.4125   10.367   29.391   7.9400   52.417   22.766  109.575   15.505 -57.15810 27.54438 
1 1 1    5   19   46 o  195.855   19.906  109.830   15.782  119.542   19.289   90.165   27.448  218.031   18.930  173.679   35.025 44.35220 39.81299 
1 1 1    5   19   47 o   40.386   12.811  -1.8116   4.8657   0.9925   5.6607  -9.7446   9.5212   40.874   17.261   39.897   18.934 0.9768219 25.62125 
1 1 1    5   19   48 o   51.343   14.094   4.9337   4.9945   7.8456   5.7848  -3.5932   9.8991   56.358   18.764   46.327   21.034 10.03132 28.18702 
1 1 1    5   19   49 o  107.681   15.460   27.891   7.5013   46.429   12.791   18.172   9.2613  134.004   20.423   81.358   23.215 52.64604 30.92021 
1 1 1    5   19   50 f  103.556   19.787   31.301   9.8844   36.842   14.282   26.208   13.693  112.888   27.358   94.224   28.594 18.66435 39.57377 
1 1 1    5   19   51 o  119.458   18.264   36.601   10.197   36.601   10.197   0.0000   0.0000  119.458   18.264  ?   ?       ?      ? 
1 1 1    5   19   52 o  146.840   19.141   56.635   13.136   56.635   13.136   0.0000   0.0000  146.840   19.141  ?   ?       ?      ? 
1 1 1    5   19   53 o   62.053   15.935   5.2974   7.6811 -12.9033   11.551   19.727   10.285   41.764   20.097   82.343   24.735 -40.57888 31.86986 
1 1 1    5   19   54 o   71.642   16.163   15.393   6.5373   19.344   7.9776   7.3176   11.406   83.124   20.632   60.161   24.886 22.96310 32.32648 
1 1 1    5   19   55 o  167.064   12.423   72.950   9.5959   62.147   12.575   88.007   14.847  152.476   17.647  181.652   17.489 -29.17511 24.84525 
1 1 1    5   19   56 o   64.130   16.828   11.530   6.5004   10.814   11.633   11.855   7.8383   63.867   25.607   64.393   21.842 -0.5260963 33.65680 
1 1 1    5   19   57 o   41.576   12.805  -0.3579   4.8569  -4.8705   6.6096   4.9387   7.1607   34.178   16.085   48.975   19.927 -14.79649 25.60924 
1 1 1    5   19   58 o   84.488   14.697   22.012   5.7723   23.729   7.7057   19.817   8.7136   90.333   18.861   78.642   22.544 11.69106 29.39343 
1 1 1    5   19   59 f   70.027   17.748   16.969   7.2707   13.694   9.3620   21.946   11.541   63.730   23.634   76.324   26.483 -12.59409 35.49519 
1 1 1    5   19   60 o   66.299   15.430   14.580   5.6042   12.627   8.2562   16.248   7.6317   61.841   22.312   70.758   21.319 -8.917030 30.85962 
1 1 1    5   19   61 o   53.286   13.889   5.0323   6.1032   18.041   8.1826 -11.2798   9.1627   72.359   22.135   34.213   16.782 38.14626 27.77737 
1 1 1    5   20    0 o   79.531   9.3193   15.997   4.4942   15.997   4.4942   15.997   4.4942   79.531   13.180   79.531   13.180 -0.000000 0.000000 
1 1 1    5   20    1 o  253.631   14.026  158.448   15.912  130.950   25.101  176.921   20.574  233.793   22.973  273.469   16.097 -39.67604 28.05145 
1 1 1    5   20    2 o  381.650   26.517  370.695   40.099  347.235   80.175  378.521   46.306  366.718   46.781  396.582   24.984 -29.86432 53.03422 
1 1 1    5   20    3 o  238.609   14.822  126.987   14.672  155.635   29.476  117.551   16.917  254.339   24.798  222.878   16.241 31.46069 29.64305 
1 1 1    5   20    4 o  140.907   11.736   46.705   7.7282   0.0000   0.0000   46.705   7.7282  ?   ?   140.907   11.736      ?      ? 
1 1 1    5   20    5 o  379.319   21.224  321.709   33.654  419.518   67.422  289.254   38.838  411.608   35.049  347.030   23.947 64.57718 42.44860 
1 1 1    5   20    6 o  120.791   14.541   44.002   6.3798   21.205   12.443   52.133   7.4310   92.631   27.052  148.952   10.675 -56.32064 29.08203 
1 1 1    5   20    7 o  222.234   15.218  115.219   13.791  123.908   27.654  112.343   15.911  226.507   26.123  217.962   15.620 8.545578 30.43680 
1 1 1    5   20    8 o  212.367   19.387  125.495   14.706   84.665   29.335  139.202   16.996  182.005   35.763  242.729   14.983 -60.72414 38.77452 
1 1 1    5   20    9 f  232.475   13.815  117.420   13.455  155.001   26.962  104.958   15.526  254.314   22.685  210.635   15.772 43.67958 27.62920 
1 1 1    5   20   10 o   67.441   12.906   11.612   4.1694   8.1538   7.0314   13.487   5.1779   60.697   20.687   74.185   15.437 -13.48838 25.81177 
1 1 1    5   20   11 o   59.203   19.967   7.8359   6.5498   0.0000   0.0000   7.8359   6.5498  ?   ?    59.203   19.967      ?      ? 
1 1 1    5   20   12 o  366.547   22.075  309.742   33.529  375.301   67.123  287.945   38.704  387.169   37.096  345.925   23.940 41.24399 44.15024 
1 1 1    5   20   13 o  325.460   18.219  256.268   27.705  249.344   39.127  263.231   39.235  320.911   26.088  330.009   25.439 -9.097900 36.43831 
1 1 1    5   20   14 o  112.654   9.8576   30.021   5.1771   32.393   7.3149   27.639   7.3281  117.170   13.358  108.139   14.500 9.031700 19.71529 
1 1 1    5   20   15 o   85.601   13.080   21.260   5.1729   28.400   6.3315   6.9277   8.9707  109.770   12.342   61.433   23.065 48.33637 26.15906 
1 1 1    5   20   16 o  375.302   19.571  347.674   33.390  327.108   52.768  361.408   43.121  363.842   31.032  386.762   23.856 -22.92020 39.14219 
1 1 1    5   20   17 o  220.899   13.052  116.752   13.410  103.352   18.889  130.372   19.042  207.832   19.447  233.966   17.415 -26.13457 26.10464 
1 1 1    5   20   18 o  264.533   21.347  183.330   23.869  146.596   41.227  201.850   29.274  239.716   36.800  289.350   21.648 -49.63319 42.69465 
1 1 1    5   20   19 o  267.360   15.827  173.828   19.622  149.192   27.675  198.729   27.824  247.563   23.920  287.156   20.732 -39.59351 31.65456 
1 1 1    5   20   20 o  102.710   11.728   26.790   5.1974   36.845   7.2632   16.238   7.4404  124.829   12.450   80.591   19.878 44.23761 23.45534 
1 1 1    5   20   21 o   47.240   11.515   4.8867   3.1218   6.0478   4.0075   3.0947   4.9786   50.379   15.504   44.101   17.031 6.277344 23.03060 
1 1 1    5   20   22 o   77.325   16.967   14.823   5.9631   0.0000   0.0000   14.823   5.9631  ?   ?    77.325   16.967      ?      ? 
1 1 1    5   20   23 o  245.980   20.391  146.201   23.441   0.0000   0.0000  146.201   23.441  ?   ?   245.980   20.391      ?      ? 
1 1 1    5   20   24 o  103.675   16.446   28.426   8.1776   39.464   10.971   14.625   12.267  128.109   18.324   79.240   27.314 48.86864 32.89125 
1 1 1    5   20   25 o  254.489   31.890  165.250   37.929  165.250   37.929   0.0000   0.0000  254.489   31.890  ?   ?       ?      ? 
1 1 1    5   20   26 o  248.881   31.470  158.253   36.604  158.253   36.604   0.0000   0.0000  248.881   31.470  ?   ?       ?      ? 
1 1 1    5   20   27 o  161.284   15.991   62.351   12.053   62.351   12.053   0.0000   0.0000  161.284   15.991  ?   ?       ?      ? 
1 1 1    5   20   28 f  136.578   22.262   45.952   14.210   45.952   14.210   0.0000   0.0000  136.578   22.262  ?   ?       ?      ? 
1 1 1    5   20   29 o  285.245   37.235  221.437   49.638  221.437   49.638   0.0000   0.0000  285.245   37.235  ?   ?       ?      ? 
1 1 1    5   20   30 o  118.137   15.739   34.554   8.3888   22.330   11.164   50.408   12.714   92.566   25.151  143.707   18.930 -51.14114 31.47896 
1 1 1    5   20   31 o   58.082   14.148   6.3101   4.6548   12.203   7.8183   3.0743   5.7934   70.116   21.668   46.049   18.198 24.06670 28.29596 
1 1 1    5   20   32 o   83.573   14.152   15.937   5.4447   26.554   9.1729   10.162   6.7655  102.702   19.829   64.444   20.196 38.25781 28.30324 
1 1 1    5   20   33 o   83.681   17.112   18.157   7.0718   19.265   9.4725   16.763   10.629   86.318   23.048   81.043   25.301 5.275597 34.22466 
1 1 1    5   20   34 o  127.811   15.728   39.532   9.3945   39.532   9.3945   0.0000   0.0000  127.811   15.728  ?   ?       ?      ? 
1 1 1    5   20   35 o  104.917   14.408   28.323   6.5178   26.162   11.181   29.435   8.0219   99.618   24.244  110.215   15.574 -10.59675 28.81534 
1 1 1    5   20   36 o   84.893   14.205   18.059   5.4002   16.713   6.7824   20.388   8.9259   81.090   18.328   88.695   21.709 -7.605148 28.41098 
1 1 1    5   20   37 o  105.484   14.496   30.329   6.5446   35.248   8.1452   21.370   10.993  120.970   14.407   89.998   25.159 30.97182 28.99201 
1 1 1    5   20   38 o   91.707   14.398   23.038   5.9584   27.408   7.4039   15.005   10.038  106.576   14.865   76.837   24.662 29.73987 28.79553 
1 1 1    5   20   39 o   91.783   16.759   22.371   7.3804   16.714   10.818   27.295   10.094   80.621   25.574  102.945   21.666 -22.32368 33.51824 
1 1 1    5   20   40 o   65.646   12.939   10.550   5.3178  -4.2295   8.5919   19.728   6.7704   42.858   19.512   88.433   16.999 -45.57530 25.87829 
1 1 1    5   20   41 o  138.372   16.568   46.950   10.714   0.0000   0.0000   46.950   10.714  ?   ?   138.372   16.568      ?      ? 
1 1 1    5   20   42 o   79.577   17.540   16.082   7.3375   11.681   9.9098   21.423   10.917   69.644   24.518   89.511   25.088 -19.86674 35.07917 
1 1 1    5   20   43 o  103.184   15.632   27.247   7.1021   31.403   11.814   24.894   8.8873  108.372   23.962   97.996   20.080 10.37517 31.26317 
1 1 1    5   20   44 o  186.751   12.798   87.017   11.164   83.251   15.608   90.962   15.973  182.481   18.302  191.021   17.893 -8.540024 25.59512 
1 1 1    5   20   45 o  132.808   12.666   44.444   7.4673   32.830   10.219   57.749   10.938  112.291   20.217  153.325   15.264 -41.03400 25.33219 
1 1 1    5   20   46 o   79.054   17.824   17.071   7.4564   18.621   10.065   15.185   11.101   82.464   24.401   75.644   25.989 6.820419 35.64865 
1 1 1    5   20   47 o   87.279   16.054   19.772   6.5300   26.660   10.583   15.537   8.2981   98.678   23.318   75.880   22.072 22.79724 32.10745 
1 1 1    5   20   48 o  157.671   19.724   70.438   14.128   61.076   19.720   80.311   20.251  143.777   30.303  171.564   25.256 -27.78793 39.44848 
1 1 1    5   20   49 o  132.623   26.216   49.841   15.673   49.841   15.673   0.0000   0.0000  132.623   26.216  ?   ?       ?      ? 
1 1 1    5   20   50 o   58.455   22.607   7.6704   8.7827   7.6704   8.7827   0.0000   0.0000   58.455   22.607  ?   ?       ?      ? 
1 1 1    5   20   51 o   78.856   20.395   17.143   7.5726   17.143   7.5726   0.0000   0.0000   78.856   20.395  ?   ?       ?      ? 
1 1 1    5   20   52 o   81.168   25.092   19.364   10.483   0.0000   0.0000   19.364   10.483  ?   ?    81.168   25.092      ?      ? 
1 1 1    5   20   53 o   94.717   21.356   25.541   9.2275   0.0000   0.0000   25.541   9.2275  ?   ?    94.717   21.356      ?      ? 
1 1 1    5   20   54 o   68.632   15.189   13.370   5.6120   18.966   8.3095   8.6756   7.6097   80.088   21.673   57.175   21.287 22.91271 30.37825 
1 1 1    5   20   55 o   53.030   15.215   0.8112   7.1602   14.012   9.7543 -14.6136   10.544   68.565   24.305   37.495   18.309 31.06918 30.42918 
1 1 1    5   20   56 o   53.180   15.023   7.0688   5.2973   7.7055   6.0967   5.1071   10.701   53.078   19.170   53.282   23.136 -0.2032394 30.04584 
1 1 1    5   20   57 o   41.685   13.119  -1.0201   5.2718   5.2955   8.0276  -5.8093   6.9905   49.553   20.719   33.817   16.099 15.73581 26.23823 
1 1 1    5   20   58 o   45.369   13.791   2.6347   5.2919   7.1577   8.1622  -0.6452   6.9506   51.926   21.218   38.811   17.623 13.11525 27.58246 
1 1 1    5   20   59 o   59.792   16.506   10.225   6.8116   4.3085   8.7865   19.138   10.784   48.104   20.926   71.481   25.532 -23.37605 33.01157 
1 1 1    5   20   60 o   52.692   14.989   6.8988   5.5540   2.5377   6.8655   15.158   9.4481   41.890   18.353   63.494   23.703 -21.60384 29.97799 
1 1 1    5   21    1 o  171.314   16.708   78.797   11.392   53.616   19.574   91.694   14.008  145.738   29.746  196.891   15.224 -51.15378 33.41525 
1 1 1    5   21    2 o  149.543   10.754   52.910   7.5093   50.123   10.576   55.743   10.664  145.530   15.551  153.556   14.859 -8.026566 21.50845 
1 1 1    5   21    3 o  297.871   17.314  215.257   23.847  250.265   33.732  180.279   33.717  323.006   22.345  272.736   26.453 50.26932 34.62741 
1 1 1    5   21    4 o  241.439   20.293  139.213   22.898   0.0000   0.0000  139.213   22.898  ?   ?   241.439   20.293      ?      ? 
1 1 1    5   21    5 o  147.540   16.657   61.007   9.6220   35.858   16.730   73.437   11.762  118.771   30.102  176.310   14.274 -57.53931 33.31495 
1 1 1    5   21    6 o  406.447   32.387  452.354   55.244  363.762   95.635  496.722   67.678  364.430   56.151  448.465   32.291 -84.03467 64.77385 
1 1 1    5   21    7 o  401.840   22.824  365.184   38.342  479.785   76.821  327.164   44.248  436.226   37.681  367.454   25.766 68.77252 45.64809 
1 1 1    5   21    8 o   68.743   20.564   11.452   7.1198   11.452   7.1198   0.0000   0.0000   68.743   20.564  ?   ?       ?      ? 
1 1 1    5   21    9 o  259.665   17.606  160.401   21.366   0.0000   0.0000  160.401   21.366  ?   ?   259.665   17.606      ?      ? 
1 1 1    5   21   10 o  264.273   17.648  166.253   21.797   0.0000   0.0000  166.253   21.797  ?   ?   264.273   17.648      ?      ? 
1 1 1    5   21   11 o  507.577   42.252  754.763   90.423  655.873  156.559  804.264  110.766  459.104   72.967  556.049   42.624 -96.94492 84.50406 
1 1 1    5   21   12 o  283.622   21.922  209.643   26.406  171.731   45.612  228.756   32.385  259.400   37.624  307.844   22.510 -48.44379 43.84356 
1 1 1    5   21   13 o  115.266   14.776   40.776   6.3311   18.589   12.475   48.474   7.3477   87.093   27.445  143.439   10.961 -56.34677 29.55265 
1 1 1    5   21   14 f  315.635   38.632  257.939   56.988   0.0000   0.0000  257.939   56.988  ?   ?   315.635   38.632      ?      ? 
1 1 1    5   21   15 f   85.944   14.517   18.829   5.8653   13.033   8.5330   24.020   8.0754   73.181   22.640   98.707   18.175 -25.52628 29.03308 
1 1 1    5   21   16 o  372.824   21.193  347.646   36.888  364.927   52.190  330.393   52.146  382.723   29.178  362.925   30.744 19.79807 42.38607 
1 1 1    5   21   17 o  272.346   23.616  189.677   29.594  153.951   41.758  225.729   41.947  244.201   36.589  300.490   29.870 -56.28889 47.23265 
1 1 1    5   21   18 o  303.948   19.444  211.617   26.510  299.122   45.997  168.095   32.439  346.897   28.372  261.000   26.594 85.89731 38.88705 
1 1 1    5   21   19 o  215.197   19.225  115.532   19.022  139.028   27.030   92.481   26.774  238.279   24.273  192.116   29.819 46.16261 38.44954 
1 1 1    5   21   20 o   44.971   12.730   1.5907   4.2540  -1.9206   5.9146   5.3536   6.1229   37.780   16.773   52.163   19.154 -14.38256 25.45944 
1 1 1    5   21   21 o  102.579   21.363   26.441   9.9089   26.441   9.9089   0.0000   0.0000  102.579   21.363  ?   ?       ?      ? 
1 1 1    5   21   22 o  119.999   21.697   36.039   11.720   36.039   11.720   0.0000   0.0000  119.999   21.697  ?   ?       ?      ? 
1 1 1    5   21   23 o  174.691   23.998   75.239   19.592   75.239   19.592   0.0000   0.0000  174.691   23.998  ?   ?       ?      ? 
1 1 1    5   21   25 o  167.814   23.503   69.793   18.433   69.793   18.433   0.0000   0.0000  167.814   23.503  ?   ?       ?      ? 
1 1 1    5   21   27 o  210.096   15.450   99.040   14.420  156.758   24.982   70.203   17.658  252.057   21.207  168.135   22.472 83.92278 30.89932 
1 1 1    5   21   28 o  154.936   14.619   59.687   9.9309   56.704   17.021   61.227   12.228  150.567   24.189  159.304   16.424 -8.737793 29.23808 
1 1 1    5   21   29 o   44.514   12.240   1.1120   3.9993   7.0576   6.0453  -3.5151   5.3330   55.824   19.179   33.204   15.214 22.61969 24.48015 
1 1 1    5   21   30 o   69.395   14.338   12.653   5.1646   6.3892   8.7308   16.025   6.4054   58.963   22.609   79.827   17.639 -20.86402 28.67623 
1 1 1    5   21   31 o  102.989   14.448   27.418   6.4857   24.058   10.880   29.270   8.0776   95.898   24.259  110.079   15.701 -14.18119 28.89692 
1 1 1    5   21   32 o  162.550   11.495   64.281   8.6684   54.940   12.115   74.077   12.408  150.030   17.279  175.070   15.165 -25.03995 22.98982 
1 1 1    5   21   33 o  139.920   11.585   48.042   7.4831   55.451   10.476   40.322   10.693  151.545   14.791  128.295   17.834 23.25035 23.16934 
1 1 1    5   21   34 o  179.435   15.401   80.257   12.168   79.768   14.926   81.226   21.010  180.629   17.682  178.241   25.221 2.387863 30.80187 
1 1 1    5   21   35 o   72.810   16.009   13.116   6.3224   7.5310   9.0114   18.530   8.8726   61.151   23.084   84.468   22.189 -23.31689 32.01866 
1 1 1    5   21   36 o  141.166   17.784   52.898   11.105   33.087   15.594   73.277   15.816  110.069   29.650  172.263   19.646 -62.19373 35.56812 
1 1 1    5   21   37 o   58.682   19.790   8.1203   6.4341   0.0000   0.0000   8.1203   6.4341  ?   ?    58.682   19.790      ?      ? 
1 1 1    5   21   38 o  211.996   18.726  111.348   18.553   0.0000   0.0000  111.348   18.553  ?   ?   211.996   18.726      ?      ? 
1 1 1    5   21   39 o  165.620   14.091   64.431   10.536   86.938   17.965   52.631   13.007  185.875   20.680  145.366   19.146 40.50858 28.18237 
1 1 1    5   21   40 o   70.218   11.849   12.522   4.5494   21.495   6.2011   2.0621   6.6950   94.322   14.067   46.113   19.070 48.20869 23.69716 
1 1 1    5   21   41 o  105.639   16.571   27.443   8.1814   27.443   8.1814   0.0000   0.0000  105.639   16.571  ?   ?       ?      ? 
1 1 1    5   21   42 o   65.506   13.210   9.8868   4.7097   3.2183   6.3118   18.264   7.0743   46.971   18.851   84.041   18.512 -37.06932 26.42079 
1 1 1    5   21   43 o   57.477   14.929   7.5518   5.3037   9.9666   6.1392   0.4470   10.531   62.429   19.186   52.525   22.878 9.904060 29.85820 
1 1 1    5   21   44 o   65.937   16.048   10.633   5.6036   10.361   6.6202   11.322   10.524   63.510   19.990   68.363   25.110 -4.853153 32.09526 
1 1 1    5   21   45 o   87.143   15.781   21.928   6.4725   25.002   7.6504   14.187   12.140  100.209   16.336   74.076   27.005 26.13274 31.56179 
1 1 1    5   21   46 o  109.404   15.703   31.629   7.5582   35.442   12.404   29.377   9.5321  113.351   24.154  105.458   20.074 7.892998 31.40670 
1 1 1    5   21   47 o   58.647   16.106   4.8514   6.8938  -3.0416   9.4514   13.824   10.077   45.463   20.607   71.830   24.757 -26.36691 32.21102 
1 1 1    5   21   48 o   56.107   14.413   7.1795   5.5861   11.919   6.4505  -7.0349   11.171   66.717   19.476   45.497   21.251 21.22062 28.82533 
1 1 1    5   21   49 o   69.395   20.440   13.238   7.0769   13.238   7.0769   0.0000   0.0000   69.395   20.440  ?   ?       ?      ? 
1 1 1    5   21   50 o  105.155   27.580   33.488   13.722   0.0000   0.0000   33.488   13.722  ?   ?   105.155   27.580      ?      ? 
1 1 1    5   21   51 o   76.067   18.755   16.635   9.3128   26.707   12.364   3.4261   14.159   92.950   26.914   59.184   26.128 33.76645 37.51089 
1 1 1    5   21   52 o  121.569   18.049   43.019   9.5329   55.348   16.483   36.824   11.685  131.650   27.670  111.489   23.182 20.16066 36.09761 
1 1 1    5   21   53 o   50.680   20.890   4.7249   7.9975   0.0000   0.0000   4.7249   7.9975  ?   ?    50.680   20.890      ?      ? 
1 1 1    5   21   54 o   81.348   15.960   20.594   6.6653   13.169   9.7539   27.098   9.1294   66.066   24.188   96.631   20.829 -30.56487 31.92000 
1 1 1    5   21   55 o   57.830   16.323   8.0895   6.3274   15.399   11.145   4.6128   7.6863   67.326   25.609   48.335   20.247 18.99097 32.64574 
1 1 1    5   21   56 o   65.399   16.858   14.607   6.7057   12.006   12.122   15.754   8.0495   61.125   25.500   69.673   22.056 -8.548122 33.71522 
1 1 1    5   21   57 o   55.446   16.595   5.8558   8.0197   17.495   11.773  -4.2219   10.955   67.882   26.196   43.009   20.381 24.87278 33.19054 
1 1 1    5   21   58 o   42.942   13.303   0.2260   4.7182  -3.1864   5.6021   8.5543   8.7518   32.004   14.981   53.879   21.989 -21.87566 26.60691 
1 1 1    5   21   59 o   42.287   12.872   3.3016   4.6013   2.7369   6.3618   3.9210   6.6632   41.130   17.849   43.444   18.551 -2.314339 25.74363 
1 1 1    5   22    0 o   59.428   11.593   9.9801   3.9379   9.9801   3.9379   9.9801   3.9379   59.428   16.395   59.428   16.395 -0.000000 0.000000 
1 1 1    5   22    1 o   87.665   9.6826   18.880   3.7390   16.507   5.8495   20.520   4.8619   82.017   15.834   93.313   11.149 -11.29571 19.36517 
1 1 1    5   22    2 o  234.676   12.537  129.416   13.552  143.484   21.424  120.031   17.498  244.854   18.722  224.499   16.678 20.35522 25.07305 
1 1 1    5   22    3 o   61.475   10.720   9.4571   3.0147   8.4166   4.8803   10.099   3.8336   58.744   16.881   64.205   13.217 -5.460869 21.43913 
1 1 1    5   22    4 o  127.146   11.284   37.891   5.8501   39.628   11.663   37.307   6.7623  128.525   19.416  125.768   11.505 2.757988 22.56892 
1 1 1    5   22    5 o  211.141   21.529  117.767   18.946   63.992   26.695  172.344   26.893  155.130   37.283  267.152   21.539 -112.0226 43.05750 
1 1 1    5   22    6 o  375.320   33.314  383.298   58.165  346.514   82.224  420.143   82.292  354.357   49.649  396.283   44.433 -41.92642 66.62866 
1 1 1    5   22    7 o  214.535   19.258  113.548   19.301  110.533   27.354  116.538   27.239  211.515   27.672  217.554   26.790 -6.039215 38.51572 
1 1 1    5   22    8 o  136.060   14.891   44.722   9.4670   45.837   13.431   43.620   13.346  137.788   20.856  134.332   21.259 3.456253 29.78145 
1 1 1    5   22    9 o  342.300   42.529  312.141   68.035  312.141   68.035   0.0000   0.0000  342.300   42.529  ?   ?       ?      ? 
1 1 1    5   22   10 o  229.205   28.952  130.796   31.013   0.0000   0.0000  130.796   31.013  ?   ?   229.205   28.952      ?      ? 
1 1 1    5   22   11 o  304.753   37.604  241.045   53.559   0.0000   0.0000  241.045   53.559  ?   ?   304.753   37.604      ?      ? 
1 1 1    5   22   12 o  258.699   31.979  168.987   38.664   0.0000   0.0000  168.987   38.664  ?   ?   258.699   31.979      ?      ? 
1 1 1    5   22   13 o  344.741   43.216  319.052   69.628   0.0000   0.0000  319.052   69.628  ?   ?   344.741   43.216      ?      ? 
1 1 1    5   22   14 o  285.379   35.388  209.738   47.197   0.0000   0.0000  209.738   47.197  ?   ?   285.379   35.388      ?      ? 
1 1 1    5   22   15 o  255.779   21.608  158.892   25.830   0.0000   0.0000  158.892   25.830  ?   ?   255.779   21.608      ?      ? 
1 1 1    5   22   16 o  188.514   24.772   87.492   21.825   0.0000   0.0000   87.492   21.825  ?   ?   188.514   24.772      ?      ? 
1 1 1    5   22   17 o  188.454   25.031   87.660   22.046   0.0000   0.0000   87.660   22.046  ?   ?   188.454   25.031      ?      ? 
1 1 1    5   22   18 o  250.063   31.376  159.392   36.668   0.0000   0.0000  159.392   36.668  ?   ?   250.063   31.376      ?      ? 
1 1 1    5   22   19 o   44.891   11.788   1.7292   3.9153  -5.2854   5.7512   7.7884   5.3452   32.717   15.270   57.065   17.963 -24.34804 23.57601 
1 1 1    5   22   21 o  205.438   26.879  106.260   25.807  106.260   25.807   0.0000   0.0000  205.438   26.879  ?   ?       ?      ? 
1 1 1    5   22   22 o   54.627   13.319   6.0587   4.2186   3.2353   5.5759   9.8386   6.4515   45.831   17.932   63.424   19.697 -17.59283 26.63715 
1 1 1    5   22   23 o  117.796   13.339   34.429   6.8449   33.709   11.353   34.839   8.5797  115.176   21.891  120.416   15.246 -5.240189 26.67704 
1 1 1    5   22   24 o  146.868   22.147   53.475   15.201   53.475   15.201   0.0000   0.0000  146.868   22.147  ?   ?       ?      ? 
1 1 1    5   22   25 o  210.901   19.140  120.790   16.411   93.970   28.214  134.504   20.175  186.555   33.596  235.248   18.350 -48.69359 38.28046 
1 1 1    5   22   26 o  101.330   11.317   24.989   5.1634   19.930   7.0838   30.723   7.5420   89.331   17.594  113.328   14.240 -23.99747 22.63428 
1 1 1    5   22   27 o  189.733   12.189   87.248   10.800   83.426   15.266   91.077   15.281  185.422   17.617  194.044   16.850 -8.622345 24.37776 
1 1 1    5   22   28 o  130.049   11.161   40.883   6.7773   42.371   9.5225   39.355   9.6479  132.559   15.371  127.540   16.186 5.019432 22.32173 
1 1 1    5   22   29 o  106.864   12.740   29.511   5.9373   40.016   8.3051   18.530   8.4912  129.076   13.768   84.652   21.440 44.42337 25.47961 
1 1 1    5   22   30 o  397.092   25.072  439.771   46.233  391.442   65.345  488.214   65.422  371.064   37.681  423.120   33.084 -52.05606 50.14352 
1 1 1    5   22   31 f  161.073   11.680   63.096   8.7825   59.287   12.338   67.007   12.504  155.988   16.925  166.157   16.102 -10.16899 23.36086 
1 1 1    5   22   32 o  143.525   16.077   55.940   9.4135   62.517   11.549   42.918   16.250  160.782   15.369  126.269   28.244 34.51289 32.15492 
1 1 1    5   22   33 o  154.303   13.646   55.644   9.4601   48.270   11.601   70.279   16.344  140.504   17.667  168.103   20.803 -27.59901 27.29293 
1 1 1    5   22   34 o  259.170   24.656  184.737   29.814  174.189   42.158  195.290   42.168  250.466   36.015  267.875   33.683 -17.40915 49.31190 
1 1 1    5   22   35 o  249.076   18.589  152.939   20.736  186.713   35.920  136.058   25.395  266.331   28.858  231.821   23.440 34.50922 37.17810 
1 1 1    5   22   36 o  151.843   14.974   58.375   9.9761   57.413   17.186   58.864   12.252  148.872   24.701  154.814   16.933 -5.942581 29.94818 
1 1 1    5   22   37 f   53.968   14.479   5.1250   4.8110   3.5762   5.8936   8.2184   8.3288   46.915   18.413   61.021   22.349 -14.10614 28.95775 
1 1 1    5   22   38 o  157.391   11.939   60.866   8.7267   52.961   12.257   68.992   12.427  146.546   17.897  168.235   15.806 -21.68956 23.87719 
1 1 1    5   22   39 f  107.918   15.348   29.940   7.2001   30.809   12.454   29.504   8.8243  106.569   25.371  109.267   17.280 -2.697754 30.69659 
1 1 1    5   22   40 o  107.503   12.322   29.221   5.9031   21.738   8.1793   37.354   8.5280   91.336   19.738  123.669   14.755 -32.33360 24.64335 
1 1 1    5   22   41 o  201.232   18.098  109.444   15.802  103.029   27.186  112.717   19.420  191.589   30.362  210.876   19.705 -19.28693 36.19556 
1 1 1    5   22   42 o  118.497   11.948   35.093   6.5798   36.782   9.0054   33.160   9.6372  122.028   15.791  114.966   17.936 7.061539 23.89686 
1 1 1    5   22   43 o   60.282   14.060   8.6991   4.7155   5.4699   6.3642   12.630   7.0215   51.403   19.400   69.160   20.357 -17.75681 28.12071 
1 1 1    5   22   44 o   53.394   14.686   5.1392   5.5312   0.0004   8.6385   8.7101   7.2010   47.185   20.632   59.603   20.906 -12.41747 29.37245 
1 1 1    5   22   45 f   41.076   13.281  -5.7253   6.0880   0.7725   7.9102 -15.1669   9.5352   46.336   20.005   35.817   17.472 10.51903 26.56112 
1 1 1    5   22   46 o   81.504   17.876   19.201   7.9681   25.114   10.589   11.483   12.098   94.390   23.962   68.618   26.534 25.77155 35.75262 
1 1 1    5   22   47 o   69.922   24.140   13.575   9.5831   13.575   9.5831   0.0000   0.0000   69.922   24.140  ?   ?       ?      ? 
1 1 1    5   22   48 o   51.759   21.434   4.0420   8.4742   4.0420   8.4742   0.0000   0.0000   51.759   21.434  ?   ?       ?      ? 
1 1 1    5   22   49 o   79.810   19.019   19.218   8.3985   19.189   12.175   19.245   11.600   79.642   27.221   79.978   26.568 -0.3366547 38.03761 
1 1 1    5   22   50 o  163.157   16.744   73.283   12.293   92.707   21.096   63.296   15.127  175.956   25.653  150.357   21.527 25.59959 33.48886 
1 1 1    5   22   51 o  113.412   20.856   43.594   11.690   29.108   15.845   60.899   17.318   89.195   31.026  137.629   27.879 -48.43464 41.71158 
1 1 1    5   22   52 o   51.707   13.813   5.6147   5.0812   10.610   6.6812  -1.2381   7.8255   61.495   20.150   41.919   18.898 19.57597 27.62583 
1 1 1    5   22   53 o   80.179   23.257   20.535   9.2243   0.0000   0.0000   20.535   9.2243  ?   ?    80.179   23.257      ?      ? 
1 1 1    5   22   54 f   61.812   17.645   9.5353   8.4845  -0.5130   11.420   21.917   12.676   47.601   21.974   76.022   27.613 -28.42107 35.28975 
1 1 1    5   22   55 o   49.795   15.961   1.7273   8.0649  -3.6570   10.828   8.4355   12.086   43.387   20.470   56.203   24.495 -12.81606 31.92203 
1 1 1    5   22   56 o   30.638   10.564  -8.2360   4.7017  -6.2816   5.7291 -12.2674   8.2283   29.359   14.134   31.917   15.705 -2.558212 21.12862 
1 1 1    5   22   57 o   42.831   13.040   3.2234   4.7271   3.2017   6.6529   3.2455   6.7178   42.747   18.401   42.915   18.482 -0.1684074 26.08097 
1 1 1    5   23    0 o  282.252   25.720  204.222   45.790  204.222   45.790  204.222   45.790  282.252   36.374  282.252   36.374 -0.000000 0.000000 
1 1 1    5   23    1 o  145.961   15.189   51.711   10.333   47.509   14.626   55.898   14.599  139.807   22.385  152.115   20.536 -12.30783 30.37832 
1 1 1    5   23    2 o  308.539   26.999  249.126   38.677  278.717   54.724  219.593   54.670  329.023   35.589  288.056   40.610 40.96750 53.99719 
1 1 1    5   23    3 f   90.210   14.595   20.458   6.0447   23.734   8.5545   17.191   8.5424   97.712   19.417   82.708   21.794 15.00463 29.18906 
1 1 1    5   23    4 f  115.800   14.931   32.989   7.9074   34.734   11.161   31.231   11.205  120.003   19.900  111.596   22.265 8.406799 29.86172 
1 1 1    5   23    5 f  311.967   27.203  255.493   39.445  227.747   55.730  283.345   55.836  292.936   40.708  330.999   36.095 -38.06241 54.40535 
1 1 1    5   23    6 o  241.361   30.114  146.367   33.968   0.0000   0.0000  146.367   33.968  ?   ?   241.361   30.114      ?      ? 
1 1 1    5   23    7 o  176.210   16.096   74.140   13.255   0.0000   0.0000   74.140   13.255  ?   ?   176.210   16.096      ?      ? 
1 1 1    5   23    8 o   67.426   15.164   11.248   4.6627   0.0000   0.0000   11.248   4.6627  ?   ?    67.426   15.164      ?      ? 
1 1 1    5   23    9 f  300.990   25.055  223.314   35.244   0.0000   0.0000  223.314   35.244  ?   ?   300.990   25.055      ?      ? 
1 1 1    5   23   10 o  207.083   17.696  102.993   17.127   0.0000   0.0000  102.993   17.127  ?   ?   207.083   17.696      ?      ? 
1 1 1    5   23   11 o   41.843   17.225   1.4528   5.4285   0.0000   0.0000   1.4528   5.4285  ?   ?    41.843   17.225      ?      ? 
1 1 1    5   23   12 o  204.073   14.476   94.820   13.287  125.626   22.936   79.260   16.301  227.038   21.616  181.108   19.259 45.92993 28.95142 
1 1 1    5   23   13 f  145.607   13.477   52.022   8.5649   48.869   14.793   53.612   10.505  141.320   22.398  149.893   14.996 -8.572968 26.95407 
1 1 1    5   23   14 o   70.390   14.614   12.268   5.1409   13.742   7.3339   10.843   7.2083   74.029   20.498   66.751   20.835 7.277573 29.22734 
1 1 1    5   23   15 o  287.857   36.427  219.541   49.005   0.0000   0.0000  219.541   49.005  ?   ?   287.857   36.427      ?      ? 
1 1 1    5   23   16 o  159.407   13.103   59.545   9.2852   68.056   16.217   55.394   11.325  166.880   20.794  151.933   15.950 14.94745 26.20623 
1 1 1    5   23   17 o  221.433   17.264  122.516   16.765  120.899   28.982  123.328   20.553  217.860   28.464  225.006   19.545 -7.146408 34.52854 
1 1 1    5   23   18 o   69.486   11.967   13.351   3.6878   7.2879   7.3756   15.372   4.2583   58.463   21.089   80.509   11.318 -22.04566 23.93421 
1 1 1    5   23   19 o  302.790   17.808  231.139   25.140  213.889   35.533  248.428   35.575  290.600   26.163  314.980   24.166 -24.38019 35.61649 
1 1 1    5   23   20 o  164.191   10.164   64.166   7.6432   66.851   12.177   62.420   9.8183  166.630   15.637  161.753   12.988 4.876358 20.32704 
1 1 1    5   23   21 o   83.589   12.834   19.182   4.8361   23.789   6.0327   10.897   8.0898   99.901   12.921   67.277   22.179 32.62365 25.66855 
1 1 1    5   23   22 o  190.054   12.312   87.668   10.868   98.815   15.405   76.622   15.336  202.532   16.275  177.576   18.479 24.95586 24.62427 
1 1 1    5   23   23 o  175.092   11.926   74.506   9.6377   61.072   13.557   88.233   13.704  158.527   18.298  191.657   15.299 -33.12964 23.85160 
1 1 1    5   23   24 o  176.892   11.320   75.489   9.3219   67.053   12.981   84.472   13.395  166.448   16.687  187.337   15.300 -20.88872 22.63930 
1 1 1    5   23   25 f  252.076   15.769  159.707   18.366  184.792   25.893  134.309   26.054  273.554   20.253  230.597   24.176 42.95726 31.53807 
1 1 1    5   23   26 o   40.125   12.332  -0.4395   4.2580   0.3835   5.4742  -1.7001   6.7750   39.630   16.866   40.621   17.996 -0.9910851 24.66425 
1 1 1    5   23   27 o  201.081   12.811   99.491   11.952   85.746   16.804  113.565   17.004  186.339   19.295  215.824   16.858 -29.48540 25.62213 
1 1 1    5   23   28 o  169.087   12.089   70.023   9.4886   78.550   13.370   61.369   13.468  179.984   15.895  158.189   18.218 21.79520 24.17717 
1 1 1    5   23   29 o   85.604   14.724   19.168   5.6651   20.123   7.0087   17.370   9.6220   89.457   17.390   81.750   23.764 7.707153 29.44777 
1 1 1    5   23   30 o  217.281   15.680  108.359   15.232   81.882   18.637  161.643   26.438  180.763   22.060  253.799   22.289 -73.03607 31.36038 
1 1 1    5   23   31 o  186.689   26.432   89.777   23.062   89.777   23.062   0.0000   0.0000  186.689   26.432  ?   ?       ?      ? 
1 1 1    5   23   32 o  274.871   26.608  213.628   33.896  187.154   47.911  240.157   47.961  254.271   40.318  295.472   34.732 -41.20117 53.21506 
1 1 1    5   23   33 o  116.286   15.806   38.725   7.7329   24.100   13.198   46.370   9.5424   94.199   27.958  138.373   14.756 -44.17425 31.61272 
1 1 1    5   23   34 o   46.959   18.692   3.3064   6.1531   0.0000   0.0000   3.3064   6.1531  ?   ?    46.959   18.692      ?      ? 
1 1 1    5   23   35 o  126.346   11.694   39.250   6.8586   41.463   9.3673   36.694   10.070  130.596   15.348  122.096   17.647 8.500336 23.38756 
1 1 1    5   23   36 o  140.503   13.566   46.163   8.5487   39.128   10.447   60.420   14.872  125.915   17.753  155.091   20.518 -29.17598 27.13235 
1 1 1    5   23   37 o  218.201   14.272  120.232   14.553  120.060   20.475  120.407   20.688  218.122   20.086  218.279   20.280 -0.1579895 28.54302 
1 1 1    5   23   38 o  104.332   16.643   32.091   7.6840   37.241   9.1919   20.141   14.002  122.977   15.993   85.688   29.192 37.28899 33.28601 
1 1 1    5   23   39 o  188.285   16.399   91.797   13.665   90.022   16.829   95.232   23.411  188.867   19.066  187.702   26.687 1.165268 32.79845 
1 1 1    5   23   40 o  166.775   15.304   67.358   11.469   90.615   19.853   55.708   14.051  186.054   22.832  147.496   20.384 38.55775 30.60719 
1 1 1    5   23   41 o  154.609   12.558   60.615   8.9834   68.061   12.509   52.686   12.909  165.433   16.179  143.785   19.211 21.64798 25.11634 
1 1 1    5   23   42 o   63.270   15.550   9.7444   5.4280   11.592   9.1942   8.7561   6.7251   67.270   23.621   59.271   20.231 7.999664 31.10056 
1 1 1    5   23   43 o   55.781   14.887   6.5296   5.0666   8.2393   8.7555   5.6689   6.2125   60.218   22.748   51.344   19.210 8.873821 29.77424 
1 1 1    5   23   44 o   74.750   17.167   15.202   7.2869   21.482   10.088   8.3502   10.537   87.247   23.993   62.252   24.561 24.99556 34.33488 
1 1 1    5   23   45 o  173.357   15.065   74.623   11.663   60.373   14.164  104.630   20.553  150.922   20.081  195.792   22.462 -44.87025 30.12907 
1 1 1    5   23   46 o   84.545   25.338   21.002   10.802   21.002   10.802   0.0000   0.0000   84.545   25.338  ?   ?       ?      ? 
1 1 1    5   23   47 o   73.326   18.275   15.414   7.8897   12.463   11.489   18.048   10.854   68.396   26.005   78.256   25.685 -9.859100 36.55077 
1 1 1    5   23   48 o   86.944   18.883   24.071   8.5224   20.679   12.728   26.827   11.474   80.441   27.818   93.448   25.543 -13.00636 37.76577 
1 1 1    5   23   49 o   61.766   15.513   11.034   6.1677   1.9027   11.157   15.053   7.4015   51.711   22.993   71.822   20.832 -20.11135 31.02680 
1 1 1    5   23   50 o   69.142   17.263   13.106   7.4012   5.8081   10.073   21.668   10.911   55.326   23.177   82.958   25.590 -27.63264 34.52576 
1 1 1    5   23   51 o  109.479   17.385   36.928   8.4576   41.809   13.890   34.052   10.662  112.412   26.814  106.545   22.136 5.867851 34.77042 
1 1 1    5   23   52 o   59.082   17.556   9.8147   8.2657   11.542   10.806   7.3783   12.833   61.166   24.624   56.998   25.029 4.167797 35.11163 
1 1 1    5   23   53 o   51.037   15.419   5.7121   5.8728   5.8281   6.6816   5.3182   12.314   48.562   19.429   53.513   23.949 -4.950806 30.83877 
1 1 1    5   23   54 o   68.635   14.924   11.213   5.8282   2.2464   7.1086   29.601   10.179   42.889   18.736   94.381   23.234 -51.49185 29.84703 
1 1 1    5   23   55 o   90.988   14.311   26.023   6.1304   19.435   8.6282   32.740   8.7119   75.370   22.659  106.606   17.486 -31.23647 28.62126 
1 1 1    5   23   56 o   42.807   13.177   3.0618   5.0209   0.4727   7.5802   5.0856   6.7019   40.190   18.309   45.424   18.956 -5.233902 26.35451 
1 1 1    5   24    0 o  174.150   11.681   73.651   13.167   73.651   13.167   73.651   13.167  174.150   16.519  174.150   16.519 -0.000000 0.000000 
1 1 1    5   24    1 o  164.490   11.259   64.816   8.6446   61.250   12.243   68.361   12.208  159.859   16.388  169.121   15.445 -9.262314 22.51893 
1 1 1    5   24    2 o  165.330   11.235   65.432   8.6767   68.075   12.306   62.819   12.235  168.720   15.607  161.941   16.167 6.778946 22.47075 
1 1 1    5   24    3 o  169.898   11.544   69.309   9.1385   75.410   12.929   63.218   12.919  177.574   15.579  162.222   17.040 15.35246 23.08817 
1 1 1    5   24    4 o  223.249   17.707  126.026   17.145  116.074   29.665  131.018   21.008  213.900   29.675  232.599   19.326 -18.69963 35.41357 
1 1 1    5   24    5 o  142.156   10.574   48.262   7.0246   47.441   9.9186   49.089   9.9499  140.921   15.060  143.392   14.847 -2.471130 21.14848 
1 1 1    5   24    6 o  157.500   11.070   59.575   8.0983   51.977   11.419   67.264   11.487  147.127   16.607  167.873   14.641 -20.74554 22.13943 
1 1 1    5   24    7 o  255.887   18.283  158.827   20.787  178.754   36.163  148.994   25.403  265.306   29.166  246.468   22.054 18.83772 36.56563 
1 1 1    5   24    8 o  331.446   22.046  269.757   34.150   0.0000   0.0000  269.757   34.150  ?   ?   331.446   22.046      ?      ? 
1 1 1    5   24    9 o  244.940   17.430  148.145   17.201  151.486   34.421  147.033   19.858  242.926   30.319  246.955   17.206 -4.028900 34.86069 
1 1 1    5   24   10 o  180.203   13.548   77.418   11.410   0.0000   0.0000   77.418   11.410  ?   ?   180.203   13.548      ?      ? 
1 1 1    5   24   11 o   48.807   12.382   4.4330   3.4464   7.0955   5.9827   3.1107   4.2163   55.853   19.082   41.761   15.783 14.09223 24.76348 
1 1 1    5   24   12 o  114.354   11.973   31.071   6.3989   0.0000   0.0000   31.071   6.3989  ?   ?   114.354   11.973      ?      ? 
1 1 1    5   24   13 o  247.148   18.901  159.284   18.381  145.805   36.706  163.796   21.236  234.319   33.519  259.977   17.478 -25.65778 37.80182 
1 1 1    5   24   14 o  154.125   15.733   57.213   11.332   0.0000   0.0000   57.213   11.332  ?   ?   154.125   15.733      ?      ? 
1 1 1    5   24   15 o  138.145   13.339   48.532   7.1349   44.076   14.004   50.094   8.2917  131.213   23.710  145.078   12.229 -13.86539 26.67767 
1 1 1    5   24   16 o  128.177   13.765   42.368   7.3929   45.962   9.1471   35.599   12.554  138.595   14.122  117.760   23.633 20.83458 27.53072 
1 1 1    5   24   17 o   54.044   11.717   7.0754   3.2415   7.3598   4.6237   6.8004   4.5458   54.947   16.603   53.141   16.539 1.805706 23.43434 
1 1 1    5   24   18 o  161.206   10.089   62.225   7.4299   61.929   11.798   62.419   9.5647  160.484   15.731  161.928   12.639 -1.443817 20.17896 
1 1 1    5   24   19 f  158.174   10.559   61.477   7.5271   53.763   11.890   66.636   9.7240  149.053   17.068  167.295   12.437 -18.24168 21.11872 
1 1 1    5   24   20 o  199.773   12.772   97.306   11.906   91.271   16.840  103.335   16.833  193.310   18.640  206.236   17.465 -12.92528 25.54382 
1 1 1    5   24   21 f   81.647   11.011   16.731   4.0589   24.678   5.8699   9.4492   5.6186  101.697   12.350   61.597   18.232 40.10046 22.02162 
1 1 1    5   24   22 o  158.246   13.722   60.639   9.6298   58.250   11.794   65.417   16.679  154.884   16.294  161.608   22.083 -6.724518 27.44357 
1 1 1    5   24   23 o  160.081   11.400   62.991   8.3231   78.870   11.837   47.460   11.706  181.039   13.990  139.123   18.004 41.91643 22.80005 
1 1 1    5   24   24 o  221.046   13.945  120.951   14.386  113.709   20.308  128.245   20.382  214.035   20.302  228.058   19.123 -14.02332 27.89079 
1 1 1    5   24   25 f  103.508   11.096   26.049   5.1092   19.057   6.8868   34.608   7.6198   86.947   17.553  120.070   13.579 -33.12304 22.19218 
1 1 1    5   24   26 o   57.666   12.850   7.8757   4.3950   0.5905   6.9899   12.639   5.6520   44.680   19.038   70.653   17.264 -25.97290 25.69978 
1 1 1    5   24   27 o  199.077   18.351   97.243   17.074   97.243   17.074   0.0000   0.0000  199.077   18.351  ?   ?       ?      ? 
1 1 1    5   24   28 o  268.806   25.917  202.078   32.489  214.136   45.848  189.917   46.044  278.557   35.218  259.055   38.031 19.50226 51.83310 
1 1 1    5   24   29 o  201.699   27.617  105.724   26.032  105.724   26.032   0.0000   0.0000  201.699   27.617  ?   ?       ?      ? 
1 1 1    5   24   30 o  132.843   13.286   40.873   7.9359   54.576   13.713   33.973   9.7311  148.111   19.810  117.576   17.709 30.53479 26.57198 
1 1 1    5   24   31 o  183.292   14.529   78.901   11.947  106.361   20.783   65.347   14.601  204.749   21.719  161.835   19.305 42.91367 29.05838 
1 1 1    5   24   32 o   96.580   17.765   23.596   7.7229   0.0000   0.0000   23.596   7.7229  ?   ?    96.580   17.765      ?      ? 
1 1 1    5   24   33 o  267.077   17.216  184.837   21.236  213.500   29.949  155.849   30.118  290.246   22.079  243.908   26.421 46.33818 34.43156 
1 1 1    5   24   34 o  121.057   11.748   35.981   6.6365   33.363   9.1818   38.845   9.6033  116.355   16.885  125.758   16.340 -9.402641 23.49648 
1 1 1    5   24   35 o  126.483   13.899   38.861   7.8324   35.624   9.5662   45.446   13.642  119.934   17.067  133.032   21.943 -13.09798 27.79856 
1 1 1    5   24   36 o   92.080   13.446   22.060   5.5855   23.137   7.6840   20.852   8.1332   94.973   17.970   89.187   20.005 5.785744 26.89126 
1 1 1    5   24   37 o   70.379   15.680   12.500   6.4262   19.800   8.6912   3.6941   9.5448   86.071   21.632   54.687   22.705 31.38435 31.36004 
1 1 1    5   24   38 o   62.618   14.383   9.9660   4.8044   9.5504   6.5179   10.460   7.1095   61.331   19.893   63.904   20.779 -2.572315 28.76602 
1 1 1    5   24   39 o   69.020   13.188   7.1608   5.4794   26.737   9.0908  -4.0088   6.8669  100.691   20.023   37.349   17.168 63.34232 26.37568 
1 1 1    5   24   40 o   94.313   17.633   25.180   7.9995   20.438   11.520   29.595   11.117   84.903   26.313  103.722   23.480 -18.81900 35.26551 
1 1 1    5   24   41 o   60.198   14.452   5.6818   5.1754   17.576   8.9610  -0.2714   6.3396   79.866   22.852   40.530   17.700 39.33605 28.90486 
1 1 1    5   24   42 o   78.537   17.448   17.444   7.1547   16.236   10.319   18.562   9.9284   76.082   25.048   80.992   24.297 -4.909393 34.89609 
1 1 1    5   24   43 o   78.655   15.265   18.123   5.8960   21.087   7.3449   12.752   9.8867   88.898   18.289   68.413   24.446 20.48566 30.52992 
1 1 1    5   24   44 o  108.907   26.490   35.176   13.354   35.176   13.354   0.0000   0.0000  108.907   26.490  ?   ?       ?      ? 
1 1 1    5   24   45 o   87.445   19.601   23.524   8.9724   23.606   13.281   23.455   12.169   87.129   28.403   87.761   27.019 -0.6326370 39.20151 
1 1 1    5   24   46 f  115.620   19.736   42.008   10.542   45.836   15.380   38.616   14.477  120.960   27.791  110.280   28.030 10.67995 39.47180 
1 1 1    5   24   47 o  105.412   19.549   36.415   9.8664   43.901   14.356   29.713   13.583  117.415   26.758   93.409   28.508 24.00571 39.09813 
1 1 1    5   24   48 o   52.382   15.103   3.9968   6.2840  -2.8766   9.0116   10.503   8.7674   42.968   19.720   61.796   22.880 -18.82730 30.20546 
1 1 1    5   24   49 o   62.497   17.363   10.871   7.5008   14.563   10.886   7.5349   10.349   68.053   25.436   56.941   23.642 11.11192 34.72661 
1 1 1    5   24   50 o  120.840   19.579   51.740   11.550   72.034   16.852   33.762   15.861  151.265   23.838   90.415   31.065 60.84953 39.15707 
1 1 1    5   24   51 o   58.680   15.002   10.768   5.5574   13.394   6.9065   5.9459   9.3600   65.685   20.376   51.675   22.025 14.00937 30.00462 
1 1 1    5   24   52 f   53.006   14.509   8.0779   5.4790   11.147   6.6575   1.6371   9.6447   59.778   20.131   46.234   20.899 13.54346 29.01764 
1 1 1    5   24   53 o   56.105   14.024   9.0648   4.8940   4.2609   6.7514   14.384   7.1044   45.310   18.977   66.900   20.652 -21.59007 28.04714 
1 1 1    5   24   54 o   52.914   15.763   8.6505   6.6420   7.4159   10.573   9.4552   8.5367   51.838   22.742   53.989   21.833 -2.151115 31.52633 
1 1 1    5   25    0 o   54.954   14.542   9.6608   4.9264   9.6608   4.9264   9.6608   4.9264   54.954   20.565   54.954   20.565 -0.000000 0.000000 
1 1 1    5   25    1 o   62.205   11.347   9.7650   3.3506   11.326   4.5781   7.9644   4.9171   67.439   14.921   56.970   17.100 10.46895 22.69477 
1 1 1    5   25    2 o  211.833   12.435  110.525   11.939  101.158   18.860  116.790   15.423  203.148   19.865  220.518   14.965 -17.36986 24.87062 
1 1 1    5   25    3 o  207.350   13.036  104.701   12.631  106.387   17.937  103.043   17.791  209.039   18.360  205.660   18.510 3.379761 26.07125 
1 1 1    5   25    4 o   69.677   13.007   12.366   4.1743   11.255   7.1726   12.935   5.1332   67.365   20.743   71.989   15.699 -4.624313 26.01458 
1 1 1    5   25    5 o   54.945   10.865   7.5723   2.8837   6.4947   4.6200   8.2601   3.6910   52.242   16.728   57.648   13.869 -5.405209 21.72913 
1 1 1    5   25    6 o   43.651   10.549   4.2473   2.6112   3.1520   3.9810   5.0743   3.4594   41.164   15.382   46.137   14.439 -4.973595 21.09727 
1 1 1    5   25    7 f   91.715   11.813   19.781   4.3200   22.617   8.7271   18.860   4.9718   94.366   20.384   89.064   11.945 5.301788 23.62597 
1 1 1    5   25    8 o  261.351   27.583  224.364   24.339  124.444   48.570  257.871   28.126  197.131   51.978  325.570   18.485 -128.4388 55.16664 
1 1 1    5   25    9 o   97.156   11.457   22.399   5.2020   0.0000   0.0000   22.399   5.2020  ?   ?    97.156   11.457      ?      ? 
1 1 1    5   25   10 o  125.868   14.646   37.949   8.6156   0.0000   0.0000   37.949   8.6156  ?   ?   125.868   14.646      ?      ? 
1 1 1    5   25   11 o   58.922   15.398   8.6408   4.2873   0.0000   0.0000   8.6408   4.2873  ?   ?    58.922   15.398      ?      ? 
1 1 1    5   25   12 o  216.926   15.302  115.631   13.386  116.720   26.706  115.266   15.469  214.689   26.617  219.163   15.103 -4.474808 30.60307 
1 1 1    5   25   13 o   28.114   9.2773  -5.8933   2.9105  -0.3904   4.8622  -8.9663   3.6334   36.210   15.659   20.018   9.9535 16.19200 18.55454 
1 1 1    5   25   14 o  190.749   13.207   81.718   10.522  105.350   21.064   73.860   12.146  206.148   21.863  175.350   14.821 30.79823 26.41334 
1 1 1    5   25   15 o  170.772   14.450   75.296   9.7459   65.075   19.170   78.859   11.318  159.989   25.638  181.555   13.338 -21.56563 28.89997 
1 1 1    5   25   16 o  328.237   24.823  303.379   31.439  271.551   62.803  314.022   36.317  301.594   44.557  354.881   21.897 -53.28680 49.64687 
1 1 1    5   25   17 o   55.990   11.846   7.7091   3.3658   6.4496   4.7394   8.9907   4.7809   52.095   16.966   59.884   16.537 -7.789101 23.69273 
1 1 1    5   25   18 o  175.794   10.438   72.941   8.4639   85.284   13.348   64.641   10.946  187.782   15.210  163.806   14.298 23.97568 20.87516 
1 1 1    5   25   19 o  162.582   10.155   63.842   7.5506   63.018   11.920   64.395   9.7578  161.173   15.825  163.991   12.732 -2.818024 20.31083 
1 1 1    5   25   20 o  103.292   13.374   28.545   5.2288   23.246   10.693   30.211   5.9944   93.969   24.201  112.615   11.390 -18.64612 26.74709 
1 1 1    5   25   21 o  204.090   15.431   99.467   14.081  120.904   24.497   88.890   17.207  218.350   24.006  189.829   19.395 28.52036 30.86204 
1 1 1    5   25   22 o  116.174   11.249   30.722   5.2415   36.778   11.013   28.949   5.9599  122.132   19.294  110.216   11.570 11.91519 22.49747 
1 1 1    5   25   23 o  104.488   11.108   27.655   4.9970   38.292   7.1067   17.254   7.0275  126.661   12.006   82.314   18.694 44.34714 22.21696 
1 1 1    5   25   24 o   60.089   12.526   9.7582   4.3374   13.963   5.0628  -1.8415   8.4091   74.845   14.997   45.334   20.069 29.51096 25.05279 
1 1 1    5   25   25 o  283.844   21.089  208.266   26.459  199.384   32.367  226.158   45.937  279.960   24.738  287.728   34.162 -7.768524 42.17787 
1 1 1    5   25   26 f  142.521   12.997   47.396   8.1983   42.543   9.9045   57.958   14.611  132.364   16.011  152.678   20.476 -20.31395 25.99305 
1 1 1    5   25   27 o  287.227   29.528  251.251   39.543  266.247   55.873  236.202   55.971  298.494   40.052  275.960   43.398 22.53467 59.05540 
1 1 1    5   25   28 o  122.197   14.829   40.189   7.6259   31.957   12.796   44.724   9.4968  108.788   25.595  135.606   14.985 -26.81809 29.65874 
1 1 1    5   25   29 o   82.116   18.594   17.283   6.9700   0.0000   0.0000   17.283   6.9700  ?   ?    82.116   18.594      ?      ? 
1 1 1    5   25   30 o  134.545   11.384   44.331   7.1336   47.691   9.9936   40.841   10.186  140.049   15.269  129.040   16.890 11.00906 22.76877 
1 1 1    5   25   31 o  152.019   12.173   57.588   8.5072   68.607   11.997   46.441   12.066  167.642   15.312  136.395   18.928 31.24721 24.34613 
1 1 1    5   25   32 o  224.370   14.710  128.060   15.413  133.496   21.813  122.641   21.781  229.532   20.334  219.209   21.261 10.32336 29.41923 
1 1 1    5   25   33 o   71.174   13.847   13.233   4.7689   14.634   6.7219   11.814   6.7667   74.875   19.137   67.474   20.017 7.401054 27.69308 
1 1 1    5   25   34 o  186.853   13.197   87.902   11.519   90.430   16.254   85.350   16.328  189.795   18.324  183.912   18.997 5.883118 26.39439 
1 1 1    5   25   35 f  117.283   15.118   32.796   7.4188   27.398   8.7491   46.608   13.996  102.860   18.897  131.706   23.605 -28.84565 30.23672 
1 1 1    5   25   36 o   78.914   13.939   16.489   5.1232   16.253   7.1165   16.742   7.3812   78.401   19.503   79.428   19.920 -1.026993 27.87753 
1 1 1    5   25   37 o   83.041   15.561   17.128   6.1727   27.314   10.180   11.205   7.7625  100.388   22.280   65.694   21.729 34.69375 31.12147 
1 1 1    5   25   38 o   76.741   15.975   15.035   6.0241   21.363   9.9285   11.349   7.5784   87.679   23.675   65.803   21.456 21.87582 31.95086 
1 1 1    5   25   39 o   61.452   23.381   8.6354   9.2913   0.0000   0.0000   8.6354   9.2913  ?   ?    61.452   23.381      ?      ? 
1 1 1    5   25   40 o   90.909   17.974   23.868   8.2288   16.383   11.455   31.850   11.829   76.002   26.383  105.816   24.416 -29.81435 35.94741 
1 1 1    5   25   41 f   84.951   15.733   20.355   6.1480   20.444   7.6165   20.186   10.415   86.879   19.264   83.024   24.880 3.854774 31.46621 
1 1 1    5   25   42 o   48.646   20.956   1.6865   8.6407   1.6865   8.6407   0.0000   0.0000   48.646   20.956  ?   ?       ?      ? 
1 1 1    5   25   43 o   84.523   16.124   22.279   6.6773   25.968   7.9526   13.461   12.294   98.882   17.866   70.164   26.847 28.71820 32.24853 
1 1 1    5   25   44 f   62.222   17.101   9.7726   7.3564   5.2293   10.881   13.598   9.9839   56.040   23.812   68.404   24.552 -12.36419 34.20298 
1 1 1    5   25   45 o  145.087   18.683   66.659   11.175   60.715   19.836   69.423   13.525  129.691   32.726  160.482   18.033 -30.78999 37.36557 
1 1 1    5   25   46 o   41.701   13.659 -10.4820   6.3371   5.2759   10.415 -19.7454   7.9854   55.062   23.342   28.339   14.193 26.72247 27.31822 
1 1 1    5   25   47 f   86.781   17.585   22.942   7.9077   36.286   12.277   13.481   10.338  107.299   24.954   66.262   24.783 41.03737 35.16920 
1 1 1    5   25   48 o   59.872   16.908   10.509   7.1195   12.713   10.633   8.7177   9.5856   63.132   24.746   56.611   23.048 6.521118 33.81666 
1 1 1    5   25   49 o  109.826   21.596   47.549   11.487   47.821   16.330   47.283   16.161  109.985   30.633  109.666   30.450 0.3182983 43.19226 
1 1 1    5   25   50 o   40.877   12.459   0.3635   5.0242   6.0932   5.8845 -15.0464   9.6504   48.055   18.527   33.700   16.662 14.35476 24.91742 
1 1 1    5   25   51 o   61.030   17.100   12.158   7.5054   17.871   10.756   6.7364   10.478   69.261   25.394   52.799   22.910 16.46198 34.20077 
1 1 1    5   25   52 o   58.563   13.957   10.650   5.1247   17.298   7.1440   3.6031   7.3554   72.825   20.254   44.301   19.209 28.52457 27.91419 
1 1 1    5   26    0 o   29.324   12.125   2.4581   3.9227   2.4581   3.9227   2.4581   3.9227   29.324   17.148   29.324   17.148 -0.000000 0.000000 
1 1 1    5   26    1 o  144.391   10.784   50.385   7.2239   43.521   10.210   57.267   10.223  134.209   16.277  154.573   14.151 -20.36397 21.56865 
1 1 1    5   26    2 o  259.153   15.758  167.408   18.982  186.835   26.894  148.125   26.795  275.103   20.918  243.203   23.574 31.90063 31.51671 
1 1 1    5   26    3 o   45.082   11.160   3.7902   3.0638   1.0755   4.1607   7.0056   4.5282   36.493   15.058   53.670   16.474 -17.17707 22.31902 
1 1 1    5   26    4 o  195.332   17.429  103.921   12.534   83.458   25.137  110.691   14.460  175.932   31.740  214.733   14.408 -38.80081 34.85732 
1 1 1    5   26    5 o   95.603   13.184   22.418   5.4225   23.698   9.5726   21.813   6.5801   95.971   21.834   95.235   14.784 0.7354355 26.36865 
1 1 1    5   26    6 o  146.852   12.916   53.148   7.5504   51.663   15.222   53.633   8.6954  143.765   22.656  149.940   12.409 -6.175003 25.83165 
1 1 1    5   26    7 o  137.497   11.216   42.454   6.4485   53.288   12.833   38.795   7.4584  147.519   18.614  127.475   12.519 20.04353 22.43266 
1 1 1    5   26    8 o  112.302   13.252   33.388   5.6193   27.636   11.287   35.284   6.4794  102.834   23.934  121.770   11.385 -18.93623 26.50394 
1 1 1    5   26    9 o  176.577   16.402   87.773   10.424   63.229   20.789   96.017   12.049  152.843   30.175  200.311   12.870 -47.46786 32.80487 
1 1 1    5   26   10 o  274.512   19.607  197.705   21.342  191.461   42.628  199.794   24.655  263.775   34.580  285.249   18.494 -21.47415 39.21478 
1 1 1    5   26   11 o   98.024   11.978   22.940   5.4874   0.0000   0.0000   22.940   5.4874  ?   ?    98.024   11.978      ?      ? 
1 1 1    5   26   12 o  149.497   16.462   67.492   8.7570   38.946   17.099   77.641   10.196  118.715   30.619  180.279   12.101 -61.56338 32.92329 
1 1 1    5   26   13 o   45.234   12.010   3.6837   3.0243   4.4656   6.3022   3.4497   3.4471   49.964   19.197   40.503   14.439 9.461555 24.02085 
1 1 1    5   26   14 o  191.305   17.739   98.723   13.912   81.181   24.054  107.539   17.053  172.793   30.922  209.817   17.391 -37.02426 35.47726 
1 1 1    5   26   15 o  155.304   17.240   73.070   10.291   35.852   17.363   93.223   12.777  113.667   31.562  196.941   13.882 -83.27394 34.48006 
1 1 1    5   26   16 o  192.485   15.192   90.838   13.003   97.980   22.376   87.195   15.978  196.323   24.387  188.647   18.123 7.676788 30.38368 
1 1 1    5   26   17 o   52.027   15.607   6.6425   4.0969   0.0000   0.0000   6.6425   4.0969  ?   ?    52.027   15.607      ?      ? 
1 1 1    5   26   18 o  214.316   13.916  114.083   13.815  130.143   19.496   97.884   19.580  230.445   18.102  198.186   21.140 32.25905 27.83123 
1 1 1    5   26   19 o  125.755   10.668   38.339   6.2178   32.644   8.7470   44.157   8.8404  115.982   16.137  135.527   13.957 -19.54451 21.33581 
1 1 1    5   26   20 o  106.593   9.4208   26.683   4.6330   30.752   7.3001   23.939   5.9951  113.160   13.804  100.025   12.825 13.13499 18.84170 
1 1 1    5   26   21 o  125.253   9.9971   39.055   5.5890   32.216   8.8390   43.610   7.2143  115.173   16.421  135.333   11.406 -20.16030 19.99413 
1 1 1    5   26   22 o  161.291   15.874   68.620   10.600   58.879   18.360   73.492   12.983  148.649   27.438  173.934   15.972 -25.28549 31.74853 
1 1 1    5   26   23 o  141.718   12.476   51.468   7.6116   34.091   10.840   68.366   10.690  115.067   20.929  168.370   13.586 -53.30290 24.95176 
1 1 1    5   26   24 o  192.817   20.236  100.784   17.581  116.670   24.906   85.008   24.820  211.570   25.189  174.064   31.678 37.50545 40.47156 
1 1 1    5   26   25 o  251.837   20.090  166.905   22.296  175.607   38.573  162.539   27.323  251.505   32.816  252.168   23.185 -0.6632080 40.18024 
1 1 1    5   26   26 o  178.959   19.489   94.532   13.653   60.801   23.512  111.691   16.770  144.391   35.169  213.527   16.805 -69.13559 38.97752 
1 1 1    5   26   27 o   85.957   14.182   19.035   5.3892   19.399   9.1911   18.844   6.6528   85.684   22.620   86.230   17.112 -0.5454102 28.36341 
1 1 1    5   26   28 o   64.340   12.996   10.571   4.0854   10.308   5.4836   10.899   6.1248   63.489   17.776   65.190   18.963 -1.700977 25.99180 
1 1 1    5   26   29 o  260.630   26.473  215.871   26.969  158.927   46.439  244.849   33.128  214.008   47.655  307.252   23.070 -93.24315 52.94530 
1 1 1    5   26   30 o   82.160   13.047   17.621   4.8981   19.878   6.7960   15.180   7.0658   88.235   17.098   76.084   19.712 12.15055 26.09403 
1 1 1    5   26   31 o  128.310   11.953   41.522   7.0197   49.254   9.7570   33.226   10.107  141.812   14.722  114.809   18.836 27.00261 23.90692 
1 1 1    5   26   32 o   95.377   14.893   22.896   6.1404   20.345   7.4390   28.351   10.878   88.464   18.584  102.291   23.277 -13.82664 29.78600 
1 1 1    5   26   33 o  110.842   11.746   30.642   6.0787   29.089   8.5844   32.205   8.6087  107.845   17.032  113.839   16.181 -5.993980 23.49285 
1 1 1    5   26   34 o   54.242   14.552   4.9661   4.9488   10.379   8.5073   2.1976   6.0840   64.403   22.712   44.081   18.200 20.32132 29.10474 
1 1 1    5   26   35 o  122.706   15.647   39.795   8.0925   41.108   14.486   39.200   9.7571  120.395   26.466  125.017   16.700 -4.622604 31.29448 
1 1 1    5   26   36 o  135.625   18.333   51.585   11.322   43.293   15.979   59.945   16.045  121.437   28.623  149.812   22.917 -28.37522 36.66681 
1 1 1    5   26   37 o  105.650   18.197   32.163   8.9336   35.635   12.607   28.661   12.661  112.348   24.685   98.952   26.742 13.39629 36.39375 
1 1 1    5   26   38 o   94.115   15.654   24.133   6.4831   22.719   7.9393   26.962   11.231   91.925   19.104   96.304   24.803 -4.379189 31.30735 
1 1 1    5   26   39 o  183.644   30.259  103.117   25.970  103.117   25.970   0.0000   0.0000  183.644   30.259  ?   ?       ?      ? 
1 1 1    5   26   40 o   77.050   25.027   17.193   10.315   17.193   10.315   0.0000   0.0000   77.050   25.027  ?   ?       ?      ? 
1 1 1    5   26   41 o  105.924   19.351   35.507   9.9188   26.878   14.633   42.842   13.491   90.686   29.826  121.162   24.664 -30.47681 38.70261 
1 1 1    5   26   42 o   85.706   27.810   24.229   12.738   24.229   12.738   0.0000   0.0000   85.706   27.810  ?   ?       ?      ? 
1 1 1    5   26   43 o   59.163   16.158   9.0776   6.3052   10.774   9.5089   7.7465   8.4232   62.215   23.657   56.112   22.016 6.102879 32.31699 
1 1 1    5   26   44 o   62.003   15.729   6.6091   6.7433   21.137   10.395  -3.9457   8.8604   82.471   24.889   41.536   19.238 40.93523 31.45710 
1 1 1    5   26   45 o   37.989   12.744  -6.1750   5.9570  -6.3988   9.4358  -6.0268   7.6813   39.962   18.931   36.016   17.067 3.946423 25.48878 
1 1 1    5   26   46 o  107.649   30.146   44.160   15.769   44.160   15.769   0.0000   0.0000  107.649   30.146  ?   ?       ?      ? 
1 1 1    5   26   47 o   60.082   16.333   10.418   5.9423   8.6020   7.0027   15.090   11.232   54.492   20.394   65.672   25.519 -11.17982 32.66660 
1 1 1    5   26   48 o   71.749   16.796   17.986   6.4753   17.529   11.310   18.209   7.8978   68.454   25.856   75.044   21.447 -6.590240 33.59285 
1 1 1    5   26   49 o   49.753   13.673   6.6235   4.6075   4.8152   6.4469   8.5113   6.5873   45.965   18.828   53.541   19.830 -7.576611 27.34517 
1 1 1    5   26   50 o   91.465   16.805   28.544   6.8947   26.329   8.3160   33.416   12.331   91.211   20.055   91.718   26.972 -0.5072556 33.61071 
1 1 1    5   27    0 o  176.747   12.352   76.705   14.106   76.705   14.106   76.705   14.106  176.747   17.469  176.747   17.469 -0.000000 0.000000 
1 1 1    5   27    1 o  128.711   10.747   40.283   6.4116   45.578   9.0071   34.845   9.1289  137.661   14.000  119.760   16.310 17.90061 21.49490 
1 1 1    5   27    2 o  248.553   21.416  171.538   22.371  187.144   27.412  140.419   38.709  273.790   21.423  223.315   37.090 50.47539 42.83225 
1 1 1    5   27    3 f  146.536   11.213   52.455   7.5863   61.156   10.691   43.630   10.767  159.351   14.356  133.722   17.228 25.62888 22.42511 
1 1 1    5   27    4 o  142.188   14.804   52.938   8.7131   45.004   15.093   56.904   10.671  130.825   25.602  153.552   14.870 -22.72705 29.60703 
1 1 1    5   27    5 o  228.475   13.042  132.705   13.272  108.474   20.940  148.974   17.158  208.442   21.496  248.509   14.774 -40.06689 26.08308 
1 1 1    5   27    6 f   81.272   10.406   17.125   3.6803   12.479   5.7725   20.307   4.7770   70.154   17.628   92.390   11.063 -22.23643 20.81213 
1 1 1    5   27    7 o  106.332   9.0547   26.066   4.4085   34.678   6.9903   20.378   5.6806  120.457   12.417   92.208   13.182 28.24911 18.10939 
1 1 1    5   27    8 o   90.188   11.677   18.629   4.1743   23.272   8.6493   17.219   4.7661   95.436   20.031   84.941   12.006 10.49486 23.35326 
1 1 1    5   27    9 o  169.419   18.112   87.210   10.700   51.746   21.328   99.137   12.369  135.401   33.808  203.438   13.009 -68.03656 36.22473 
1 1 1    5   27   10 o  146.282   12.435   51.346   7.4481   54.328   14.729   50.322   8.6333  147.555   21.359  145.009   12.739 2.546371 24.86933 
1 1 1    5   27   11 o  214.983   23.245  147.934   18.662   73.804   32.126  185.691   22.927  154.492   42.945  275.474   17.809 -120.9826 46.49081 
1 1 1    5   27   12 o  167.298   15.358   75.029   9.6034   61.731   19.072   79.547   11.115  152.378   27.805  182.217   13.053 -29.83908 30.71659 
1 1 1    5   27   13 o  131.551   14.101   46.312   6.9374   37.638   13.830   49.228   8.0193  119.456   25.546  143.646   11.945 -24.18987 28.20124 
1 1 1    5   27   14 o  101.674   12.640   25.838   5.0069   25.374   10.089   25.989   5.7671   98.943   22.347  104.407   11.819 -5.464043 25.28032 
1 1 1    5   27   15 o  126.126   15.418   40.177   8.9080   38.919   12.412   41.513   12.792  123.111   22.398  129.140   21.195 -6.029419 30.83687 
1 1 1    5   27   16 o   92.183   13.229   21.163   5.3761   23.283   8.7628   19.883   6.8079   95.342   20.289   89.025   16.983 6.317245 26.45850 
1 1 1    5   27   17 o  133.163   13.233   45.518   6.8217   41.491   13.371   46.936   7.9317  126.229   23.531  140.096   12.114 -13.86710 26.46649 
1 1 1    5   27   18 o  264.652   19.241  180.449   20.536  193.096   41.093  176.239   23.709  262.971   33.436  266.333   19.048 -3.362000 38.48122 
1 1 1    5   27   19 o   84.297   11.439   18.287   4.3415   11.803   6.2205   24.446   6.0623   67.817   18.913  100.776   12.872 -32.95921 22.87775 
1 1 1    5   27   20 o  186.666   18.014   95.370   13.776  103.310   16.876   79.511   23.852  204.653   17.644  168.679   31.413 35.97392 36.02885 
1 1 1    5   27   21 o  173.242   12.117   73.980   9.7209   85.335   13.791   62.767   13.705  187.152   15.767  159.331   18.404 27.82057 24.23463 
1 1 1    5   27   22 o  246.571   19.269  157.150   21.000  170.279   36.443  150.624   25.695  249.748   31.223  243.394   22.589 6.353607 38.53720 
1 1 1    5   27   23 o  214.279   18.881  124.685   17.264  109.924   29.951  132.028   21.126  198.844   32.230  229.713   19.678 -30.86914 37.76217 
1 1 1    5   27   24 o  232.737   25.460  159.945   26.185  123.184   37.032  196.702   37.031  197.355   41.468  268.120   29.552 -70.76526 50.92081 
1 1 1    5   27   25 o  252.806   15.523  164.161   18.327  157.291   25.893  171.057   25.943  247.004   22.431  258.608   21.465 -11.60384 31.04670 
1 1 1    5   27   26 o  156.404   11.355   61.357   8.0073   79.374   11.362   43.576   11.287  180.865   13.441  131.942   18.304 48.92278 22.70926 
1 1 1    5   27   27 o  134.542   11.270   44.638   7.0729   41.202   9.8958   48.227   10.113  129.036   16.410  140.048   15.451 -11.01125 22.53914 
1 1 1    5   27   28 o   61.900   11.842   9.7057   3.8695   15.229   5.3943   3.8514   5.5538   77.475   15.440   46.325   17.960 31.14977 23.68451 
1 1 1    5   27   29 o   74.966   12.606   14.610   4.3503   14.414   6.0556   14.819   6.2536   74.493   17.663   75.439   17.990 -0.9467010 25.21136 
1 1 1    5   27   30 o  136.199   13.713   45.761   8.4269   53.647   14.257   41.526   10.447  143.778   21.217  128.620   17.380 15.15776 27.42673 
1 1 1    5   27   31 o   41.348   12.049  -0.0552   4.3161  -8.3019   6.8195   5.4559   5.5748   32.818   15.699   49.878   18.282 -17.06050 24.09790 
1 1 1    5   27   32 o   55.765   19.388   7.5467   6.1867   0.0000   0.0000   7.5467   6.1867  ?   ?    55.765   19.388      ?      ? 
1 1 1    5   27   33 o   74.366   15.555   14.700   6.6230   23.751   9.0049   4.0339   9.7751   93.817   21.055   54.915   22.904 38.90203 31.11071 
1 1 1    5   27   34 o  147.737   19.029   62.525   12.653   61.080   17.734   64.023   18.058  145.866   27.009  149.608   26.812 -3.742172 38.05715 
1 1 1    5   27   35 o   51.616   14.409   4.4776   4.8628   2.6893   5.8998   8.2662   8.5873   44.013   18.018   59.219   22.490 -15.20569 28.81811 
1 1 1    5   27   36 o   78.888   24.994   18.149   10.335   18.149   10.335   0.0000   0.0000   78.888   24.994  ?   ?       ?      ? 
1 1 1    5   27   37 o   86.127   17.407   21.618   7.3496   21.018   10.953   22.109   9.9128   84.469   25.559   87.785   23.636 -3.315300 34.81334 
1 1 1    5   27   38 o   76.338   16.350   15.447   7.1134   27.183   10.452   5.3203   9.7089   97.268   23.299   55.407   22.943 41.86114 32.69909 
1 1 1    5   27   39 o   90.573   18.185   25.295   8.9111   12.631   12.528   38.266   12.678   67.749   26.764  113.398   24.628 -45.64961 36.37093 
1 1 1    5   27   40 o   83.843   15.589   22.935   6.6969   12.239   12.209   27.539   8.0094   65.666   26.266  102.020   16.799 -36.35388 31.17855 
1 1 1    5   27   41 o   63.080   16.223   10.558   5.8550   13.865   10.421   9.0326   7.0779   68.257   24.999   57.902   20.684 10.35508 32.44675 
1 1 1    5   27   42 o   61.932   14.448   10.644   6.0737  -4.4729   10.665   17.900   7.3890   44.796   20.870   79.069   19.986 -34.27268 28.89602 
1 1 1    5   27   43 o   65.878   16.171   10.786   7.4982  -3.5060   10.584   25.188   10.624   44.370   20.711   87.385   24.840 -43.01497 32.34190 
1 1 1    5   27   44 o   56.445   16.636   8.3974   7.3202   6.6002   10.410   10.155   10.295   54.037   23.134   58.853   23.914 -4.815910 33.27281 
1 1 1    5   27   45 o   35.319   12.159 -12.4668   6.5506  -4.0562   9.2118 -21.0701   9.3168   40.360   18.993   30.279   15.188 10.08051 24.31872 
1 1 1    5   27   46 o   41.291   12.830   1.5713   4.6089   1.0233   5.7692   2.5381   7.6626   38.322   16.806   44.259   19.390 -5.936756 25.66006 
1 1 1    5   27   47 o  112.383   16.745   40.855   8.2280   37.474   10.234   47.035   13.836  110.065   20.655  114.702   26.362 -4.637543 33.49021 
1 1 1    5   27   48 o   80.271   16.532   21.867   6.4230   17.451   8.0380   29.666   10.683   70.816   21.985   89.727   24.697 -18.91122 33.06438 
1 1 1    5   28    0 o  300.091   18.260  224.891   35.600  224.891   35.600  224.891   35.600  300.091   25.824  300.091   25.824 -0.000000 0.000000 
1 1 1    5   28    1 o  185.927   12.344   84.448   10.699   91.270   15.154   77.667   15.108  193.742   16.736  178.112   18.149 15.62949 24.68796 
1 1 1    5   28    2 o   78.408   11.541   15.636   4.1738   20.847   5.8197   10.118   5.9893   93.255   13.353   63.561   18.827 29.69421 23.08138 
1 1 1    5   28    3 o   97.523   14.701   23.916   6.6486   30.714   9.7302   17.963   9.1059  111.868   18.611   83.178   22.763 28.69015 29.40259 
1 1 1    5   28    4 o   89.989   11.223   17.354   4.0827   25.925   8.4504   14.744   4.6630  101.463   18.502   78.516   12.708 22.94726 22.44605 
1 1 1    5   28    5 o  111.976   13.192   32.399   5.6243   29.033   11.368   33.489   6.4719  105.418   23.656  118.533   11.683 -13.11571 26.38382 
1 1 1    5   28    6 f  147.185   14.476   57.525   7.9280   48.184   15.962   60.584   9.1343  135.125   26.221  159.246   12.273 -24.12061 28.95174 
1 1 1    5   28    7 o   88.948   12.935   20.590   4.5230   18.055   9.2853   21.378   5.1790   83.224   23.071   94.673   11.705 -11.44892 25.87067 
1 1 1    5   28    8 o  189.331   19.764  107.890   13.143   70.035   26.247  120.558   15.183  155.174   36.757  223.487   14.537 -68.31287 39.52749 
1 1 1    5   28    9 o  107.434   14.236   35.993   5.6957   17.583   11.531   41.934   6.5507   82.102   26.441  132.767   10.557 -50.66454 28.47100 
1 1 1    5   28   10 o   55.434   13.205   7.2494   3.9146   6.7605   6.8374   7.4878   4.7746   55.801   20.278   55.067   16.919 0.7341003 26.40932 
1 1 1    5   28   11 o   44.029   14.621   4.5118   3.5134   0.0000   0.0000   4.5118   3.5134  ?   ?    44.029   14.621      ?      ? 
1 1 1    5   28   12 o   85.080   12.783   17.417   5.0830   0.0000   0.0000   17.417   5.0830  ?   ?    85.080   12.783      ?      ? 
1 1 1    5   28   13 o  123.284   11.860   36.421   6.8336   0.0000   0.0000   36.421   6.8336  ?   ?   123.284   11.860      ?      ? 
1 1 1    5   28   14 o  101.747   11.096   21.367   4.7357   39.507   9.0908   14.611   5.5479  127.441   15.263   76.052   16.110 51.38862 22.19242 
1 1 1    5   28   15 o  161.092   14.741   65.739   10.333   63.269   17.974   66.958   12.628  156.649   24.552  165.536   16.323 -8.887451 29.48300 
1 1 1    5   28   16 o  386.821   35.904  426.872   64.908   0.0000   0.0000  426.872   64.908  ?   ?   386.821   35.904      ?      ? 
1 1 1    5   28   17 o   98.963   14.205   23.698   6.5699   0.0000   0.0000   23.698   6.5699  ?   ?    98.963   14.205      ?      ? 
1 1 1    5   28   18 o   79.606   15.429   16.631   5.8975   16.212   8.0299   17.123   8.6900   78.643   21.315   80.570   22.314 -1.926682 30.85808 
1 1 1    5   28   19 o  132.485   23.621   46.414   14.089   0.0000   0.0000   46.414   14.089  ?   ?   132.485   23.621      ?      ? 
1 1 1    5   28   20 o  168.403   16.672   76.918   11.602   66.102   20.041   82.369   14.228  154.155   28.879  182.651   16.668 -28.49564 33.34404 
1 1 1    5   28   21 o   67.546   14.354   11.893   4.7616   10.637   8.3677   12.495   5.7905   65.528   22.561   69.564   17.752 -4.035805 28.70766 
1 1 1    5   28   22 o   91.353   16.122   22.730   7.0560   15.751   10.131   29.305   9.8331   76.882   24.787  105.824   20.623 -28.94218 32.24434 
1 1 1    5   28   23 o   72.727   12.943   11.315   4.6177   4.8288   5.6753   24.020   7.9431   48.852   18.344   96.602   18.263 -47.74992 25.88535 
1 1 1    5   28   24 o  169.965   10.582   68.645   8.2688   86.148   13.150   57.198   10.634  187.275   15.025  152.656   14.906 34.61809 21.16406 
1 1 1    5   28   25 o  242.605   15.205  152.469   17.239  150.624   24.364  154.319   24.394  240.992   21.632  244.218   21.373 -3.226364 30.40972 
1 1 1    5   28   26 o  108.332   15.371   34.994   7.0921   20.661   12.300   42.132   8.6803   85.563   27.284  131.102   14.167 -45.53902 30.74244 
1 1 1    5   28   27 o  128.650   15.315   45.557   8.1816   38.171   14.115   49.295   10.040  116.131   26.581  141.170   15.218 -25.03833 30.62946 
1 1 1    5   28   28 o   88.178   14.707   21.415   5.8000   18.615   9.8280   22.912   7.1845   81.922   24.076   94.434   16.899 -12.51233 29.41480 
1 1 1    5   28   29 o  186.813   20.067   99.108   17.478   91.536   24.492  106.966   24.948  178.347   29.385  195.279   27.336 -16.93234 40.13387 
1 1 1    5   28   30 o   92.086   16.854   23.392   7.4356   17.350   10.089   30.576   11.001   78.767   24.659  105.405   22.981 -26.63853 33.70725 
1 1 1    5   28   31 o  188.891   16.066   91.156   13.549   79.656   16.508  114.888   23.715  174.203   20.277  203.578   24.926 -29.37466 32.13210 
1 1 1    5   28   32 o  116.167   16.064   34.236   8.7212   34.236   8.7212   0.0000   0.0000  116.167   16.064  ?   ?       ?      ? 
1 1 1    5   28   33 o   99.993   18.913   26.767   8.5144   26.767   8.5144   0.0000   0.0000   99.993   18.913  ?   ?       ?      ? 
1 1 1    5   28   34 o  110.083   26.230   35.762   13.303   0.0000   0.0000   35.762   13.303  ?   ?   110.083   26.230      ?      ? 
1 1 1    5   28   35 o  205.990   26.523  149.384   24.271  196.202   34.603  104.041   34.053  253.935   29.157  158.045   44.314 95.89020 53.04623 
1 1 1    5   28   36 f   46.306   20.926  -1.4426   9.6618  -1.4426   9.6618   0.0000   0.0000   46.306   20.926  ?   ?       ?      ? 
1 1 1    5   28   37 o   93.139   17.254   26.789   7.3064   26.432   13.110   26.950   8.7998   88.575   28.159   97.703   19.947 -9.128242 34.50779 
1 1 1    5   28   38 o   70.049   15.709   10.456   6.1700   27.225   10.863   2.4706   7.4964   93.985   24.487   46.114   19.684 47.87095 31.41719 
1 1 1    5   28   39 o  108.902   15.723   31.280   7.6896   49.093   13.155   22.034   9.4773  132.124   21.304   85.680   23.129 46.44363 31.44543 
1 1 1    5   28   40 o   44.261   13.848   1.2824   5.3365  -1.5058   10.069   2.3713   6.2929   45.655   20.914   42.868   18.157 2.787251 27.69554 
1 1 1    5   28   41 o   72.112   17.214   16.418   7.9339   4.5605   11.190   28.405   11.251   52.663   23.240   91.562   25.400 -38.89960 34.42769 
1 1 1    5   28   42 o   85.089   15.929   19.385   6.5516   10.230   7.8624   40.184   11.851   58.116   21.637  112.062   23.384 -53.94519 31.85879 
1 1 1    5   28   43 o   82.163   17.158   22.557   6.7400   20.594   8.1867   26.688   11.874   80.260   21.425   84.066   26.807 -3.806068 34.31657 
1 1 1    5   28   44 o   79.628   14.248   19.918   5.4425   14.944   7.6836   24.927   7.7101   67.565   21.566   91.692   18.628 -24.12679 28.49699 
1 1 1    5   28   45 o   71.811   14.474   16.612   5.1560   14.109   7.3230   19.073   7.2606   65.553   21.067   78.068   19.854 -12.51484 28.94878 
1 1 1    5   28   46 o   52.856   13.646   8.4961   4.6971   3.9928   6.7814   12.649   6.5121   43.830   18.716   61.882   19.865 -18.05154 27.29230 
1 1 1    5   29    0 o   64.962   19.326   14.576   8.3554   14.576   8.3554   14.576   8.3554   64.962   27.331   64.962   27.331 -0.000000 0.000000 
1 1 1    5   29    1 o  220.140   21.286  131.189   21.662  151.342   30.753  111.345   30.517  239.449   27.481  200.831   32.514 38.61888 42.57222 
1 1 1    5   29    2 o   96.341   21.455   24.174   9.4120   24.174   9.4120   0.0000   0.0000   96.341   21.455  ?   ?       ?      ? 
1 1 1    5   29    3 o   94.941   13.593   23.268   6.7208   3.1978   9.3571   44.654   9.6592   54.314   22.510  135.569   15.245 -81.25443 27.18681 
1 1 1    5   29    4 o  153.965   17.470   62.029   12.128   51.898   17.090   72.308   17.214  138.739   27.330  169.191   21.771 -30.45189 34.94090 
1 1 1    5   29    5 o  300.279   16.745  231.927   22.897  225.150   36.224  236.437   29.549  293.397   26.418  307.162   20.584 -13.76486 33.49035 
1 1 1    5   29    6 o   68.874   10.530   10.552   3.4599   19.794   5.6433   4.9850   4.3797   90.668   13.318   47.080   16.315 43.58827 21.06089 
1 1 1    5   29    7 f  234.117   12.587  131.012   13.559  161.889   21.544  110.760   17.448  256.130   17.998  212.103   17.602 44.02740 25.17436 
1 1 1    5   29    8 o   63.952   11.489   10.707   3.4340   8.2921   5.5686   12.189   4.3622   57.970   18.344   69.933   13.837 -11.96270 22.97741 
1 1 1    5   29    9 o  202.698   12.677  107.629   11.174   77.611   17.594  127.924   14.466  175.126   21.496  230.270   13.442 -55.14418 25.35321 
1 1 1    5   29   10 o   63.383   13.353   8.7056   4.1438   15.421   7.3685   5.5996   5.0113   76.954   20.224   49.812   17.442 27.14273 26.70574 
1 1 1    5   29   11 o  124.051   14.130   41.956   6.6237   33.699   13.035   44.830   7.6905  111.481   25.564  136.620   12.045 -25.13911 28.25979 
1 1 1    5   29   12 o   69.920   18.119   12.603   5.9689   0.0000   0.0000   12.603   5.9689  ?   ?    69.920   18.119      ?      ? 
1 1 1    5   29   13 o  129.954   13.064   41.403   7.4865   44.630   13.097   39.837   9.1241  132.326   21.178  127.582   15.302 4.743996 26.12798 
1 1 1    5   29   14 o   61.808   15.355   8.5434   5.6207   5.0107   7.5815   12.854   8.3752   53.177   20.880   70.439   22.519 -17.26133 30.70965 
1 1 1    5   29   15 o   70.774   15.614   12.574   5.8958   8.1976   8.0239   17.708   8.6918   60.075   21.947   81.472   22.215 -21.39680 31.22783 
1 1 1    5   29   17 o  134.210   24.406   48.496   14.745   0.0000   0.0000   48.496   14.745  ?   ?   134.210   24.406      ?      ? 
1 1 1    5   29   18 o  135.268   15.672   45.098   9.9076   0.0000   0.0000   45.098   9.9076  ?   ?   135.268   15.672      ?      ? 
1 1 1    5   29   19 o   23.682   11.279  -4.2426   3.4395   0.0000   0.0000  -4.2426   3.4395  ?   ?    23.682   11.279      ?      ? 
1 1 1    5   29   20 o  111.797   11.882   30.173   6.2079   0.0000   0.0000   30.173   6.2079  ?   ?   111.797   11.882      ?      ? 
1 1 1    5   29   21 o   56.746   13.194   5.8305   3.7573   13.713   7.5072   3.1961   4.3399   71.826   21.023   41.667   15.949 30.15928 26.38838 
1 1 1    5   29   22 o  182.599   15.427   87.159   11.229   86.454   22.400   87.396   12.978  176.839   27.104  188.358   14.743 -11.51904 30.85409 
1 1 1    5   29   23 o   74.867   14.507   13.660   5.0777   20.540   8.7642   10.184   6.2298   87.111   21.627   62.622   19.340 24.48919 29.01352 
1 1 1    5   29   24 o  172.105   15.439   76.173   11.775   83.473   20.393   72.523   14.421  175.282   24.894  168.927   18.267 6.355026 30.87718 
1 1 1    5   29   25 o   39.252   12.222  -1.5543   4.1341   2.2877   7.1822  -3.4579   5.0556   46.878   19.599   31.626   14.607 15.25186 24.44334 
1 1 1    5   29   26 o  159.636   19.867   74.166   14.036   97.395   19.922   51.269   19.779  191.408   22.271  127.865   32.906 63.54281 39.73430 
1 1 1    5   29   27 f  139.198   15.981   48.699   10.397   48.699   10.397   0.0000   0.0000  139.198   15.981  ?   ?       ?      ? 
1 1 1    5   29   28 o  115.818   15.499   33.795   8.3894   33.795   8.3894   0.0000   0.0000  115.818   15.499  ?   ?       ?      ? 
1 1 1    5   29   29 o   58.005   19.245   8.7782   6.0874   8.7782   6.0874   0.0000   0.0000   58.005   19.245  ?   ?       ?      ? 
1 1 1    5   29   30 o   62.042   15.827   9.9605   5.8985   7.5496   9.5991   11.423   7.4767   59.081   23.400   65.004   21.317 -5.923912 31.65396 
1 1 1    5   29   31 o   83.372   17.255   20.752   7.3294   15.674   11.603   24.123   9.4546   74.043   26.480   92.700   22.130 -18.65735 34.50941 
1 1 1    5   29   32 o   58.962   15.461   6.4293   5.2438   15.332   10.138   3.1781   6.1270   72.739   24.840   45.185   18.414 27.55378 30.92137 
1 1 1    5   29   33 o   72.348   15.631   16.260   6.1014   8.2062   11.372   19.516   7.2303   60.581   24.933   84.116   18.858 -23.53479 31.26173 
1 1 1    5   29   34 o  138.582   19.352   66.399   11.161   46.667   19.905   75.447   13.479  108.623   34.715  168.540   17.112 -59.91708 38.70359 
1 1 1    5   29   35 o  168.480   19.223   88.615   13.490   85.694   23.381   90.072   16.516  155.792   33.131  181.169   19.506 -25.37762 38.44701 
1 1 1    5   29   36 o   42.369   12.197   0.1852   4.2407  -5.7561   5.7027   7.5346   6.3426   30.696   14.592   54.043   19.547 -23.34696 24.39314 
1 1 1    5   29   37 o   59.357   15.611   7.2083   5.6698   18.033   10.213   2.3863   6.8166   74.634   24.934   44.081   18.792 30.55252 31.22277 
1 1 1    5   29   39 f   84.793   27.925   27.207   12.826   27.207   12.826   0.0000   0.0000   84.793   27.925  ?   ?       ?      ? 
1 1 1    5   29   40 o   44.183   13.788   2.1952   5.0321   1.9438   5.8590   2.9020   9.8244   40.191   17.285   48.174   21.488 -7.983379 27.57678 
1 1 1    5   29   41 o  144.767   14.259   63.234   9.1683   76.254   13.022   50.436   12.911  164.540   16.934  124.994   22.947 39.54590 28.51874 
1 1 1    5   29   42 o   55.886   13.892   9.3331   4.7515   5.2890   6.8480   13.088   6.5983   47.263   19.388   64.508   19.901 -17.24574 27.78376 
1 1 1    5   29   43 o   45.759   13.890   4.3647   5.3434   6.2223   6.3799  -0.0000   9.7795   47.791   19.030   43.728   20.238 4.063667 27.78011 
1 1 1    5   29   44 o   60.043   14.058   11.854   4.9990   17.323   7.0280   6.2539   7.1120   72.386   20.074   47.701   19.685 24.68438 28.11512 
1 1 1    5   30    0 o  120.482   18.953   40.512   13.189   40.512   13.189   40.512   13.189  120.482   26.804  120.482   26.804 -0.000000 0.000000 
1 1 1    5   30    1 o  107.870   16.519   31.476   8.3128   21.963   11.911   40.509   11.607   89.127   26.584  126.613   19.615 -37.48630 33.03742 
1 1 1    5   30    2 o   65.290   20.608   10.917   7.0315   10.917   7.0315   0.0000   0.0000   65.290   20.608  ?   ?       ?      ? 
1 1 1    5   30    3 o   77.445   16.280   16.093   6.3444   17.449   8.4635   14.354   9.5854   80.942   21.860   73.948   24.131 6.994003 32.56010 
1 1 1    5   30    4 o  102.460   22.827   28.099   10.651   28.099   10.651   0.0000   0.0000  102.460   22.827  ?   ?       ?      ? 
1 1 1    5   30    5 o  173.532   17.415   74.952   14.124   74.952   14.124   0.0000   0.0000  173.532   17.415  ?   ?       ?      ? 
1 1 1    5   30    6 o   87.640   13.758   19.955   5.3556   19.720   6.7732   20.346   8.7483   87.849   17.113   87.431   21.548 0.4181442 27.51671 
1 1 1    5   30    7 o  150.120   15.985   55.591   11.215   55.591   11.215   0.0000   0.0000  150.120   15.985  ?   ?       ?      ? 
1 1 1    5   30    8 o  223.710   24.051  147.754   23.586  187.062   33.498  109.103   33.216  262.257   27.330  185.163   39.584 77.09361 48.10229 
1 1 1    5   30    9 o  132.829   16.913   48.264   9.9366   70.330   14.275   27.521   13.840  167.425   18.243   98.233   28.486 69.19218 33.82683 
1 1 1    5   30   10 o  190.896   27.717   99.798   24.728   0.0000   0.0000   99.798   24.728  ?   ?   190.896   27.717      ?      ? 
1 1 1    5   30   11 o  143.374   23.204   53.894   15.548   0.0000   0.0000   53.894   15.548  ?   ?   143.374   23.204      ?      ? 
1 1 1    5   30   12 o   88.464   22.593   21.152   9.3742   0.0000   0.0000   21.152   9.3742  ?   ?    88.464   22.593      ?      ? 
1 1 1    5   30   13 o  146.580   22.908   56.383   15.693   0.0000   0.0000   56.383   15.693  ?   ?   146.580   22.908      ?      ? 
1 1 1    5   30   14 o  189.591   27.970   99.704   24.783   0.0000   0.0000   99.704   24.783  ?   ?   189.591   27.970      ?      ? 
1 1 1    5   30   15 o  192.246   18.193   93.360   16.346   0.0000   0.0000   93.360   16.346  ?   ?   192.246   18.193      ?      ? 
1 1 1    5   30   16 o  132.638   15.727   43.649   9.7487   0.0000   0.0000   43.649   9.7487  ?   ?   132.638   15.727      ?      ? 
1 1 1    5   30   17 o   67.310   18.746   11.908   6.1155   0.0000   0.0000   11.908   6.1155  ?   ?    67.310   18.746      ?      ? 
1 1 1    5   30   18 o   60.785   23.628   7.8321   9.6316   0.0000   0.0000   7.8321   9.6316  ?   ?    60.785   23.628      ?      ? 
1 1 1    5   30   19 o  112.307   26.859   36.140   13.908   0.0000   0.0000   36.140   13.908  ?   ?   112.307   26.859      ?      ? 
1 1 1    5   30   20 o   71.522   23.691   13.769   9.2265   0.0000   0.0000   13.769   9.2265  ?   ?    71.522   23.691      ?      ? 
1 1 1    5   30   21 o  129.020   17.721   48.801   10.537   74.576   14.853   22.685   14.951  170.650   18.624   87.391   30.153 83.25883 35.44107 
1 1 1    5   30   22 o  132.739   17.111   48.354   10.296   38.974   14.094   59.087   15.076  116.219   26.532  149.259   21.613 -33.04015 34.22101 
1 1 1    5   30   23 o   90.796   15.696   22.066   6.6526   15.944   8.6672   30.844   10.379   75.547   22.710  106.044   21.674 -30.49767 31.39236 
1 1 1    5   30   24 o   75.093   16.854   15.906   6.8407   11.288   9.6705   20.531   9.6778   65.611   24.074   84.576   23.592 -18.96504 33.70713 
1 1 1    5   30   25 o   59.168   15.533   8.5643   5.8261   5.6843   8.9069   10.718   7.7023   54.988   22.279   63.347   21.651 -8.358208 31.06658 
1 1 1    5   30   26 o  129.705   27.134   49.798   15.919   49.798   15.919   0.0000   0.0000  129.705   27.134  ?   ?       ?      ? 
1 1 1    5   30   27 o  127.287   17.456   52.216   9.2959   30.532   16.174   62.914   11.360   96.684   31.334  157.891   15.395 -61.20669 34.91128 
1 1 1    5   30   28 o   52.007   14.072   5.2100   4.1094   8.6620   8.7746   4.2402   4.6510   59.613   22.712   44.400   16.620 15.21363 28.14316 
1 1 1    5   30   29 o   62.882   15.230   10.523   5.0450   11.578   9.5227   10.111   5.9484   64.872   23.877   60.891   18.914 3.980701 30.46014 
1 1 1    5   30   30 o   54.624   14.164   6.3079   4.7808   12.617   7.8640   2.6090   6.0212   65.992   21.873   43.256   18.003 22.73556 28.32873 
1 1 1    5   30   31 o   84.112   15.537   18.368   5.9792   31.241   10.748   12.598   7.1955  102.266   23.040   65.957   20.850 36.30967 31.07371 
1 1 1    5   30   32 o  103.316   12.516   28.791   5.8011   22.355   8.0770   35.648   8.3372   88.998   19.916  117.633   15.165 -28.63519 25.03277 
1 1 1    5   30   33 o   60.619   13.783   10.268   4.4416   11.052   6.2688   9.4787   6.2941   62.652   19.409   58.586   19.574 4.065903 27.56556 
1 1 1    5   30   34 o   45.127   13.787   2.2957   4.6846   3.9973   9.4528   1.7418   5.3936   50.671   21.873   39.582   16.790 11.08938 27.57414 
1 1 1    5   30   35 o   94.199   16.674   27.616   6.8915   31.388   12.636   26.019   8.2219   93.915   27.214   94.483   19.273 -0.5684967 33.34752 
1 1 1    5   30   36 o   80.465   18.728   23.444   8.1563   25.446   11.879   21.659   11.219   83.413   26.835   77.516   26.132 5.897385 37.45637 
1 1 1    5   30   37 o   54.228   15.120   8.1020   5.2452   7.6868   6.1386   9.2253   10.097   51.993   19.165   56.464   23.390 -4.470715 30.23909 
1 1 1    5   30   38 o   62.363   16.626   11.837   6.8309   5.7048   8.9439   20.422   10.582   50.293   21.485   74.433   25.378 -24.13980 33.25140 
1 1 1    5   30   39 o   42.893   12.564   3.2067   4.1884   0.7756   5.7123   6.0333   6.1596   37.747   16.634   48.040   18.834 -10.29324 25.12737 
1 1 1    5   30   40 o   48.897   13.550   6.6543   4.5234   7.3454   6.1970   5.8663   6.6178   50.264   19.102   47.530   19.223 2.734749 27.09958 
1 1 1    5   30   41 o   41.201   12.670  -1.1942   4.5587  -6.5810   5.5627   9.8217   7.9548   28.082   13.618   54.320   21.369 -26.23734 25.33969 
1 1 1    5   31    0 o  194.139   21.358  102.765   25.429  102.765   25.429  102.765   25.429  194.139   30.205  194.139   30.205 -0.000000 0.000000 
1 1 1    5   31    1 o  128.138   13.465   37.855   7.4729   60.500   13.181   27.128   9.0717  154.684   18.233  101.592   19.818 53.09145 26.92971 
1 1 1    5   31    2 o  137.528   17.325   51.518   10.757   61.350   15.291   41.883   15.137  153.646   21.295  121.410   27.335 32.23591 34.65064 
1 1 1    5   31    3 o  249.844   19.319  164.144   21.607  205.789   37.536  143.508   26.423  268.432   29.921  231.257   24.448 37.17525 38.63899 
1 1 1    5   31    4 o  223.986   19.465  139.650   18.941  136.686   32.729  141.143   23.226  215.079   32.561  232.894   21.339 -17.81570 38.92989 
1 1 1    5   31    5 o  213.869   19.107  127.958   17.577  119.731   30.452  132.068   21.525  201.469   32.342  226.269   20.355 -24.79967 38.21462 
1 1 1    5   31    6 o  134.261   13.607   45.491   8.0367   47.788   14.004   44.362   9.8137  134.841   22.222  133.681   15.708 1.160553 27.21309 
1 1 1    5   31    7 o  271.410   26.763  233.166   30.055  224.043   52.023  237.736   36.821  249.667   46.290  293.154   26.875 -43.48776 53.52596 
1 1 1    5   31    8 o  114.209   14.983   35.585   7.4468   29.903   12.066   39.081   9.4641  103.232   25.225  125.185   16.177 -21.95296 29.96608 
1 1 1    5   31    9 o  261.493   21.389  187.706   25.113  237.003   43.312  162.740   30.823  281.377   32.937  241.609   27.297 39.76791 42.77789 
1 1 1    5   31   10 o   35.506   11.322  -1.8732   3.8801   0.1203   4.6325  -6.5592   7.1024   35.686   15.359   35.326   16.640 0.3598938 22.64469 
1 1 1    5   31   11 o   96.271   14.998   27.018   6.5643   16.589   10.966   32.841   8.1947   77.472   25.836  115.071   15.238 -37.59861 29.99512 
1 1 1    5   31   12 o   85.235   14.951   19.569   5.8661   20.187   9.1147   19.132   7.6643   85.748   22.472   84.721   19.725 1.027039 29.90149 
1 1 1    5   31   13 o  158.135   15.088   65.698   10.533   65.083   17.887   66.025   13.033  154.558   24.763  161.712   17.245 -7.153519 30.17588 
1 1 1    5   31   14 o   59.711   23.256   7.5749   9.3450   0.0000   0.0000   7.5749   9.3450  ?   ?    59.711   23.256      ?      ? 
1 1 1    5   31   15 o  199.707   21.500  117.429   20.007  107.757   27.999  127.522   28.600  189.669   31.586  209.745   29.177 -20.07547 42.99968 
1 1 1    5   31   16 o   43.285   11.739   0.7908   4.2552 -11.2372   6.9732   7.9270   5.3711   30.805   15.009   55.765   18.055 -24.96023 23.47862 
1 1 1    5   31   17 o   98.872   26.538   28.845   12.519   0.0000   0.0000   28.845   12.519  ?   ?    98.872   26.538      ?      ? 
1 1 1    5   31   18 o   57.899   13.623   8.7811   4.6948   2.4335   7.8805   12.273   5.8453   48.122   20.347   67.675   18.121 -19.55206 27.24604 
1 1 1    5   31   19 o   47.771   13.267   3.5849   3.7743   7.2791   7.8135   2.4605   4.3105   56.271   21.433   39.270   15.641 17.00032 26.53339 
1 1 1    5   31   20 o  105.512   14.631   30.590   6.7178   28.588   11.300   31.684   8.3543   99.317   24.498  111.708   16.002 -12.39055 29.26118 
1 1 1    5   31   21 o  118.930   13.613   34.099   7.0661   49.869   12.598   26.861   8.5351  137.584   19.592  100.277   18.906 37.30657 27.22661 
1 1 1    5   31   22 o  105.674   13.457   28.257   5.5598   32.447   11.445   26.963   6.3606  106.866   23.551  104.481   13.026 2.384445 26.91385 
1 1 1    5   31   23 o   88.976   13.437   18.744   4.8384   28.071   9.8837   15.804   5.5487  100.205   21.731   77.746   15.810 22.45988 26.87329 
1 1 1    5   31   24 o  103.542   11.830   27.984   5.5746   25.059   7.8089   31.024   7.9607   96.751   17.930  110.332   15.438 -13.58189 23.66098 
1 1 1    5   31   25 o   78.596   11.661   16.292   4.0561   17.611   6.5681   15.480   5.1569   80.314   17.950   76.877   14.891 3.436897 23.32281 
1 1 1    5   31   26 f   90.817   11.245   21.650   4.6100   22.384   7.1073   21.117   6.0570   90.740   17.393   90.895   14.259 -0.1541824 22.49028 
1 1 1    5   31   27 o  112.487   12.107   34.011   6.1311   28.471   8.6491   39.608   8.6924  101.183   18.988  123.790   15.025 -22.60689 24.21312 
1 1 1    5   31   28 o   99.834   12.359   28.947   5.2410   17.678   8.1227   36.985   6.8601   77.738   21.589  121.930   12.039 -44.19186 24.71827 
1 1 1    5   31   29 o   53.854   12.730   7.0763   4.1398   2.1384   5.8430   12.054   5.8662   41.965   17.620   65.743   18.378 -23.77715 25.46000 
1 1 1    5   31   30 o   46.047   12.654   4.6309   3.9007   3.6801   5.2791   5.7743   5.7889   43.319   17.291   48.775   18.480 -5.456799 25.30783 
1 1 1    5   31   31 o  103.452   18.173   35.826   8.9259   27.630   12.357   44.768   12.907   87.993   27.249  118.911   24.052 -30.91868 36.34543 
1 1 1    5   31   32 o  112.934   17.222   43.358   8.4418   35.853   15.007   46.832   10.210   95.239   30.112  130.629   16.725 -35.38973 34.44485 
1 1 1    5   31   33 o   99.281   19.375   36.817   9.5100   31.016   14.283   41.436   12.746   87.504   29.486  111.057   25.143 -23.55291 38.75004 
1 1 1    5   31   34 o   83.508   15.172   20.322   5.8488   14.496   7.2064   31.566   10.012   67.494   20.794   99.522   22.100 -32.02808 30.34460 
1 1 1    5   31   35 o   44.673   13.521   3.6321   4.8069   4.9772   5.5214  -0.5796   9.7701   45.195   17.796   44.151   20.362 1.044495 27.04228 
1 1 1    5   31   36 o   78.759   14.079   19.127   5.1760   17.236   6.9943   21.416   7.6957   74.441   19.771   83.078   20.050 -8.637505 28.15826 
1 1 1    5   31   37 o   96.709   13.195   28.529   5.8042   16.910   7.9822   41.564   8.4549   70.298   21.922  123.119   14.694 -52.82111 26.39091 
1 1 1    5   31   38 o   85.769   13.630   23.039   5.3643   18.053   7.2410   29.103   7.9861   73.745   20.347   97.793   18.142 -24.04767 27.26013 
1 1 1    5   32    0 o  111.813   12.773   32.580   8.7004   32.580   8.7004   32.580   8.7004  111.813   18.063  111.813   18.063 -0.000000 0.000000 
1 1 1    5   32    1 o  186.852   16.237   90.442   13.350   83.478   16.148  105.484   23.731  179.621   19.236  194.082   26.163 -14.46153 32.47311 
1 1 1    5   32    2 o  111.360   11.557   31.147   6.0028   29.917   8.1856   32.578   8.8295  109.131   16.050  113.589   16.632 -4.458931 23.11332 
1 1 1    5   32    3 o  162.994   19.003   75.660   14.116   69.938   19.936   81.415   19.990  154.323   28.697  171.665   24.917 -17.34142 38.00537 
1 1 1    5   32    4 o   84.638   13.050   19.203   5.1297   23.444   7.0151   14.329   7.5202   96.761   15.513   72.515   20.989 24.24676 26.09940 
1 1 1    5   32    5 o   97.410   12.507   24.525   5.5025   18.728   7.5433   31.117   8.0442   83.357   19.679  111.463   15.442 -28.10571 25.01421 
1 1 1    5   32    6 o  117.425   12.064   35.600   6.3685   42.062   9.0405   29.234   8.9728  129.803   14.903  105.047   18.975 24.75676 24.12767 
1 1 1    5   32    7 o   72.139   15.526   14.283   5.5895   14.509   9.2082   14.150   7.0336   72.201   23.656   72.078   20.115 0.1232452 31.05183 
1 1 1    5   32    8 o  127.132   15.187   43.881   8.3791   43.123   13.918   44.312   10.494  122.610   25.133  131.655   17.056 -9.045044 30.37342 
1 1 1    5   32    9 o   97.736   14.659   24.917   6.3496   32.598   10.462   20.438   7.9890  108.996   21.303   86.476   20.142 22.52074 29.31758 
1 1 1    5   32   10 o  122.780   13.604   37.956   7.5100   45.999   12.867   33.799   9.2489  130.901   21.032  114.659   17.260 16.24219 27.20761 
1 1 1    5   32   11 o   97.191   11.877   20.583   4.8399   35.744   9.5757   15.381   5.6090  117.771   17.398   76.611   16.174 41.16043 23.75423 
1 1 1    5   32   12 o  168.722   18.313   88.728   11.153   65.304   21.916   96.914   12.956  140.304   33.820  197.141   14.062 -56.83705 36.62655 
1 1 1    5   32   13 o  156.320   12.241   62.842   8.9067   56.231   12.469   69.728   12.727  147.241   18.120  165.398   16.464 -18.15709 24.48298 
1 1 1    5   32   14 o   75.234   14.653   15.918   5.3034   13.668   8.5938   17.302   6.7398   70.130   22.847   80.338   18.353 -10.20795 29.30556 
1 1 1    5   32   15 o   65.226   13.380   8.7191   4.6688   20.802   7.9971   2.4716   5.7505   87.280   20.030   43.171   17.745 44.10966 26.75942 
1 1 1    5   32   16 o  151.378   13.643   57.645   9.2547   70.432   16.001   51.218   11.345  161.669   21.178  141.088   17.205 20.58127 27.28623 
1 1 1    5   32   17 o  140.505   18.335   66.916   10.648   33.845   18.181   84.181   13.136   98.796   33.267  182.214   15.426 -83.41849 36.66926 
1 1 1    5   32   18 o  145.670   15.847   60.759   8.6837   54.863   17.263   62.757   10.047  132.864   28.644  158.477   13.566 -25.61302 31.69426 
1 1 1    5   32   19 o  134.340   15.259   51.945   7.7297   46.203   15.340   53.899   8.9488  121.762   27.595  146.918   13.033 -25.15585 30.51826 
1 1 1    5   32   20 o   68.674   13.660   9.6913   4.0768   22.528   8.8254   6.2091   4.5966   88.101   21.601   49.247   16.726 38.85426 27.31940 
1 1 1    5   32   21 o   81.446   14.464   17.713   5.3859   25.979   9.1016   13.259   6.6812   94.814   21.085   68.078   19.806 26.73594 28.92876 
1 1 1    5   32   22 o   46.095   12.952   4.3010   3.7722   3.4944   7.8098   4.5465   4.3080   48.195   20.310   43.996   16.080 4.198906 25.90435 
1 1 1    5   32   23 o  132.964   13.125   44.215   7.1067   55.443   14.547   40.696   8.1448  139.224   22.358  126.705   13.754 12.51936 26.24972 
1 1 1    5   32   24 o   58.274   11.625   8.5825   3.4345   13.512   5.3173   5.0535   4.4988   70.732   16.404   45.816   16.478 24.91583 23.25084 
1 1 1    5   32   25 o   42.170   11.602   3.5763   3.2428   4.1550   5.0686   3.1753   4.2192   44.233   17.155   40.107   15.625 4.125500 23.20440 
1 1 1    5   32   26 f  104.817   11.955   31.891   5.2461   21.682   8.2404   38.849   6.8029   85.299   20.847  124.334   11.707 -39.03486 23.90962 
1 1 1    5   32   27 o   80.095   12.265   17.970   4.4100   19.232   6.8442   17.075   5.7668   81.694   18.372   78.496   16.255 3.197655 24.53037 
1 1 1    5   32   28 o   79.540   11.594   16.525   4.2339   25.795   6.7941   10.640   5.4137   98.559   14.750   60.521   17.892 38.03817 23.18831 
1 1 1    5   32   29 f   72.949   13.268   11.308   4.4886   30.091   9.0492   5.1787   5.1693  100.254   20.015   45.644   17.422 54.60995 26.53517 
1 1 1    5   32   30 o   67.404   23.456   15.531   9.0568   0.0000   0.0000   15.531   9.0568  ?   ?    67.404   23.456      ?      ? 
1 1 1    5   32   31 o  129.957   18.722   60.988   10.368   54.187   18.151   64.281   12.631  110.640   32.775  149.275   18.106 -38.63490 37.44392 
1 1 1    5   32   32 o   52.975   14.666   7.9152   4.9057   8.0680   5.6251   7.4299   10.026   52.522   18.474   53.428   22.783 -0.9055862 29.33211 
1 1 1    5   32   33 o   44.802   12.944   4.4654   4.3005   3.1596   5.8577   5.9922   6.3339   41.809   17.602   47.796   18.984 -5.987411 25.88854 
1 1 1    5   32   34 o   52.806   12.805   8.1126   5.2480   15.102   6.1248 -11.1914   10.179   69.541   18.516   36.070   17.692 33.47068 25.60959 
1 1 1    5   32   35 o  100.908   14.078   33.091   6.4322   40.409   8.8717   24.982   9.3394  118.618   16.003   83.198   23.165 35.41959 28.15523 
1 1 1    5   33    0 o   24.498   11.690  -2.0508   5.5011  -2.0508   5.5011  -2.0508   5.5011   24.498   16.533   24.498   16.533 -0.000000 0.000000 
1 1 1    5   33    1 f   85.087   13.004   19.422   5.0224   18.052   7.0761   20.814   7.1298   81.691   18.908   88.483   17.857 -6.792152 26.00765 
1 1 1    5   33    2 o  151.342   14.783   58.973   10.116   72.295   17.106   51.808   12.545  162.319   22.549  140.364   19.124 21.95561 29.56688 
1 1 1    5   33    3 o  283.579   27.089  235.431   35.902   0.0000   0.0000  235.431   35.902  ?   ?   283.579   27.089      ?      ? 
1 1 1    5   33    4 o   48.317   12.914   4.3101   4.1120   1.3503   5.4768   8.1343   6.2253   40.238   16.985   56.396   19.457 -16.15882 25.82754 
1 1 1    5   33    5 o  202.672   13.629  108.606   12.889  113.778   18.137  103.328   18.321  208.322   18.629  197.022   19.897 11.29926 27.25711 
1 1 1    5   33    6 o   48.212   13.427   4.3453   4.5458   1.7977   6.8116   6.3910   6.1040   44.423   18.857   52.002   19.120 -7.578979 26.85419 
1 1 1    5   33    7 o  163.351   19.145   85.208   12.565   58.539   21.171   99.711   15.612  130.227   34.307  196.475   17.003 -66.24792 38.28951 
1 1 1    5   33    8 f   97.019   14.764   29.067   6.8230   13.321   10.755   39.671   8.8264   68.953   25.376  125.085   15.099 -56.13223 29.52766 
1 1 1    5   33    9 o  147.789   12.202   56.930   8.4045   52.509   11.879   61.363   11.893  141.389   17.977  154.189   16.504 -12.79935 24.40383 
1 1 1    5   33   10 o  114.932   12.258   31.868   6.0442   41.916   11.542   28.072   7.0949  124.531   19.831  105.332   14.413 19.19873 24.51516 
1 1 1    5   33   11 o   65.133   12.678   11.843   4.0005   9.9034   6.2993   13.154   5.1790   60.133   19.559   70.133   16.136 -10.00010 25.35633 
1 1 1    5   33   12 o  137.582   14.809   51.111   9.2211   59.632   15.421   46.369   11.505  144.055   22.905  131.109   18.776 12.94499 29.61703 
1 1 1    5   33   13 o   83.402   11.621   19.092   4.2767   16.150   6.8862   20.940   5.4565   75.500   19.409   91.304   12.787 -15.80398 23.24276 
1 1 1    5   33   14 o   70.050   13.227   11.453   4.1959   21.583   7.9595   7.5543   4.9377   86.993   19.996   53.107   17.319 33.88657 26.45368 
1 1 1    5   33   15 o   76.518   13.710   15.879   4.4820   18.365   8.7721   15.001   5.2140   78.031   22.693   75.006   15.390 3.025139 27.41938 
1 1 1    5   33   16 o  115.882   14.805   39.331   7.2804   33.000   12.194   42.838   9.0756  102.894   25.489  128.869   15.069 -25.97502 29.61055 
1 1 1    5   33   17 o   53.388   12.332   7.2449   4.3249  -2.6101   7.3487   12.467   5.3495   39.151   17.909   67.624   16.957 -28.47292 24.66367 
1 1 1    5   33   18 f   40.036   11.938   1.9005   3.4816   1.0408   6.8623   2.1986   4.0402   42.679   18.529   37.394   15.056 5.284775 23.87511 
1 1 1    5   33   19 o  111.733   11.740   28.207   5.5241   45.602   11.197   22.611   6.3507  129.635   18.482   93.832   14.482 35.80222 23.47985 
1 1 1    5   33   20 o   50.027   12.902   4.4240   4.1215   11.890   6.8195   0.1277   5.1732   63.769   20.313   36.285   15.914 27.48445 25.80426 
1 1 1    5   33   21 o   79.854   13.760   16.125   4.4542   24.763   9.4193   13.637   5.0552   89.222   22.572   70.485   15.743 18.73689 27.52031 
1 1 1    5   33   22 o   67.211   13.625   11.684   4.0245   18.044   8.1585   9.6392   4.6266   75.838   21.836   58.585   16.302 17.25270 27.24953 
1 1 1    5   33   23 o   57.408   13.796   8.6551   3.8816   12.354   8.1904   7.5837   4.4080   62.682   22.266   52.134   16.296 10.54779 27.59196 
1 1 1    5   33   24 o   69.563   15.023   13.312   4.7412   0.0000   0.0000   13.312   4.7412  ?   ?    69.563   15.023      ?      ? 
1 1 1    5   33   25 o   84.422   11.489   19.530   4.3165   23.319   6.7946   16.966   5.5892   90.982   16.591   77.862   15.897 13.11977 22.97803 
1 1 1    5   33   26 o   55.915   12.959   6.7111   3.7230   16.575   7.3178   3.2667   4.3244   72.352   20.633   39.477   15.684 32.87531 25.91708 
1 1 1    5   33   27 o   39.099   12.351   0.6714   4.3280  -0.0002   7.8852   0.9609   5.1777   41.442   18.799   36.757   16.025 4.684841 24.70293 
1 1 1    5   33   28 o   56.217   15.252   8.7881   6.1016   2.0883   8.6229   15.507   8.6351   45.106   20.124   67.327   22.925 -22.22056 30.50469 
1 1 1    5   33   29 o   60.505   12.671   12.134   5.1741   19.063   6.1661  -4.3555   9.5119   81.061   16.827   39.950   18.949 41.11097 25.34199 
1 1 1    5   33   30 o   49.554   18.302   7.2896   5.6033   7.2896   5.6033   0.0000   0.0000   49.554   18.302  ?   ?       ?      ? 
1 1 1    5   33   31 o   48.204   11.614   3.6304   3.6880  -2.5059   4.6216   14.389   6.1196   29.296   13.678   67.112   18.775 -37.81585 23.22894 
1 1 1    5   34    0 o   47.228   18.562   8.8572   8.5650   8.8572   8.5650   8.8572   8.5650   47.228   26.251   47.228   26.251 -0.000000 0.000000 
1 1 1    5   34    1 o   83.211   18.046   22.004   7.8132   25.479   10.830   18.231   11.283   90.631   24.833   75.792   26.192 14.83940 36.09295 
1 1 1    5   34    2 f   55.702   12.309   7.6945   4.3288   14.285   5.7639  -0.8320   6.5562   72.217   17.304   39.186   17.510 33.03130 24.61816 
1 1 1    5   34    3 o  181.982   17.564   96.498   14.189  106.575   24.287   91.276   17.483  182.941   28.406  181.024   20.665 1.916901 35.12785 
1 1 1    5   34    4 o  156.001   20.765   79.182   14.705   91.250   20.810   67.146   20.783  173.735   25.630  138.268   32.679 35.46732 41.53078 
1 1 1    5   34    5 o  117.960   14.762   38.290   7.7143   42.648   12.693   35.738   9.7145  120.285   23.421  115.635   17.976 4.649559 29.52413 
1 1 1    5   34    6 o   83.556   14.742   19.167   5.7662   27.215   9.1306   13.829   7.4368   97.925   20.604   69.188   21.090 28.73718 29.48346 
1 1 1    5   34    7 o   95.531   13.575   25.321   5.8263   25.101   7.8615   25.590   8.6781   95.802   18.225   95.259   20.123 0.5426483 27.14929 
1 1 1    5   34    8 o  108.288   13.038   32.228   6.3199   35.290   8.5083   28.459   9.4396  116.697   15.601   99.879   20.894 16.81742 26.07557 
1 1 1    5   34    9 o  109.989   15.649   35.233   7.1706   35.723   8.5330   34.056   13.228  117.321   15.563  102.657   27.154 14.66439 31.29761 
1 1 1    5   34   10 o   57.270   13.432   7.0827   4.0136   14.904   7.5174   3.9645   4.7468   71.308   21.085   43.232   16.648 28.07623 26.86467 
1 1 1    5   34   11 o   53.802   11.435   8.2211   4.2052  -9.3149   8.6536   13.642   4.8115   36.076   17.368   71.527   14.878 -35.45158 22.86959 
1 1 1    5   34   12 o   48.844   16.673   6.2836   4.5674   0.0000   0.0000   6.2836   4.5674  ?   ?    48.844   16.673      ?      ? 
1 1 1    5   34   13 o   68.684   14.156   11.780   4.8729   22.908   8.5614   6.4474   5.9265   87.244   21.205   50.124   18.761 37.12021 28.31282 
1 1 1    5   34   14 o   40.288   15.696   3.4156   4.2580   0.0000   0.0000   3.4156   4.2580  ?   ?    40.288   15.696      ?      ? 
1 1 1    5   34   15 f   49.612   13.494   5.4055   4.2903   9.7743   7.2574   3.0585   5.3193   57.657   20.901   41.567   17.074 16.08958 26.98822 
1 1 1    5   34   16 o   74.484   12.307   16.180   4.2721   19.752   5.8683   12.153   6.2315   85.145   15.310   63.822   19.272 21.32371 24.61309 
1 1 1    5   34   17 f   51.356   12.607   7.3693   3.9713   10.082   5.0955   3.1717   6.3383   59.154   17.322   43.558   18.323 15.59618 25.21457 
1 1 1    5   34   18 o   78.596   12.350   22.885   4.9891   3.7678   9.8904   29.409   5.7782   49.580   21.865  107.612   11.489 -58.03198 24.70016 
1 1 1    5   34   19 o  125.576   11.958   38.882   6.3176   57.510   12.674   32.723   7.2875  140.026   19.367  111.126   14.032 28.89937 23.91606 
1 1 1    5   34   20 o   83.457   14.016   18.054   5.2774   34.698   9.6771   11.009   6.2960  107.049   20.080   59.865   19.558 47.18397 28.03103 
1 1 1    5   34   21 f   73.105   13.791   16.384   4.5223   16.502   8.6234   16.340   5.3112   69.670   22.896   76.539   15.381 -6.869156 27.58258 
1 1 1    5   34   22 f  117.124   14.176   39.112   6.4051   45.682   13.153   37.070   7.3334  115.517   25.082  118.731   13.216 -3.213722 28.35102 
1 1 1    5   34   23 o   95.496   13.743   25.473   5.2498   31.845   10.723   23.465   6.0207   97.016   23.824   93.975   13.709 3.041641 27.48682 
1 1 1    5   34   24 o   40.654   12.446   1.0539   4.3729   5.8379   6.8998  -2.1575   5.6531   47.973   19.545   33.334   15.414 14.63955 24.89147 
1 1 1    5   34   25 o   39.312   12.347   0.5834   4.4112   4.2516   7.2085  -1.6126   5.5774   45.096   19.277   33.529   15.435 11.56720 24.69458 
1 1 1    5   34   26 o   95.731   16.069   32.395   6.9603   33.219   8.4448   30.648   12.291  106.479   16.970   84.983   27.292 21.49683 32.13771 
1 1 1    5   35    0 o   66.525   20.287   17.578   9.1696   17.578   9.1696   17.578   9.1696   66.525   28.690   66.525   28.690 -0.000000 0.000000 
1 1 1    5   35    1 o   85.506   14.884   23.544   6.0195   18.261   10.269   26.310   7.4297   72.673   24.995   98.339   16.166 -25.66606 29.76728 
1 1 1    5   35    2 o  115.857   15.192   37.785   7.8199   55.290   13.247   28.422   9.6880  136.380   20.784   95.333   22.164 41.04625 30.38477 
1 1 1    5   35    3 o   75.704   14.908   18.296   5.5253   15.401   8.9251   20.095   7.0356   68.387   23.307   83.020   18.595 -14.63224 29.81591 
1 1 1    5   35    4 o   71.582   13.201   14.943   4.5137   11.693   6.1155   18.832   6.6896   62.567   19.135   80.596   18.192 -18.02942 26.40255 
1 1 1    5   35    5 o   40.682   11.798   1.8750   3.8545  -2.3121   5.4233   6.1489   5.4792   32.971   15.193   48.393   18.054 -15.42170 23.59603 
1 1 1    5   35    6 o   59.926   15.097   9.4168   5.2027   17.295   9.0539   5.5329   6.3572   71.955   23.451   47.896   19.020 24.05950 30.19456 
1 1 1    5   35    7 o  190.954   27.620  168.079   22.696  168.553   39.092  167.838   27.875  161.549   48.155  220.360   27.067 -58.81104 55.24058 
1 1 1    5   35    8 o   61.018   15.639   11.210   5.5799   14.900   9.2487   9.0990   6.9967   66.511   23.657   55.526   20.462 10.98467 31.27820 
1 1 1    5   35    9 o   39.529   18.187  -1.7140   7.7302  -1.7140   7.7302   0.0000   0.0000   39.529   18.187  ?   ?       ?      ? 
1 1 1    5   35   10 o   81.699   18.254   24.319   7.8543   26.768   11.074   21.840   11.142   86.583   25.588   76.814   26.041 9.769577 36.50871 
1 1 1    5   35   11 o  132.326   14.944   50.093   8.7382   69.950   15.009   39.912   10.747  150.757   21.303  113.895   20.963 36.86256 29.88784 
1 1 1    5   35   12 o   51.511   12.513   7.2665   3.8159   10.801   5.5266   4.0463   5.2752   60.107   18.149   42.915   17.230 17.19114 25.02554 
1 1 1    5   35   13 o   34.444   11.064  -0.8295   3.7398  -2.9883   6.6301   0.1778   4.5290   35.275   16.441   33.613   14.812 1.661964 22.12896 
1 1 1    5   35   14 o   28.100   9.2954  -3.4247   3.1208  -1.0425   4.2467  -6.2217   4.6015   30.644   13.859   25.557   12.392 5.087252 18.59071 
1 1 1    5   35   15 o   45.681   11.903   5.1487   3.5834   8.2599   4.9361   1.6819   5.2105   53.272   17.313   38.090   16.338 15.18189 23.80526 
1 1 1    5   35   16 o   76.743   12.559   17.309   4.4806   12.862   6.1467   22.350   6.5450   64.684   19.049   88.801   16.374 -24.11710 25.11885 
1 1 1    5   35   17 o   69.621   11.915   17.274   4.6462   2.2303   8.8731   22.957   5.4536   45.415   20.327   93.826   12.437 -48.41105 23.82973 
1 1 1    5   35   18 o   57.277   13.816   9.1397   4.1287   14.442   7.6657   6.9730   4.9001   65.401   21.591   49.154   17.245 16.24663 27.63294 
1 1 1    5   35   19 o   79.267   14.372   18.076   5.2165   30.428   9.2672   12.347   6.3114   96.729   21.094   61.804   19.526 34.92529 28.74427 
1 1 1    5   35   20 o   73.922   16.789   20.129   6.6099   25.339   10.026   16.123   8.7909   82.025   24.373   65.819   23.098 16.20564 33.57888 
1 1 1    5   35   21 f   96.497   15.723   33.747   6.8424   28.010   12.233   36.358   8.2542   79.995   27.286  112.998   15.630 -33.00340 31.44598 
1 1 1    5   36    1 o   46.328   13.529   1.9059   5.1372   11.361   8.0193  -4.6749   6.6902   59.074   21.880   33.581   15.918 25.49294 27.05741 
1 1 1    5   36    2 o  130.928   31.687   70.956   19.180   0.0000   0.0000   70.956   19.180  ?   ?   130.928   31.687      ?      ? 
1 1 1    5   36    3 o   54.408   14.923   8.8097   5.5380   5.9866   7.8982   11.540   7.7674   49.337   20.583   59.480   21.614 -10.14336 29.84646 
1 1 1    5   36    4 o   62.163   14.985   13.094   5.4399   8.9804   9.3916   15.170   6.6734   54.807   22.619   69.518   19.661 -14.71150 29.97015 
1 1 1    5   36    5 f   51.571   14.840   7.0590   5.5959   10.168   8.5569   4.7356   7.3968   56.451   22.177   46.690   19.725 9.760983 29.68033 
1 1 1    5   36    6 o   64.050   12.117   11.417   4.3511   3.1436   5.8670   21.529   6.4864   41.707   17.591   86.393   16.669 -44.68637 24.23408 
1 1 1    5   36    7 o   63.051   21.099   13.228   7.3130   0.0000   0.0000   13.228   7.3130  ?   ?    63.051   21.099      ?      ? 
1 1 1    5   36    8 o   85.855   18.960   29.709   8.4730   30.201   10.950   28.974   13.376   90.648   25.025   81.063   28.489 9.585579 37.91974 
1 1 1    5   36    9 o   54.086   14.873   8.7781   4.8475   8.2690   5.4865   10.590   10.350   52.103   18.250   56.069   23.491 -3.966129 29.74674 
1 1 1    5   36   10 o   65.539   12.370   14.142   4.6618   21.549   6.1276   3.9652   7.1831   86.678   15.705   44.400   19.117 42.27811 24.74057 
1 1 1    5   36   11 o   75.224   15.663   21.185   6.0613   22.922   7.2098   16.998   11.193   86.241   18.446   64.207   25.320 22.03416 31.32667 
1 1 1    5   36   12 o   71.640   11.991   16.253   4.3589   8.5906   6.4285   22.773   5.9303   52.102   19.532   91.177   13.917 -39.07458 23.98293 
1 1 1    5   36   13 o   46.046   12.230   5.9425   3.6161   7.5575   5.1543   4.3771   5.0744   49.904   17.670   42.188   16.913 7.715900 24.45972 
1 1 1    6    0    0 o  681.290   37.452  1125.05  166.297  1125.05  166.297  1125.05  166.297  681.290   52.965  681.290   52.965 -0.000000 0.000000 
1 1 1    6    0    1 f  221.093   9.3092  115.712   13.493  115.712   13.493  115.712   13.493  221.093   13.165  221.093   13.165 -0.000000 0.000000 
1 1 1    6    0    2 o  198.773   8.5768   93.545   11.172   93.545   11.172   93.545   11.172  198.773   12.129  198.773   12.129 -0.000000 0.000000 
1 1 1    6    0    3 o  211.498   9.0056  105.899   12.484  105.899   12.484  105.899   12.484  211.498   12.736  211.498   12.736 -0.000000 0.000000 
1 1 1    6    0    4 o  152.097   7.3100   54.884   7.2705   54.884   7.2705   54.884   7.2705  152.097   10.338  152.097   10.338 -0.000000 0.000000 
1 1 1    6    0    5 o  446.442   17.262  473.870   50.586  473.870   50.586  473.870   50.586  446.442   24.412  446.442   24.412 -0.000000 0.000000 
1 1 1    6    0    6 f  657.878   25.374  1038.90  109.579  1038.90  109.579  1038.90  109.579  657.878   35.884  657.878   35.884 -0.000000 0.000000 
1 1 1    6    0    7 o   86.117   6.8299   17.996   3.7619   17.996   3.7619   17.996   3.7619   86.117   9.6590   86.117   9.6590 -0.000000 0.000000 
1 1 1    6    0    8 o  121.281   9.4045   35.675   7.3077   35.675   7.3077   35.675   7.3077  121.281   13.300  121.281   13.300 -0.000000 0.000000 
1 1 1    6    0   11 o   94.779   14.574   23.830   8.0008   23.830   8.0008   23.830   8.0008   94.779   20.611   94.779   20.611 -0.000000 0.000000 
1 1 1    6    0   12 o  447.638   24.083  484.435   70.305  484.435   70.305  484.435   70.305  447.638   34.059  447.638   34.059 -0.000000 0.000000 
1 1 1    6    0   13 o  322.093   27.777  259.083   56.784  259.083   56.784  259.083   56.784  322.093   39.283  322.093   39.283 -0.000000 0.000000 
1 1 1    6    0   14 o  100.331   9.1517   24.732   5.7909   24.732   5.7909   24.732   5.7909  100.331   12.942  100.331   12.942 -0.000000 0.000000 
1 1 1    6    0   15 o  381.915   21.211  351.317   52.782  351.317   52.782  351.317   52.782  381.915   29.997  381.915   29.997 -0.000000 0.000000 
1 1 1    6    0   16 o  108.438   9.3581   28.741   6.4400   28.741   6.4400   28.741   6.4400  108.438   13.234  108.438   13.234 -0.000000 0.000000 
1 1 1    6    0   17 f  319.270   17.757  244.510   36.937  244.510   36.937  244.510   36.937  319.270   25.112  319.270   25.112 -0.000000 0.000000 
1 1 1    6    0   18 o  414.406   22.021  412.444   59.532  412.444   59.532  412.444   59.532  414.406   31.143  414.406   31.143 -0.000000 0.000000 
1 1 1    6    0   19 o  443.080   24.734  472.189   71.395  472.189   71.395  472.189   71.395  443.080   34.980  443.080   34.980 -0.000000 0.000000 
1 1 1    6    0   20 o  275.991   24.052  187.400   42.085  187.400   42.085  187.400   42.085  275.991   34.014  275.991   34.014 -0.000000 0.000000 
1 1 1    6    0   21 o  540.206   27.932  700.099   98.502  700.099   98.502  700.099   98.502  540.206   39.501  540.206   39.501 -0.000000 0.000000 
1 1 1    6    0   22 o  741.220   40.837  1335.46  197.266  1335.46  197.266  1335.46  197.266  741.220   57.752  741.220   57.752 -0.000000 0.000000 
1 1 1    6    0   23 f  728.300   39.884  1287.92  189.339  1287.92  189.339  1287.92  189.339  728.300   56.405  728.300   56.405 -0.000000 0.000000 
1 1 1    6    0   24 o  538.376   28.737  696.371  100.915  696.371  100.915  696.371  100.915  538.376   40.640  538.376   40.640 -0.000000 0.000000 
1 1 1    6    0   25 o  470.130   24.504  529.129   75.189  529.129   75.189  529.129   75.189  470.130   34.654  470.130   34.654 -0.000000 0.000000 
1 1 1    6    0   26 o  104.812   20.494   31.006   12.279   31.006   12.279   31.006   12.279  104.812   28.983  104.812   28.983 -0.000000 0.000000 
1 1 1    6    0   27 o  486.889   40.319  588.414  125.092  588.414  125.092  588.414  125.092  486.889   57.019  486.889   57.019 -0.000000 0.000000 
1 1 1    6    0   29 o  520.376   43.398  679.746  143.810  679.746  143.810  679.746  143.810  520.376   61.374  520.376   61.374 -0.000000 0.000000 
1 1 1    6    0   30 o  292.426   13.311  203.012   25.482  203.012   25.482  203.012   25.482  292.426   18.824  292.426   18.824 -0.000000 0.000000 
1 1 1    6    0   31 o  398.294   17.685  377.488   46.135  377.488   46.135  377.488   46.135  398.294   25.011  398.294   25.011 -0.000000 0.000000 
1 1 1    6    0   32 o   72.339   12.175   14.147   5.0520   14.147   5.0520   14.147   5.0520   72.339   17.219   72.339   17.219 -0.000000 0.000000 
1 1 1    6    0   33 o  192.164   9.0405   87.592   11.366   87.592   11.366   87.592   11.366  192.164   12.785  192.164   12.785 -0.000000 0.000000 
1 1 1    6    0   34 o  319.289   13.978  242.123   29.240  242.123   29.240  242.123   29.240  319.289   19.769  319.289   19.769 -0.000000 0.000000 
1 1 1    6    0   35 o   66.040   13.277   12.409   5.0210   12.409   5.0210   12.409   5.0210   66.040   18.777   66.040   18.777 -0.000000 0.000000 
1 1 1    6    0   36 o  362.840   16.236  313.582   38.578  313.582   38.578  313.582   38.578  362.840   22.961  362.840   22.961 -0.000000 0.000000 
1 1 1    6    0   37 o  115.920   9.2788   32.686   6.8741   32.686   6.8741   32.686   6.8741  115.920   13.122  115.920   13.122 -0.000000 0.000000 
1 1 1    6    0   38 o  179.870   10.405   77.482   12.179   77.482   12.179   77.482   12.179  179.870   14.715  179.870   14.715 -0.000000 0.000000 
1 1 1    6    0   39 o  181.928   10.344   79.227   12.252   79.227   12.252   79.227   12.252  181.928   14.628  181.928   14.628 -0.000000 0.000000 
1 1 1    6    0   40 o   89.832   15.949   22.254   8.1908   22.254   8.1908   22.254   8.1908   89.832   22.556   89.832   22.556 -0.000000 0.000000 
1 1 1    6    0   41 o  403.078   21.640  395.896   56.887  395.896   56.887  395.896   56.887  403.078   30.604  403.078   30.604 -0.000000 0.000000 
1 1 1    6    0   42 o  156.185   9.9640   58.734   10.093   58.734   10.093   58.734   10.093  156.185   14.091  156.185   14.091 -0.000000 0.000000 
1 1 1    6    0   43 o  336.802   19.857  278.193   43.495  278.193   43.495  278.193   43.495  336.802   28.082  336.802   28.082 -0.000000 0.000000 
1 1 1    6    0   44 o   65.308   22.470   15.202   11.393   15.202   11.393   15.202   11.393   65.308   31.777   65.308   31.777 -0.000000 0.000000 
1 1 1    6    0   45 o  316.289   18.465  245.062   37.995  245.062   37.995  245.062   37.995  316.289   26.113  316.289   26.113 -0.000000 0.000000 
1 1 1    6    0   46 o  204.518   10.937  100.457   14.589  100.457   14.589  100.457   14.589  204.518   15.467  204.518   15.467 -0.000000 0.000000 
1 1 1    6    0   47 o  251.916   12.408  152.745   20.430  152.745   20.430  152.745   20.430  251.916   17.548  251.916   17.548 -0.000000 0.000000 
1 1 1    6    0   48 o  100.358   11.036   25.472   6.7930   25.472   6.7930   25.472   6.7930  100.358   15.608  100.358   15.608 -0.000000 0.000000 
1 1 1    6    0   49 o  242.880   12.433  142.533   19.717  142.533   19.717  142.533   19.717  242.880   17.582  242.880   17.582 -0.000000 0.000000 
1 1 1    6    0   50 o   32.229   13.767   2.4785   5.3731   2.4785   5.3731   2.4785   5.3731   32.229   19.469   32.229   19.469 -0.000000 0.000000 
1 1 1    6    0   51 o  135.077   10.064   44.613   8.7570   44.613   8.7570   44.613   8.7570  135.077   14.233  135.077   14.233 -0.000000 0.000000 
1 1 1    6    0   52 o  128.516   10.549   40.740   8.6454   40.740   8.6454   40.740   8.6454  128.516   14.918  128.516   14.918 -0.000000 0.000000 
1 1 1    6    0   53 o   29.835   13.241   1.2579   5.4365   1.2579   5.4365   1.2579   5.4365   29.835   18.725   29.835   18.725 -0.000000 0.000000 
1 1 1    6    0   54 o  144.597   10.212   51.021   9.5364   51.021   9.5364   51.021   9.5364  144.597   14.442  144.597   14.442 -0.000000 0.000000 
1 1 1    6    0   55 o   31.840   13.866   2.0440   5.6860   2.0440   5.6860   2.0440   5.6860   31.840   19.609   31.840   19.609 -0.000000 0.000000 
1 1 1    6    0   56 o   18.306   9.4016 -13.1568   6.3383 -13.1568   6.3383 -13.1568   6.3383   18.306   13.296   18.306   13.296 -0.000000 0.000000 
1 1 1    6    0   57 o   19.779   10.105 -12.6256   6.8366 -12.6256   6.8366 -12.6256   6.8366   19.779   14.290   19.779   14.290 -0.000000 0.000000 
1 1 1    6    0   58 o   27.838   13.677  -7.1108   8.8637  -7.1108   8.8637  -7.1108   8.8637   27.838   19.342   27.838   19.342 -0.000000 0.000000 
1 1 1    6    0   59 o   46.944   20.428   5.6861   12.320   5.6861   12.320   5.6861   12.320   46.944   28.889   46.944   28.889 -0.000000 0.000000 
1 1 1    6    0   60 o   54.233   19.231   11.000   8.4511   11.000   8.4511   11.000   8.4511   54.233   27.196   54.233   27.196 -0.000000 0.000000 
1 1 1    6    0   61 f  135.937   11.980   46.612   10.312   46.612   10.312   46.612   10.312  135.937   16.942  135.937   16.942 -0.000000 0.000000 
1 1 1    6    0   62 o   59.801   20.626   13.636   9.6104   13.636   9.6104   13.636   9.6104   59.801   29.170   59.801   29.170 -0.000000 0.000000 
1 1 1    6    0   63 o   55.884   19.920   12.139   9.0958   12.139   9.0958   12.139   9.0958   55.884   28.171   55.884   28.171 -0.000000 0.000000 
1 1 1    6    0   64 o   30.393   14.034  -0.0239   6.9109  -0.0239   6.9109  -0.0239   6.9109   30.393   19.846   30.393   19.846 -0.000000 0.000000 
1 1 1    6    0   65 o   43.528   20.273   1.3529   14.890   1.3529   14.890   1.3529   14.890   43.528   28.670   43.528   28.670 -0.000000 0.000000 
1 1 1    6    0   66 o   18.546   9.5277 -12.9852   6.5361 -12.9852   6.5361 -12.9852   6.5361   18.546   13.474   18.546   13.474 -0.000000 0.000000 
1 1 1    6    0   67 o   24.347   11.909  -4.3612   6.5352  -4.3612   6.5352  -4.3612   6.5352   24.347   16.842   24.347   16.842 -0.000000 0.000000 
1 1 1    6    0   68 o   20.107   10.317 -13.9692   7.5341 -13.9692   7.5341 -13.9692   7.5341   20.107   14.590   20.107   14.590 -0.000000 0.000000 
1 1 1    6    0   69 o   89.123   26.388   34.843   15.590   34.843   15.590   34.843   15.590   89.123   37.319   89.123   37.319 -0.000000 0.000000 
1 1 1    6    0   70 o   33.843   15.918   0.5714   9.5526   0.5714   9.5526   0.5714   9.5526   33.843   22.511   33.843   22.511 -0.000000 0.000000 
1 1 1    6    0   71 o   28.843   13.869  -1.7462   8.0442  -1.7462   8.0442  -1.7462   8.0442   28.843   19.614   28.843   19.614 -0.000000 0.000000 
1 1 1    6    1    0 f  647.890   24.759  1006.39  105.314  1006.39  105.314  1006.39  105.314  647.890   35.015  647.890   35.015 -0.000000 0.000000 
1 1 1    6    1    1 o  305.445   12.041  219.839   17.186  215.644   24.305  224.034   24.305  302.506   17.191  308.384   16.864 -5.877502 24.08178 
1 1 1    6    1    2 o  296.973   11.584  207.684   16.077  204.877   22.735  210.491   22.737  294.951   16.493  298.995   16.271 -4.044556 23.16853 
1 1 1    6    1    3 o  244.686   9.9548  140.807   11.371  148.506   16.084  133.114   16.078  251.416   13.689  237.957   14.457 13.45872 19.90960 
1 1 1    6    1    4 o  315.994   12.257  235.380   18.098  239.708   25.596  231.054   25.593  318.924   17.173  313.065   17.492 5.859406 24.51306 
1 1 1    6    1    5 o  236.577   10.244  131.720   11.203  132.560   14.820  130.601   17.113  237.565   13.348  235.588   15.543 1.977325 20.48801 
1 1 1    6    1    6 o  388.179   14.620  357.447   26.405  318.932   37.338  395.982   37.347  366.944   21.773  409.414   19.519 -42.47043 29.24098 
1 1 1    6    1    7 o  237.860   16.693  136.938   15.870  129.087   31.741  139.555   18.324  232.234   29.245  243.486   16.103 -11.25179 33.38560 
1 1 1    6    1    8 f  110.509   12.294   29.224   6.1804   32.686   8.8097   25.868   8.6728  117.851   15.995  103.166   18.675 14.68484 24.58875 
1 1 1    6    1    9 o  208.234   17.656  103.085   17.163  108.892   24.296   97.302   24.247  214.185   24.272  202.283   25.648 11.90166 35.31225 
1 1 1    6    1   10 o  484.525   55.550  593.650  125.789  593.650  125.789   0.0000   0.0000  484.525   55.550  ?   ?       ?      ? 
1 1 1    6    1   11 f  156.418   12.611   57.860   8.6712   57.133   15.025   58.222   10.618  155.443   20.683  157.393   14.435 -1.949905 25.22182 
1 1 1    6    1   12 o  648.864   36.210  1069.13  109.012  1206.08  154.181  932.229  154.152  694.012   47.536  603.716   54.635 90.29541 72.42017 
1 1 1    6    1   13 o  217.902   12.793  112.256   13.023  115.862   18.419  108.651   18.416  221.442   17.797  214.362   18.382 7.080414 25.58625 
1 1 1    6    1   14 o  480.726   26.149  564.935   58.610  522.093   82.883  607.786   82.890  461.656   38.415  499.796   35.487 -38.14017 52.29774 
1 1 1    6    1   15 o  160.141   10.479   60.371   7.8280   56.099   11.074   64.636   11.066  154.438   15.343  165.845   14.278 -11.40736 20.95894 
1 1 1    6    1   16 o  408.748   22.121  400.354   42.257  396.602   59.763  404.105   59.757  406.784   31.436  410.712   31.132 -3.928864 44.24289 
1 1 1    6    1   17 o  156.209   10.189   57.711   7.3580   47.908   10.386   67.589   10.426  142.732   15.570  169.687   13.146 -26.95535 20.37770 
1 1 1    6    1   18 o  301.638   22.134  226.607   28.635  243.956   35.079  191.960   49.573  321.133   23.374  282.144   37.595 38.98889 44.26887 
1 1 1    6    1   19 o  178.703   14.480   77.748   11.184   68.078   19.346   82.601   13.706  169.798   24.379  187.608   15.632 -17.81050 28.96042 
1 1 1    6    1   20 o  595.404   32.242  854.454   89.704  838.571  126.858  870.339  126.863  589.696   46.031  601.112   45.158 -11.41577 64.48331 
1 1 1    6    1   21 o  300.799   16.865  213.121   23.707  210.400   33.530  215.841   33.525  298.863   24.006  302.734   23.695 -3.870728 33.73053 
1 1 1    6    1   22 o  449.169   24.217  479.039   50.827  489.159   71.882  468.920   71.878  453.989   33.879  444.348   34.612 9.641113 48.43344 
1 1 1    6    1   23 o  323.552   17.707  246.730   26.775  247.183   37.864  246.277   37.867  323.852   25.017  323.253   25.066 0.5993042 35.41371 
1 1 1    6    1   24 o  391.505   21.179  363.379   38.623  329.657   54.607  397.136   54.636  373.066   31.320  409.944   28.518 -36.87753 42.35800 
1 1 1    6    1   25 o  348.547   23.672  287.695   36.356  286.296   44.513  290.500   63.010  348.183   27.355  348.911   38.641 -0.7277832 47.34386 
1 1 1    6    1   26 o  191.867   19.270   89.785   16.296   64.694   22.992  115.116   23.102  162.578   31.397  221.156   22.351 -58.57819 38.54012 
1 1 1    6    1   27 o  334.814   25.844  264.468   40.440  264.468   40.440   0.0000   0.0000  334.814   25.844  ?   ?       ?      ? 
1 1 1    6    1   28 o  210.305   25.506  104.395   25.069  104.395   25.069   0.0000   0.0000  210.305   25.506  ?   ?       ?      ? 
1 1 1    6    1   29 o  429.880   32.094  464.529   59.332  494.344   72.651  404.819  102.813  454.869   34.175  404.891   54.333 49.97842 64.18755 
1 1 1    6    1   30 o   48.153   12.487   4.4227   3.6416   5.5426   4.4647   2.1970   6.2944   49.825   16.479   46.481   18.765 3.343716 24.97390 
1 1 1    6    1   31 o  252.730   12.332  147.536   14.325  136.438   18.385  164.685   22.853  240.950   16.326  264.509   18.487 -23.55847 24.66361 
1 1 1    6    1   32 o  117.476   10.016   31.163   5.3727   26.894   6.7715   38.417   8.8269  107.054   13.534  127.898   14.767 -20.84388 20.03134 
1 1 1    6    1   33 o  167.462   11.078   65.590   8.5863   53.816   11.723   79.217   12.611  151.269   16.582  183.656   14.693 -32.38670 22.15539 
1 1 1    6    1   34 o  435.849   22.397  465.540   44.027  501.983   56.821  410.794   69.645  459.337   26.469  412.362   36.138 46.97473 44.79485 
1 1 1    6    1   35 o  161.976   8.9079   61.575   6.7425   61.990   9.6220   61.175   9.4509  162.508   12.669  161.444   12.526 1.063751 17.81580 
1 1 1    6    1   36 o  276.461   12.489  180.938   16.029  204.972   22.688  156.987   22.649  295.029   16.455  257.894   18.791 37.13446 24.97759 
1 1 1    6    1   37 o  250.665   13.612  147.115   15.709  159.380   24.801  138.897   20.301  259.044   20.486  242.285   17.929 16.75917 27.22351 
1 1 1    6    1   38 o  254.426   14.152  154.656   16.456  151.439   25.989  156.809   21.261  251.694   22.094  257.158   17.691 -5.463699 28.30361 
1 1 1    6    1   39 o  279.014   15.270  186.907   19.753  159.915   27.866  214.166   28.003  258.227   23.091  299.800   19.986 -41.57333 30.53904 
1 1 1    6    1   40 o  226.874   17.371  129.959   16.909  107.278   28.953  141.698   20.830  209.589   29.559  244.158   18.255 -34.56889 34.74138 
1 1 1    6    1   41 o   63.474   12.159   10.313   4.3098   0.5365   7.0473   16.154   5.4472   45.536   19.247   81.411   14.864 -35.87539 24.31837 
1 1 1    6    1   42 o  269.149   14.356  178.068   17.407  154.927   27.472  193.591   22.501  253.094   23.226  285.204   16.881 -32.10956 28.71231 
1 1 1    6    1   43 o  271.284   20.664  184.913   24.513  188.813   30.093  177.222   42.261  278.672   23.106  263.897   34.266 14.77573 41.32865 
1 1 1    6    1   44 o  142.231   19.198   53.648   12.254   76.730   17.046   28.959   17.629  178.290   20.457  106.173   32.492 72.11689 38.39532 
1 1 1    6    1   45 o  116.502   11.386   32.545   6.1713   35.413   8.6320   29.546   8.8264  121.918   15.150  111.085   17.001 10.83372 22.77186 
1 1 1    6    1   46 o  179.447   10.946   75.200   9.0722   65.565   11.792   89.176   14.202  165.740   15.223  193.154   15.733 -27.41451 21.89199 
1 1 1    6    1   47 o  105.869   11.925   28.400   5.5014   32.556   7.2027   22.579   8.5231  116.987   13.174   94.751   19.881 22.23573 23.85002 
1 1 1    6    1   48 o   57.728   12.939   7.9002   3.8767   7.1294   5.0717   8.9835   6.0127   54.688   17.528   60.768   19.039 -6.079277 25.87840 
1 1 1    6    1   49 o  147.419   10.840   52.073   7.3693   51.281   9.6403   53.187   11.430  146.390   14.091  148.449   16.476 -2.058472 21.67934 
1 1 1    6    1   50 o  166.522   9.8254   66.303   7.6464   66.539   10.799   66.066   10.829  166.831   13.850  166.213   13.940 0.6177826 19.65077 
1 1 1    6    1   51 o   76.585   13.413   14.776   4.7801   12.648   6.4653   17.341   7.0994   70.571   19.126   82.599   18.812 -12.02776 26.82666 
1 1 1    6    1   52 o   77.321   13.118   15.393   5.3129   4.9562   7.7911   24.465   7.2638   54.135   21.193  100.507   15.464 -46.37170 26.23518 
1 1 1    6    1   53 o  109.343   10.481   28.845   5.3560   28.943   7.5763   28.748   7.5728  109.533   14.800  109.153   14.845 0.3796692 20.96233 
1 1 1    6    1   54 o   91.902   14.563   21.700   6.1019   22.695   8.6333   20.706   8.6255   94.167   20.221   89.638   20.964 4.528763 29.12667 
1 1 1    6    1   55 o  170.470   11.115   68.095   8.5264   46.312   11.094   99.530   13.327  137.639   17.246  203.301   14.027 -65.66176 22.23028 
1 1 1    6    1   56 o  184.879   17.675   84.381   15.272   0.0000   0.0000   84.381   15.272  ?   ?   184.879   17.675      ?      ? 
1 1 1    6    1   57 o  211.600   12.409  108.992   12.085  117.644   19.076  103.192   15.619  217.770   18.743  205.431   16.268 12.33833 24.81855 
1 1 1    6    1   58 o   53.221   15.728   1.9988   6.8837  -5.3463   10.815   7.0012   8.9251   47.240   21.652   59.203   22.819 -11.96260 31.45686 
1 1 1    6    1   60 f  116.713   14.381   34.300   7.5800   28.593   9.8003   42.796   11.959  103.950   20.898  129.476   19.763 -25.52665 28.76256 
1 1 1    6    1   61 o   83.899   15.275   18.918   6.0094   17.208   8.1008   21.012   8.9613   79.819   21.315   87.979   21.885 -8.159790 30.54923 
1 1 1    6    1   62 o  196.796   19.679  112.934   14.766   99.895   28.380  117.774   17.291  177.590   35.436  216.002   17.129 -38.41191 39.35878 
1 1 1    6    1   63 o   50.955   14.575   2.8862   5.7736   9.0962   8.2190  -3.1635   8.1122   60.477   22.194   41.432   18.900 19.04451 29.15095 
1 1 1    6    1   64 o   38.141   12.929 -10.4263   6.6157 -10.2380   9.3251 -10.6170   9.3873   38.200   18.296   38.083   18.271 0.1173820 25.85712 
1 1 1    6    1   65 o   54.881   16.043   5.2416   6.7932   1.9204   10.396   7.7162   8.9740   51.822   22.648   57.940   22.728 -6.117931 32.08544 
1 1 1    6    1   66 o   59.751   15.736   9.8199   5.9204   11.295   7.4888   7.3612   9.6679   62.799   21.349   56.703   23.123 6.095997 31.47135 
1 1 1    6    1   67 o   48.504   14.159   2.0017   5.2386  -2.2492   6.5701   9.4218   8.6802   37.392   17.038   59.616   22.619 -22.22397 28.31816 
1 1 1    6    1   68 o   63.802   17.413   6.5843   6.4776   0.8918   7.2801   28.220   14.193   42.273   18.695   85.332   29.382 -43.05867 34.82557 
1 1 1    6    1   69 o   56.163   16.190   8.9837   6.1610   9.9204   6.7750   4.5072   14.811   57.328   20.263   54.999   25.256 2.329460 32.37980 
1 1 1    6    1   70 o   43.648   14.556  -1.5947   6.1135  -2.2546   6.8093   1.1478   13.882   36.519   16.897   50.776   23.707 -14.25740 29.11265 
1 1 1    6    1   71 o   51.266   16.042   6.3146   7.7441   9.2170   9.9446   1.8428   12.344   54.265   22.896   48.267   22.475 5.998459 32.08338 
1 1 1    6    2    0 o  211.764   8.8505  106.118   12.288  106.118   12.288  106.118   12.288  211.764   12.516  211.764   12.516 -0.000000 0.000000 
1 1 1    6    2    1 o  189.535   8.2005   84.303   7.2598   81.040   10.267   87.564   10.266  185.852   11.821  193.217   11.369 -7.365250 16.40107 
1 1 1    6    2    2 o  424.562   16.071  427.648   31.871  411.974   45.071  443.324   45.075  416.662   23.146  432.462   22.302 -15.79926 32.14194 
1 1 1    6    2    3 f  108.039   6.0550   27.338   3.0563   28.184   4.3265   26.496   4.3180  109.710   8.4381  106.368   8.6862 3.342522 12.10999 
1 1 1    6    2    4 f  235.953   11.048  131.077   12.174  137.067   17.223  125.096   17.210  241.380   15.267  230.525   15.974 10.85518 22.09673 
1 1 1    6    2    5 o  246.799   12.195  146.457   13.108  135.255   22.704  152.059   16.054  239.170   20.312  254.427   13.501 -15.25679 24.38942 
1 1 1    6    2    6 o  466.671   23.355  522.983   49.958  533.389   79.001  516.049   64.489  469.196   36.028  464.146   29.730 5.049530 46.71007 
1 1 1    6    2    7 o  236.076   17.382  135.570   17.820  123.519   30.872  141.591   21.823  227.238   29.070  244.913   19.066 -17.67531 34.76435 
1 1 1    6    2    8 o  467.082   22.896  521.130   49.087  508.115   63.369  540.655   77.616  460.958   29.415  473.207   35.096 -12.24911 45.79296 
1 1 1    6    2    9 o  119.493   10.603   34.615   5.0398   35.637   5.8194   31.548   10.080  123.326   10.097  115.660   18.647 7.666389 21.20522 
1 1 1    6    2   10 o  282.718   20.907  199.473   25.333  168.625   43.870  214.905   31.029  264.151   35.537  301.286   22.036 -37.13525 41.81447 
1 1 1    6    2   11 o  189.163   15.613   91.254   12.393   68.558   21.445  102.635   15.185  169.486   27.074  208.840   15.558 -39.35481 31.22593 
1 1 1    6    2   12 o  462.160   33.467  554.770   66.326  484.986  114.866  589.675   81.238  432.350   56.848  491.970   35.333 -59.61981 66.93353 
1 1 1    6    2   13 o  186.591   11.602   82.238   10.093   88.966   14.290   75.541   14.256  194.286   15.738  178.896   17.051 15.39049 23.20400 
1 1 1    6    2   14 o  375.795   20.876  338.953   36.649  349.785   51.832  328.125   51.827  381.961   29.036  369.629   30.002 12.33197 41.75154 
1 1 1    6    2   15 o  169.584   10.921   67.793   8.6235   61.119   12.194   74.471   12.197  161.161   16.190  178.007   14.662 -16.84596 21.84180 
1 1 1    6    2   16 o  254.262   14.425  152.959   17.095  165.935   24.193  140.020   24.159  265.164   19.523  243.359   21.242 21.80458 28.85036 
1 1 1    6    2   17 o  146.767   10.082   50.724   6.8866   56.163   9.7529   45.315   9.7254  154.673   13.492  138.860   14.986 15.81325 20.16470 
1 1 1    6    2   18 o  334.176   18.374  264.749   28.681  274.743   40.573  254.767   40.548  340.570   25.491  327.783   26.469 12.78757 36.74794 
1 1 1    6    2   19 o  179.259   11.257   75.457   9.4202   79.589   13.332   71.337   13.312  184.184   15.488  174.335   16.339 9.848282 22.51326 
1 1 1    6    2   20 o  213.857   11.365  109.078   11.014  115.588   14.205   99.267   17.439  222.103   13.685  205.612   18.148 16.49022 22.72967 
1 1 1    6    2   21 o  753.984   34.577  1343.26  120.182  1204.42  155.136  1551.63  190.057  707.247   46.935  800.721   50.788 -93.47430 69.15437 
1 1 1    6    2   22 o  552.916   27.520  751.351   68.231  828.716   88.088  635.317  107.880  591.434   31.869  514.398   44.874 77.03546 55.03943 
1 1 1    6    2   23 f  859.799   42.210  1816.19  165.784  1833.27  214.022  1790.58  262.137  869.305   52.680  850.292   65.965 19.01239 84.41913 
1 1 1    6    2   24 o  637.771   40.754  980.104  115.102  949.798  140.972  1040.71  199.358  627.500   48.070  648.043   65.824 -20.54297 81.50841 
1 1 1    6    2   25 o  728.180   50.361  1332.08  160.614  1340.24  196.710  1315.76  278.195  740.455   56.844  715.906   83.148 24.54926 100.7213 
1 1 1    6    2   26 f  499.131   34.419  616.222   74.477  643.627   91.189  561.317  129.072  519.543   37.556  478.719   57.691 40.82489 68.83834 
1 1 1    6    2   27 o  261.456   19.532  160.620   23.866  160.620   23.866   0.0000   0.0000  261.456   19.532  ?   ?       ?      ? 
1 1 1    6    2   28 o  533.199   40.980  682.304  102.119  682.304  102.119   0.0000   0.0000  533.199   40.980  ?   ?       ?      ? 
1 1 1    6    2   29 o  557.615   35.706  751.810   88.167  727.754  107.972  799.951  152.741  548.510   42.120  566.721   57.669 -18.21075 71.41271 
1 1 1    6    2   30 o  421.365   19.968  421.117   38.535  418.645   49.729  424.832   60.966  420.493   25.305  422.237   30.895 -1.743866 39.93544 
1 1 1    6    2   31 o  584.489   26.245  807.433   70.680  739.596   91.221  909.339  111.805  555.194   35.157  613.784   38.976 -58.58954 52.48951 
1 1 1    6    2   32 o  223.346   13.648  122.728   13.519  138.950   17.387   97.924   21.500  243.189   15.298  203.503   22.606 39.68564 27.29577 
1 1 1    6    2   33 o  289.435   14.835  198.876   19.573  202.936   25.206  192.710   31.064  293.524   18.375  285.346   23.294 8.177826 29.66913 
1 1 1    6    2   34 o  207.289   11.954  102.178   11.271  105.902   14.524   96.540   17.871  212.281   14.639  202.297   18.902 9.983627 23.90825 
1 1 1    6    2   35 o  171.941   11.036   69.956   8.6371   71.400   11.093   67.731   13.765  174.348   13.614  169.533   17.373 4.814209 22.07143 
1 1 1    6    2   36 o  453.346   29.172  510.008   52.869  515.982   61.068  492.133  105.631  464.511   28.130  442.181   51.115 22.33047 58.34415 
1 1 1    6    2   37 o  204.603   13.092  103.794   11.868  118.924   15.331   81.168   18.748  224.613   14.605  184.593   21.732 40.02019 26.18335 
1 1 1    6    2   38 o  372.085   18.731  333.189   31.941  328.561   41.213  340.148   50.543  370.007   23.833  374.163   28.904 -4.156555 37.46292 
1 1 1    6    2   39 o  173.601   11.253   72.285   8.9068   76.419   11.604   66.357   13.896  179.993   13.794  167.209   17.783 12.78400 22.50575 
1 1 1    6    2   40 o  206.444   11.958  102.506   11.184   94.771   17.790  107.560   14.380  199.499   19.081  213.389   14.420 -13.89087 23.91653 
1 1 1    6    2   41 o  137.500   11.565   44.973   7.4090   42.929   10.748   46.823   10.227  134.419   17.109  140.582   15.566 -6.163849 23.13062 
1 1 1    6    2   42 o  313.563   16.695  243.396   23.640  214.497   37.205  262.964   30.615  295.942   26.900  331.183   19.780 -35.24112 33.38925 
1 1 1    6    2   43 o  219.602   14.099  116.497   14.402  128.669   20.314  104.196   20.422  231.542   18.772  207.661   21.042 23.88080 28.19894 
1 1 1    6    2   44 o  145.641   18.604   53.519   12.259   62.899   17.266   43.983   17.409  160.734   22.985  130.548   29.258 30.18588 37.20720 
1 1 1    6    2   45 o  334.814   19.820  281.294   30.668  236.015   43.368  326.589   43.376  305.875   30.338  363.754   25.515 -57.87952 39.64069 
1 1 1    6    2   46 o  114.412   10.014   31.237   5.3339   28.139   7.5445   34.332   7.5421  108.621   14.862  120.204   13.426 -11.58303 20.02806 
1 1 1    6    2   47 o  171.836   10.272   70.837   8.1776   81.877   11.622   60.011   11.508  185.432   13.411  158.241   15.562 27.19072 20.54311 
1 1 1    6    2   48 o  205.442   12.182  103.874   11.336  110.382   14.657   94.185   17.885  214.585   14.615  196.299   19.495 18.28604 24.36479 
1 1 1    6    2   49 o  107.864   11.827   27.832   5.5575   17.456   7.3082   42.059   8.5580   83.067   19.208  132.660   13.803 -49.59277 23.65374 
1 1 1    6    2   50 o   93.065   13.145   21.543   5.5987   14.242   7.6919   29.769   8.1647   74.928   21.080  111.202   15.710 -36.27422 26.28986 
1 1 1    6    2   51 o  149.589   12.067   54.832   8.3463   46.210   11.845   63.335   11.763  137.319   18.457  161.858   15.550 -24.53905 24.13395 
1 1 1    6    2   52 o  152.331   12.148   56.769   8.5398   46.054   11.873   68.253   12.291  136.855   18.564  167.807   15.673 -30.95206 24.29549 
1 1 1    6    2   53 o   60.225   13.234   8.6842   4.6123   13.709   6.0675   1.8060   7.0990   73.483   17.845   46.967   19.547 26.51601 26.46812 
1 1 1    6    2   54 o  107.992   13.796   28.611   6.3091   27.594   7.5803   30.904   11.382  106.881   15.176  109.102   23.044 -2.221230 27.59245 
1 1 1    6    2   55 o   75.528   12.301   16.352   5.3641   26.594   6.6420  -2.8549   9.0960  105.163   13.514   45.894   20.558 59.26965 24.60209 
1 1 1    6    2   56 o  117.392   11.663   33.822   6.3260   33.365   9.6475   34.167   8.3786  116.262   17.756  118.521   15.126 -2.258385 23.32521 
1 1 1    6    2   57 o  121.671   11.456   35.680   6.4624   42.411   9.7916   30.486   8.6020  131.790   15.897  111.552   16.500 20.23850 22.91224 
1 1 1    6    2   58 o  100.992   23.592   27.428   10.934   0.0000   0.0000   27.428   10.934  ?   ?   100.992   23.592      ?      ? 
1 1 1    6    2   59 o   70.353   27.336   10.983   12.888   0.0000   0.0000   10.983   12.888  ?   ?    70.353   27.336      ?      ? 
1 1 1    6    2   60 o  176.020   16.570   77.461   13.042   67.372   15.910   98.130   22.772  161.445   21.086  190.594   25.565 -29.14928 33.13912 
1 1 1    6    2   61 o  108.915   13.714   29.642   6.7222   23.481   8.6496   39.038   10.682   93.914   20.299  123.916   18.445 -30.00212 27.42783 
1 1 1    6    2   62 o  174.249   12.541   74.951   9.9592   67.849   12.543   87.065   16.382  164.464   16.319  184.035   19.047 -19.57097 25.08195 
1 1 1    6    2   63 o   88.733   19.417   22.144   9.2157   13.082   11.988   35.236   14.409   70.083   26.584  107.383   28.309 -37.29984 38.83422 
1 1 1    6    2   64 o   46.649   14.215   1.1624   5.2307   0.1057   6.2895   3.5323   9.4194   40.563   17.674   52.736   22.268 -12.17303 28.42985 
1 1 1    6    2   65 o   75.754   17.541   17.062   7.1669   17.790   9.7451   16.204   10.577   77.539   24.229   73.968   25.371 3.571152 35.08150 
1 1 1    6    2   66 o   76.673   15.408   16.138   5.7982   11.027   7.3178   24.760   9.5038   62.180   21.104   91.166   22.454 -28.98693 30.81515 
1 1 1    6    2   67 o   69.163   16.728   13.906   6.6365   9.7714   9.0282   18.767   9.7886   60.363   23.028   77.962   24.270 -17.59959 33.45629 
1 1 1    6    2   68 o   47.350   14.220   3.8059   5.5511   6.1108   6.7740  -0.9063   9.6856   49.889   19.690   44.811   20.521 5.077969 28.43945 
1 1 1    6    2   69 o   38.367   13.079  -6.4579   5.8773  -7.5370   6.8278  -3.3710   11.548   31.720   15.311   45.014   21.208 -13.29395 26.15712 
1 1 1    6    2   70 o   46.306   15.033   1.1848   6.3488   0.7025   7.2060   2.8581   13.421   40.964   18.328   51.648   23.835 -10.68310 30.06697 
1 1 1    6    2   71 o   67.102   27.526   20.442   13.802   0.0000   0.0000   20.442   13.802  ?   ?    67.102   27.526      ?      ? 
1 1 1    6    3    0 f  671.278   25.357  1081.26  111.768  1081.26  111.768  1081.26  111.768  671.278   35.860  671.278   35.860 -0.000000 0.000000 
1 1 1    6    3    1 o  145.982   6.9937   49.962   4.7680   52.135   6.7421   47.789   6.7438  149.167   9.6711  142.797   10.105 6.370346 13.98733 
1 1 1    6    3    2 o  172.639   9.0223   69.900   6.8641   70.188   11.892   69.756   8.4058  172.772   14.728  172.506   10.426 0.2652740 18.04469 
1 1 1    6    3    3 o  659.513   29.826  1043.50   87.445  1149.98  151.468  990.263  107.095  679.714   47.682  639.313   35.844 40.40118 59.65173 
1 1 1    6    3    4 o  424.795   23.268  434.653   46.193  438.410   65.328  430.897   65.326  426.687   32.760  422.902   33.052 3.784515 46.53693 
1 1 1    6    3    5 o  636.087   32.906  1004.57   97.563  924.973  137.971  1084.18  137.979  609.310   48.452  662.864   44.540 -53.55396 65.81281 
1 1 1    6    3    6 o  399.850   22.091  383.691   41.280  381.558   58.381  385.823   58.377  398.708   31.331  400.991   31.151 -2.283264 44.18146 
1 1 1    6    3    7 o  484.198   26.243  569.193   59.184  517.076   83.701  621.305   83.698  461.168   38.835  507.228   35.308 -46.06076 52.48631 
1 1 1    6    3    8 o  117.428   8.8838   32.394   4.8681   30.444   6.8986   34.328   6.8706  113.889   12.961  120.967   12.153 -7.078857 17.76753 
1 1 1    6    3    9 o  214.526   12.738  108.495   12.769  110.391   18.060  106.599   18.057  216.417   17.856  212.635   18.170 3.781845 25.47569 
1 1 1    6    3   10 o  545.232   38.489  754.152   91.971  752.416  159.309  755.020  112.637  537.015   63.476  553.450   43.547 -16.43457 76.97784 
1 1 1    6    3   11 o  149.008   13.953   57.073   8.4665   43.568   14.658   63.835   10.372  133.236   24.441  164.781   13.468 -31.54427 27.90598 
1 1 1    6    3   12 o  341.577   23.800  284.664   35.650  279.729   61.754  287.131   43.660  337.014   39.208  346.139   26.989 -9.124573 47.59949 
1 1 1    6    3   13 o  136.905   8.5126   43.758   5.3401   42.798   6.8690   45.225   8.4900  135.076   10.881  138.735   13.094 -3.659424 17.02524 
1 1 1    6    3   14 o  171.690   9.2837   66.992   7.3287   55.836   9.4288   84.018   11.648  154.215   13.082  189.166   13.176 -34.95087 18.56748 
1 1 1    6    3   15 o  406.087   21.885  396.261   41.301  349.017   58.397  443.544   58.421  381.185   32.780  430.988   29.004 -49.80316 43.76944 
1 1 1    6    3   16 o  323.132   15.405  242.999   22.927  224.849   29.582  270.303   36.282  308.494   20.518  337.770   22.984 -29.27606 30.81034 
1 1 1    6    3   17 o  352.677   18.288  302.597   29.047  329.015   37.497  262.955   45.933  373.245   21.496  332.110   29.594 41.13513 36.57695 
1 1 1    6    3   18 o  347.044   17.975  283.110   28.632  276.283   36.947  293.372   45.299  342.190   23.103  351.899   27.544 -9.709229 35.95074 
1 1 1    6    3   19 f  142.115   8.6990   46.646   5.6879   43.807   7.3310   50.939   9.0158  136.781   11.468  147.449   13.083 -10.66867 17.39809 
1 1 1    6    3   20 o  599.554   27.386  845.957   75.590  792.916   97.573  925.571  119.543  577.176   36.173  621.932   41.128 -44.75562 54.77196 
1 1 1    6    3   21 o  309.009   15.057  224.153   21.318  222.705   27.516  226.326   33.715  307.948   19.119  310.071   23.266 -2.123260 30.11370 
1 1 1    6    3   22 o  452.749   23.778  486.813   50.246  458.229   71.060  515.395   71.057  439.240   34.616  466.257   32.609 -27.01736 47.55669 
1 1 1    6    3   23 f  825.641   38.097  1628.53  144.918  1498.16  187.074  1824.17  229.162  786.753   50.878  864.530   56.718 -77.77643 76.19383 
1 1 1    6    3   24 o  419.371   20.002  423.271   37.972  451.240   49.021  381.315   60.040  437.672   23.966  401.071   32.031 36.60040 40.00471 
1 1 1    6    3   25 o  621.836   42.591  955.503  116.002  935.216  200.887  965.651  142.085  611.259   70.321  632.414   48.073 -21.15448 85.18257 
1 1 1    6    3   26 o  415.109   32.780  415.378   63.541  396.839   89.925  433.865   89.796  405.557   47.445  424.660   45.245 -19.10382 65.56017 
1 1 1    6    3   27 o  513.959   37.153  629.828   89.240  629.828   89.240   0.0000   0.0000  513.959   37.153  ?   ?       ?      ? 
1 1 1    6    3   28 o  397.168   29.804  374.348   55.321  374.348   55.321   0.0000   0.0000  397.168   29.804  ?   ?       ?      ? 
1 1 1    6    3   29 o  450.767   28.972  487.363   57.643  479.795   70.575  502.527   99.904  447.963   33.711  453.572   47.130 -5.608368 57.94487 
1 1 1    6    3   30 o  509.949   27.266  627.294   64.846  581.821   91.697  672.787   91.716  490.866   39.971  529.031   37.096 -38.16553 54.53237 
1 1 1    6    3   31 o  402.999   25.844  403.589   41.259  416.272   47.660  365.659   82.422  419.305   24.321  386.692   45.608 32.61337 51.68701 
1 1 1    6    3   32 o  281.747   14.355  186.765   18.551  184.617   23.972  189.970   29.288  279.983   18.320  283.511   22.104 -3.527649 28.70961 
1 1 1    6    3   33 o  567.732   29.027  794.894   74.718  836.789   96.465  732.064  118.131  589.736   35.000  545.728   46.318 44.00732 58.05444 
1 1 1    6    3   34 o  384.324   21.102  366.353   36.186  409.787   46.703  301.110   57.239  415.475   24.052  353.174   34.679 62.30045 42.20340 
1 1 1    6    3   35 o  272.540   13.532  170.449   16.989  145.587   21.922  207.834   26.882  248.385   18.884  296.694   19.387 -48.30887 27.06409 
1 1 1    6    3   36 o  511.056   26.988  651.213   62.238  698.726   80.360  579.991   98.388  538.197   31.949  483.915   43.504 54.28207 53.97519 
1 1 1    6    3   37 o  316.677   19.936  231.207   26.034  219.179   30.058  267.320   52.084  303.283   21.207  330.070   33.764 -26.78729 39.87132 
1 1 1    6    3   38 o  168.827   12.386   67.592   9.7723   66.824   13.821   68.360   13.819  167.854   17.619  169.801   17.414 -1.947556 24.77220 
1 1 1    6    3   39 o  306.315   17.149  227.031   24.299  190.492   34.332  263.703   34.395  280.753   26.166  331.877   22.176 -51.12460 34.29891 
1 1 1    6    3   40 o   86.116   12.984   18.298   5.2021   11.994   7.3620   24.585   7.3519   70.304   20.884  101.929   15.433 -31.62444 25.96776 
1 1 1    6    3   41 o  222.335   13.721  118.153   14.243  124.046   20.146  112.265   20.139  228.003   18.906  216.667   19.889 11.33611 27.44131 
1 1 1    6    3   42 o  270.678   19.921  187.313   21.156  167.051   42.401  194.030   24.412  256.496   35.372  284.860   18.337 -28.36392 39.84227 
1 1 1    6    3   43 o  261.082   18.715  163.555   21.680  182.307   37.785  154.353   26.470  270.058   29.938  252.107   22.466 17.95018 37.42997 
1 1 1    6    3   44 o  167.244   19.653   70.201   14.948   69.962   20.151   70.493   22.288  168.669   25.564  165.820   29.859 2.849075 39.30688 
1 1 1    6    3   45 o  249.421   15.133  151.465   17.575  136.329   24.753  166.851   24.957  236.370   22.408  262.472   20.346 -26.10162 30.26632 
1 1 1    6    3   46 o  239.455   18.757  150.164   19.101  122.191   32.811  164.504   23.493  218.160   32.181  260.750   19.278 -42.58974 37.51389 
1 1 1    6    3   47 o   92.827   14.003   22.074   5.4222   19.604   10.297   23.022   6.3781   87.421   24.318   98.232   13.893 -10.81115 28.00676 
1 1 1    6    3   48 o  181.872   15.913   83.271   12.398   78.851   22.097   85.303   14.978  176.027   26.860  187.716   17.073 -11.68875 31.82677 
1 1 1    6    3   49 o  153.762   9.6464   56.635   6.9064   51.866   9.8608   61.227   9.6760  147.217   14.332  160.307   12.915 -13.09004 19.29286 
1 1 1    6    3   50 f  178.095   11.053   74.845   9.0950   87.254   14.231   66.278   11.825  190.187   16.011  166.002   15.242 24.18498 22.10600 
1 1 1    6    3   51 o  136.811   10.730   44.621   6.7797   49.068   10.600   41.542   8.8196  142.271   15.942  131.352   14.367 10.91925 21.46058 
1 1 1    6    3   52 o   80.175   14.064   15.603   5.4818   8.5939   7.2284   25.091   8.4098   60.729   20.965   99.620   18.751 -38.89092 28.12749 
1 1 1    6    3   53 o   72.388   15.667   14.124   5.6523   16.282   6.4160   6.6462   11.945   80.216   17.598   64.559   25.925 15.65651 31.33395 
1 1 1    6    3   54 o  104.047   15.650   26.075   6.4130   24.809   7.2623   30.559   13.666  101.325   15.336  106.770   27.286 -5.444954 31.30012 
1 1 1    6    3   55 o  168.377   15.373   69.635   11.325   66.263   13.672   77.007   20.215  164.078   17.829  172.676   25.049 -8.598373 30.74621 
1 1 1    6    3   56 o   65.925   15.671   10.722   5.7402   12.167   7.5908   8.7918   8.7724   69.075   21.351   62.775   22.945 6.300011 31.34241 
1 1 1    6    3   57 o   90.713   15.010   20.585   6.2649   14.824   8.1077   29.122   9.8699   75.345   21.789  106.080   20.651 -30.73473 30.02052 
1 1 1    6    3   58 o  128.093   18.251   45.404   10.116   40.564   17.311   47.914   12.465  118.267   30.957  137.919   19.339 -19.65234 36.50139 
1 1 1    6    3   59 o   56.140   17.791  -3.2521   9.7576   3.2072   14.302  -8.8762   13.346   62.502   26.943   49.778   23.243 12.72344 35.58282 
1 1 1    6    3   60 o   63.311   17.069   9.0691   6.9320   11.149   8.2805   4.1963   12.673   66.042   22.450   60.580   25.719 5.461670 34.13851 
1 1 1    6    3   61 o   72.833   17.492   12.974   6.2821   11.709   7.1571   17.217   13.112   66.628   20.755   79.039   28.161 -12.41090 34.98318 
1 1 1    6    3   62 o   50.803   15.163   2.5974   6.2370   6.1987   7.2458  -7.7026   12.254   54.036   20.626   47.569   22.231 6.466797 30.32621 
1 1 1    6    3   63 o   85.755   15.779   21.877   6.5193   25.754   8.1995   15.215   10.749   98.326   18.523   73.185   25.549 25.14182 31.55701 
1 1 1    6    3   64 o   91.975   16.690   24.103   7.1884   22.568   9.7120   25.962   10.690   89.006   23.135   94.944   24.061 -5.937477 33.37909 
1 1 1    6    3   65 o   38.392   17.454  -2.3258   6.8436  -2.3258   6.8436   0.0000   0.0000   38.392   17.454  ?   ?       ?      ? 
1 1 1    6    3   66 o   53.348   15.892   5.3037   6.1748   5.7165   7.1076   4.0334   12.469   50.870   20.140   55.826   24.589 -4.956062 31.78401 
1 1 1    6    3   67 o   45.689   14.399  -0.0988   6.2989   2.7943   8.8677  -3.0452   8.9490   48.998   21.168   42.380   19.524 6.618305 28.79738 
1 1 1    6    3   68 o   70.499   18.945   16.376   8.1112   13.120   9.7719   23.588   14.544   63.830   24.051   77.168   29.279 -13.33792 37.89059 
1 1 1    6    3   69 o   51.723   15.302   0.3361   5.5204  -4.9522   6.2489   19.132   11.781   32.312   15.336   71.133   26.485 -38.82044 30.60468 
1 1 1    6    3   70 o   51.308   15.079   6.2781   5.9423   3.5348   7.8326   9.9981   9.1210   45.843   19.850   56.774   22.705 -10.93048 30.15853 
1 1 1    6    3   71 o   40.573   13.402  -2.4702   6.3800   2.8040   9.1813  -7.3952   8.8721   45.341   20.453   35.805   17.324 9.536095 26.80359 
1 1 1    6    4    0 o  541.871   46.046  753.127  158.602  753.127  158.602  753.127  158.602  541.871   65.118  541.871   65.118 -0.000000 0.000000 
1 1 1    6    4    1 o  354.730   24.866  304.914   38.749  306.346   47.468  302.055   67.085  358.058   28.367  351.402   40.849 6.655792 49.73235 
1 1 1    6    4    2 o  137.907   11.569   44.568   7.0549   44.144   8.6553   45.408   12.178  137.096   13.509  138.718   18.784 -1.621719 23.13728 
1 1 1    6    4    3 o  530.996   35.448  681.888   83.965  631.360  102.839  782.924  145.422  506.757   43.423  555.234   56.042 -48.47720 70.89574 
1 1 1    6    4    4 o  347.230   22.790  299.966   31.295  310.152   36.145  269.468   62.544  362.090   21.360  332.370   40.265 29.71954 45.57926 
1 1 1    6    4    5 o  318.272   20.505  242.035   26.350  242.070   30.433  241.930   52.662  320.093   20.344  316.452   35.608 3.641815 41.00978 
1 1 1    6    4    6 o  258.240   17.139  160.850   17.736  163.433   20.488  153.124   35.434  263.495   16.637  252.985   29.969 10.50975 34.27768 
1 1 1    6    4    7 o  603.560   33.173  904.503   93.004  795.922  131.519  1013.11  131.537  565.064   49.802  642.057   43.836 -76.99310 66.34637 
1 1 1    6    4    8 o  320.872   17.748  244.904   26.602  236.133   37.621  253.675   37.620  315.023   25.553  326.721   24.637 -11.69751 35.49599 
1 1 1    6    4    9 o   78.032   10.198   14.758   3.3981   15.071   4.1450   14.118   5.9341   80.158   11.064   75.906   17.134 4.252441 20.39609 
1 1 1    6    4   10 o  224.160   19.034  120.655   19.855  133.316   28.091  108.016   28.066  236.233   25.444  212.088   28.316 24.14526 38.06803 
1 1 1    6    4   11 o  252.820   16.499  144.120   18.711  181.546   32.469  125.512   22.894  275.695   25.200  229.946   21.304 45.74919 32.99818 
1 1 1    6    4   12 o  313.415   22.450  243.950   30.392  216.873   52.650  257.480   37.218  297.941   37.812  328.889   24.214 -30.94788 44.90042 
1 1 1    6    4   13 o  195.282   12.361   93.343   10.765  104.961   13.894   75.896   17.027  211.361   14.066  179.202   20.331 32.15988 24.72268 
1 1 1    6    4   14 o  195.614   11.923   90.126   10.892   86.108   15.412   94.135   15.394  191.223   17.246  200.005   16.469 -8.781754 23.84630 
1 1 1    6    4   15 o  202.097   12.179   96.204   11.500   93.487   16.255   98.926   16.271  199.218   17.459  204.976   16.985 -5.757813 24.35826 
1 1 1    6    4   16 o  223.130   11.590  117.376   11.820  118.489   15.245  115.698   18.715  224.613   14.523  221.646   18.067 2.966583 23.18030 
1 1 1    6    4   17 o  294.379   16.618  205.400   22.730  230.774   32.161  180.077   32.130  312.802   22.000  275.955   24.913 36.84668 33.23623 
1 1 1    6    4   18 f  589.212   31.880  839.068   87.541  909.637  123.812  768.525  123.790  614.833   43.089  563.592   46.998 51.24133 63.76076 
1 1 1    6    4   19 o  331.364   18.395  259.440   28.427  278.855   40.216  240.053   40.187  343.891   25.023  318.838   26.969 25.05283 36.78956 
1 1 1    6    4   20 o  188.491   11.716   83.402   10.307   88.538   14.594   78.290   14.559  194.307   16.071  182.675   17.053 11.63187 23.43295 
1 1 1    6    4   21 f  178.705   10.111   75.355   8.2479   77.400   10.663   72.309   13.014  181.802   12.550  175.608   15.857 6.193146 20.22201 
1 1 1    6    4   22 o  717.498   33.712  1251.85  110.085  1295.48  142.119  1186.40  174.062  735.980   41.318  699.016   53.281 36.96448 67.42466 
1 1 1    6    4   23 f  338.855   21.170  259.370   32.120  314.657   55.772  231.932   39.290  364.235   32.764  313.476   26.819 50.75967 42.34034 
1 1 1    6    4   24 o  563.649   35.280  734.537   89.099  656.560  109.117  890.543  154.341  522.686   44.669  604.613   54.621 -81.92700 70.56063 
1 1 1    6    4   25 o  356.032   24.431  303.457   38.091  295.007   66.150  307.648   46.590  351.208   40.302  360.857   27.626 -9.649719 48.86109 
1 1 1    6    4   26 o  451.455   49.971  493.406  105.434  493.406  105.434   0.0000   0.0000  451.455   49.971  ?   ?       ?      ? 
1 1 1    6    4   27 o  315.034   35.755  236.564   52.643  236.564   52.643   0.0000   0.0000  315.034   35.755  ?   ?       ?      ? 
1 1 1    6    4   28 o  142.031   20.273   47.513   13.457   47.513   13.457   0.0000   0.0000  142.031   20.273  ?   ?       ?      ? 
1 1 1    6    4   29 o  300.651   20.787  213.823   27.548  218.514   47.842  211.496   33.694  302.242   33.870  299.059   24.108 3.182617 41.57318 
1 1 1    6    4   30 o  296.044   15.583  211.246   20.860  227.101   26.965  187.615   32.920  310.607   18.576  281.480   25.025 29.12726 31.16541 
1 1 1    6    4   31 o  359.352   19.569  307.078   32.864  309.735   46.471  304.420   46.484  360.936   27.549  357.769   27.801 3.166656 39.13847 
1 1 1    6    4   32 o  405.716   20.872  396.400   38.534  411.378   49.749  373.938   60.923  416.406   25.564  395.026   33.000 21.37933 41.74339 
1 1 1    6    4   33 o  159.784   11.946   60.093   8.9204   60.460   12.609   59.726   12.622  160.277   16.833  159.292   16.955 0.9848480 23.89148 
1 1 1    6    4   34 o  193.344   18.375   89.035   16.580   88.530   24.052   89.492   22.887  192.720   26.704  193.967   25.248 -1.246704 36.74990 
1 1 1    6    4   35 o  364.719   20.167  317.921   34.373  314.015   48.640  321.817   48.583  362.425   28.716  367.012   28.324 -4.586914 40.33463 
1 1 1    6    4   36 o  379.490   19.804  349.974   34.168  364.682   44.127  327.952   53.997  390.910   24.154  368.069   31.390 22.84128 39.60746 
1 1 1    6    4   37 o  197.052   15.242   92.935   12.200   93.199   14.142   92.167   24.120  198.642   15.233  195.461   26.404 3.181656 30.48362 
1 1 1    6    4   38 o   57.367   13.532   6.5426   4.4298   11.323   6.7404   2.9083   5.8772   68.272   19.903   46.462   18.339 21.80980 27.06370 
1 1 1    6    4   39 o  127.798   14.796   40.692   8.1684   43.525   10.300   35.891   13.409  135.570   16.257  120.026   24.728 15.54313 29.59286 
1 1 1    6    4   40 o  498.448   34.311  641.489   68.929  628.250   79.610  681.140  137.769  502.976   33.867  493.921   59.683 9.054382 68.62261 
1 1 1    6    4   41 o  317.809   16.452  244.098   23.942  244.834   30.974  243.005   37.737  319.461   20.746  316.157   25.540 3.304321 32.90437 
1 1 1    6    4   42 o  334.880   29.461  295.334   46.092  287.606   65.250  303.030   65.118  329.909   42.320  339.851   40.999 -9.941528 58.92216 
1 1 1    6    4   43 o  143.352   17.663   51.153   11.505   50.036   17.076   52.081   15.569  140.350   27.014  146.354   22.763 -6.004028 35.32536 
1 1 1    6    4   45 f  296.123   24.805  216.281   34.328  216.281   34.328   0.0000   0.0000  296.123   24.805  ?   ?       ?      ? 
1 1 1    6    4   46 o  232.832   13.632  133.741   14.287  141.866   18.294  121.038   22.874  243.315   16.088  222.350   22.013 20.96542 27.26495 
1 1 1    6    4   47 o  133.021   10.995   41.063   6.6478   36.796   8.3191   48.601   11.058  124.044   14.350  141.997   16.662 -17.95254 21.99007 
1 1 1    6    4   48 o  178.696   12.381   77.172   10.273   65.944   14.106   89.856   14.992  164.585   18.338  192.807   16.638 -28.22192 24.76121 
1 1 1    6    4   49 f   81.158   13.963   15.770   5.5269   8.0377   7.3084   26.100   8.4470   60.004   21.060  102.313   18.339 -42.30913 27.92599 
1 1 1    6    4   50 o  250.427   15.132  155.581   17.609  135.974   24.656  175.995   25.158  233.480   22.596  267.374   20.133 -33.89365 30.26398 
1 1 1    6    4   51 o   76.575   12.048   11.478   4.7923   2.1179   5.9521   28.728   8.0803   44.324   18.117  108.826   15.887 -64.50227 24.09594 
1 1 1    6    4   52 o  169.526   14.900   70.179   10.232   68.765   11.806   74.446   20.507  168.760   14.969  170.293   25.767 -1.532867 29.79976 
1 1 1    6    4   53 o  185.117   18.139  100.142   11.983  111.823   13.924   66.782   23.531  215.717   13.811  154.518   33.547 61.19846 36.27869 
1 1 1    6    4   54 o  119.115   15.271   37.185   7.1864   38.591   8.3814   33.281   13.965  126.678   14.157  111.552   27.063 15.12608 30.54180 
1 1 1    6    4   55 o   60.433   13.733   4.8200   4.8381  -1.4336   5.8686   18.087   8.5477   37.832   16.756   83.034   21.763 -45.20177 27.46578 
1 1 1    6    4   56 o   80.516   14.772   17.644   6.0036   24.202   7.8989   8.6731   9.2385   97.802   17.942   63.229   23.471 34.57347 29.54371 
1 1 1    6    4   57 o   77.203   15.718   15.271   6.0248   11.734   8.0390   19.802   9.1001   67.997   22.095   86.408   22.362 -18.41087 31.43622 
1 1 1    6    4   58 o   87.579   23.155   20.665   9.6220   0.0000   0.0000   20.665   9.6220  ?   ?    87.579   23.155      ?      ? 
1 1 1    6    4   59 o  117.225   29.660   39.775   16.262   0.0000   0.0000   39.775   16.262  ?   ?   117.225   29.660      ?      ? 
1 1 1    6    4   60 o   85.235   16.302   13.953   6.2020   7.5886   7.0498   35.744   13.045   57.065   20.613  113.405   25.261 -56.33996 32.60381 
1 1 1    6    4   61 o   66.496   15.917   11.471   5.8342   11.382   7.6252   11.598   9.0609   65.908   21.523   67.083   23.455 -1.175117 31.83386 
1 1 1    6    4   62 o   48.019   13.983   1.0578   5.7453   7.7177   7.3460  -9.4324   9.2196   57.202   20.984   38.836   18.488 18.36625 27.96647 
1 1 1    6    4   63 o   57.673   15.217   8.0534   5.4904   9.1582   6.9636   6.2383   8.9258   59.429   20.574   55.917   22.426 3.512234 30.43408 
1 1 1    6    4   64 o   86.450   16.386   21.287   6.8177   17.560   9.4358   25.358   9.8618   78.164   23.740   94.735   22.592 -16.57129 32.77142 
1 1 1    6    4   65 o   68.602   15.546   11.627   5.6528   6.6308   6.9670   21.253   9.6705   52.977   20.225   84.226   23.615 -31.24981 31.09161 
1 1 1    6    4   66 o   52.623   15.449   5.2402   6.2161   6.1065   8.0528   3.9630   9.7780   52.991   21.284   52.256   22.397 0.7347641 30.89738 
1 1 1    6    4   67 o   60.257   17.524   7.2323   7.3231   3.2236   8.6819   17.118   13.634   48.865   21.028   71.650   28.039 -22.78551 35.04827 
1 1 1    6    4   68 o   45.626   13.786   1.8453   5.9798   7.7066   6.6473 -23.0203   13.691   52.841   19.851   38.411   19.135 14.42962 27.57222 
1 1 1    6    4   69 o   51.372   15.689   2.5978   6.7258   14.713   11.603  -3.5325   8.2538   64.103   25.619   38.640   18.118 25.46291 31.37817 
1 1 1    6    4   70 o   55.204   15.655   8.8741   6.0872   6.7511   7.9641   11.857   9.4403   50.756   20.875   59.651   23.335 -8.894169 31.30947 
1 1 1    6    4   71 o   44.309   19.872   2.7769   8.5271   0.0000   0.0000   2.7769   8.5271  ?   ?    44.309   19.872      ?      ? 
1 1 1    6    5    1 o  474.106   28.133  531.713   59.433  497.725   72.777  599.762  102.979  454.485   34.263  493.727   44.629 -39.24197 56.26507 
1 1 1    6    5    2 o  426.679   35.039  439.305   69.872  439.305   69.872   0.0000   0.0000  426.679   35.039  ?   ?       ?      ? 
1 1 1    6    5    3 o  464.405   32.064  517.803   69.592  517.803   69.592   0.0000   0.0000  464.405   32.064  ?   ?       ?      ? 
1 1 1    6    5    4 o  354.816   26.623  314.392   40.786  331.673   49.948  279.810   70.657  372.630   28.681  337.002   44.862 35.62808 53.24690 
1 1 1    6    5    5 o   55.490   9.7539   7.8929   2.5285   9.2742   3.0685   4.9705   4.4630   62.904   10.438   48.077   16.481 14.82767 19.50788 
1 1 1    6    5    6 o  272.950   19.040  174.683   23.052  168.350   28.219  187.387   39.968  266.453   22.661  279.446   30.603 -12.99350 38.08021 
1 1 1    6    5    7 f  220.696   13.259  115.131   13.665  120.335   19.322  109.924   19.327  225.743   18.315  215.649   19.177 10.09402 26.51777 
1 1 1    6    5    8 o  379.491   20.652  346.816   36.552  321.768   51.679  371.891   51.706  365.363   30.265  393.618   28.108 -28.25534 41.30421 
1 1 1    6    5    9 o  262.233   14.962  163.219   18.336  161.597   25.925  164.842   25.938  260.910   21.261  263.556   21.058 -2.645996 29.92438 
1 1 1    6    5   10 o  219.313   15.838  114.007   15.307  115.016   26.516  113.503   18.745  219.444   25.855  219.182   18.300 0.2616119 31.67550 
1 1 1    6    5   11 o  392.441   31.548  381.399   57.692  413.296   81.603  349.524   81.573  409.822   42.606  375.059   46.538 34.76273 63.09520 
1 1 1    6    5   12 o  109.453   13.314   31.761   5.4395   34.403   6.2556   23.570   11.014  121.139   11.049   97.766   24.228 23.37272 26.62861 
1 1 1    6    5   13 o  139.969   9.3660   45.991   6.1264   45.615   8.6852   46.364   8.6430  139.395   13.332  140.542   13.159 -1.147644 18.73208 
1 1 1    6    5   14 o  394.660   21.913  373.252   40.393  387.594   57.135  358.920   57.115  402.432   30.379  386.889   31.588 15.54282 43.82516 
1 1 1    6    5   15 o  333.151   16.374  260.823   25.049  253.377   32.328  272.009   39.623  327.588   21.116  338.713   25.031 -11.12466 32.74785 
1 1 1    6    5   16 o  440.530   23.316  463.144   47.951  487.830   67.822  438.473   67.803  452.515   32.070  428.544   33.854 23.97119 46.63222 
1 1 1    6    5   17 o  336.195   17.638  266.403   27.162  265.010   35.056  268.496   42.963  335.422   22.363  336.967   27.281 -1.545135 35.27585 
1 1 1    6    5   18 o  227.469   11.946  119.876   12.502  113.255   16.124  129.854   19.796  219.759   15.700  235.180   18.011 -15.42090 23.89295 
1 1 1    6    5   19 o  221.313   13.155  115.007   13.605  113.324   19.249  116.687   19.231  219.687   18.748  222.939   18.457 -3.252106 26.30911 
1 1 1    6    5   20 o  809.398   58.422  1721.80  202.897  1523.56  351.399  1820.95  248.508  758.175   99.172  860.622   61.785 -102.4462 116.8437 
1 1 1    6    5   21 o  314.205   17.181  232.715   25.206  221.520   35.675  243.875   35.619  306.591   24.898  321.819   23.682 -15.22751 34.36208 
1 1 1    6    5   22 o  521.701   27.969  651.686   67.876  580.606   95.989  722.770   95.992  492.547   41.700  550.854   37.287 -58.30765 55.93898 
1 1 1    6    5   23 o  369.672   20.574  323.174   35.543  319.487   50.250  326.867   50.282  367.538   29.254  371.806   28.937 -4.268768 41.14791 
1 1 1    6    5   24 o  198.893   12.109   92.799   11.247   87.863   15.751   97.933   16.064  193.484   17.419  204.302   16.824 -10.81723 24.21767 
1 1 1    6    5   25 f  452.754   28.708  476.325   57.968  445.763   71.011  537.369  100.359  432.939   35.096  472.569   45.441 -39.62985 57.41631 
1 1 1    6    5   26 f  534.777   59.547  703.755  148.825  703.755  148.825   0.0000   0.0000  534.777   59.547  ?   ?       ?      ? 
1 1 1    6    5   27 o  595.263   67.763  896.628  188.514  896.628  188.514   0.0000   0.0000  595.263   67.763  ?   ?       ?      ? 
1 1 1    6    5   28 o  413.935   28.486  412.863   51.898  411.205   63.544  416.185   89.942  414.946   32.767  412.923   46.607 2.022797 56.97285 
1 1 1    6    5   29 o  104.376   14.390   26.052   6.4416   25.824   7.8069   26.536   11.402  104.847   15.932  103.904   23.968 0.9430008 28.78070 
1 1 1    6    5   30 o  145.690   14.381   52.969   7.9720   55.041   9.1926   46.684   16.010  153.193   12.840  138.187   25.738 15.00577 28.76256 
1 1 1    6    5   31 o  259.987   18.526  158.235   21.381  153.471   26.224  167.680   36.925  254.835   22.019  265.138   29.799 -10.30269 37.05184 
1 1 1    6    5   32 o  245.927   15.669  135.092   15.927  126.822   18.361  160.229   32.011  232.165   16.922  259.688   26.376 -27.52271 31.33782 
1 1 1    6    5   33 o  192.992   14.874   89.490   11.441   90.840   13.176   85.354   23.067  196.614   14.340  189.370   26.064 7.243851 29.74844 
1 1 1    6    5   34 o  658.520   50.722  1236.10  125.679  1320.53  145.126  982.886  251.338  733.706   42.323  583.333   92.193 150.3726 101.4438 
1 1 1    6    5   35 o  321.518   19.135  231.559   25.545  214.966   29.482  281.535   51.165  301.281   20.938  341.756   32.034 -40.47461 38.26997 
1 1 1    6    5   36 o  220.958   17.982  128.031   15.139  138.046   17.463   97.744   30.369  241.831   15.451  200.085   32.476 41.74580 35.96479 
1 1 1    6    5   37 o   62.178   14.160   8.3493   4.2351   7.5970   4.9118   10.530   8.3617   56.450   17.124   67.907   22.557 -11.45638 28.32033 
1 1 1    6    5   38 o  266.927   20.061  176.494   23.263  183.095   28.485  163.276   40.312  276.603   22.035  257.250   33.530 19.35284 40.12242 
1 1 1    6    5   39 o  114.188   15.568   37.705   6.7910   43.173   7.8357   21.205   13.612  135.382   12.384   92.994   28.566 42.38792 31.13543 
1 1 1    6    5   40 o  247.512   18.897  157.362   18.260  165.624   21.111  132.820   36.382  264.022   17.109  231.004   33.700 33.01787 37.79393 
1 1 1    6    5   41 o  100.012   14.103   22.419   5.8446   19.252   6.8360   31.025   11.268   88.474   17.152  111.550   22.393 -23.07610 28.20698 
1 1 1    6    5   42 o  409.952   38.441  482.040   73.323  439.533  103.726  524.494  103.662  387.751   57.239  432.152   51.327 -44.40125 76.88107 
1 1 1    6    5   44 o  138.130   22.900   46.590   14.783   46.590   14.783   0.0000   0.0000  138.130   22.900  ?   ?       ?      ? 
1 1 1    6    5   45 o  242.797   17.685  141.747   20.068  141.747   20.068   0.0000   0.0000  242.797   17.685  ?   ?       ?      ? 
1 1 1    6    5   46 o  274.253   27.489  234.221   28.065  288.411   34.507  128.331   48.237  343.161   21.516  205.345   50.592 137.8157 54.97774 
1 1 1    6    5   47 o  139.931   12.833   44.093   7.5856   39.921   8.8208   55.941   14.864  129.075   14.622  150.787   21.093 -21.71184 25.66549 
1 1 1    6    5   48 o   63.118   13.620   10.649   4.7392   14.093   5.4521  -0.0007   9.5862   75.159   16.012   51.077   22.038 24.08172 27.24038 
1 1 1    6    5   49 o  120.543   15.891   34.134   7.0618   32.489   7.8562   41.060   16.116  116.473   14.433  124.612   28.316 -8.139488 31.78193 
1 1 1    6    5   50 o  199.040   12.672   97.038   11.449   98.197   14.628   95.205   18.394  201.643   15.523  196.437   20.035 5.205826 25.34500 
1 1 1    6    5   51 o   50.295   19.603   4.2530   6.6438   4.2530   6.6438   0.0000   0.0000   50.295   19.603  ?   ?       ?      ? 
1 1 1    6    5   52 o  140.958   12.335   42.282   7.5284   32.676   8.8426   67.587   14.352  115.994   16.312  165.921   18.509 -49.92719 24.67070 
1 1 1    6    5   53 o   89.714   16.362   19.493   6.6557   15.673   8.1534   27.123   11.523   77.969   21.621  101.458   24.563 -23.48895 32.72357 
1 1 1    6    5   54 o  159.456   13.272   63.254   9.4734   42.428   13.088   86.176   13.730  130.289   21.494  188.622   15.575 -58.33325 26.54392 
1 1 1    6    5   55 o   64.945   17.006   6.9983   6.2687   3.7243   7.2927   16.263   12.268   50.473   20.261   79.417   27.319 -28.94427 34.01208 
1 1 1    6    5   56 o   86.998   19.351   20.336   8.7193   21.290   11.227   18.887   13.842   89.125   25.601   84.871   29.025 4.254211 38.70189 
1 1 1    6    5   57 o  125.077   20.573   44.795   11.876   51.846   16.094   36.369   17.595  138.541   25.807  111.613   32.047 26.92851 41.14590 
1 1 1    6    5   58 o   50.832   21.033   3.0186   8.1512   0.0000   0.0000   3.0186   8.1512  ?   ?    50.832   21.033      ?      ? 
1 1 1    6    5   59 o   88.803   19.219   22.097   8.5200   22.211   10.559   21.884   14.423   89.791   24.487   87.815   29.629 1.976616 38.43824 
1 1 1    6    5   60 o   91.625   16.953   25.542   7.9084   31.453   9.4234   11.462   14.544  111.498   18.084   71.753   28.680 39.74440 33.90541 
1 1 1    6    5   61 o   86.836   13.333   21.942   6.0268   34.856   7.9593   4.5871   9.2267  118.892   14.325   54.780   22.492 64.11161 26.66624 
1 1 1    6    5   62 o   77.188   15.346   16.516   5.7400   16.935   7.5608   15.946   8.8187   78.801   20.378   75.575   22.950 3.226204 30.69157 
1 1 1    6    5   63 f   40.483   12.762  -1.9428   4.8947  -4.6234   6.4509   1.6946   7.5145   34.854   16.236   46.113   19.696 -11.25859 25.52492 
1 1 1    6    5   64 o  119.081   14.179   41.476   7.0298   51.254   9.0322   26.452   11.196  143.538   13.464   94.624   24.958 48.91463 28.35815 
1 1 1    6    5   65 o   64.032   16.072   11.764   6.9666  -1.6375   12.668   17.573   8.3411   50.985   23.393   77.078   22.045 -26.09325 32.14335 
1 1 1    6    5   66 o   38.596   12.913  -4.7699   5.5173  -2.1319   6.2234 -14.4555   11.925   36.556   16.629   40.635   19.759 -4.078983 25.82521 
1 1 1    6    5   67 o   58.442   22.008   9.7338   8.1798   9.7338   8.1798   0.0000   0.0000   58.442   22.008  ?   ?       ?      ? 
1 1 1    6    5   68 o   60.034   20.155   10.921   6.6733   10.921   6.6733   0.0000   0.0000   60.034   20.155  ?   ?       ?      ? 
1 1 1    6    5   69 o   62.760   16.023   13.472   6.0337   14.766   6.8422   8.9465   12.795   68.630   20.065   56.890   24.987 11.73979 32.04626 
1 1 1    6    5   70 o   45.701   13.446   2.9599   5.0570  -2.5414   6.8394   9.5947   7.5110   36.017   16.757   55.385   21.034 -19.36852 26.89286 
1 1 1    6    5   71 o   57.976   16.491   12.286   6.6959   12.557   11.741   12.156   8.1515   57.503   24.592   58.449   21.978 -0.9456558 32.98139 
1 1 1    6    6    0 o  421.528   23.385  429.424   64.227  429.424   64.227  429.424   64.227  421.528   33.071  421.528   33.071 -0.000000 0.000000 
1 1 1    6    6    1 o  256.932   17.685  156.499   18.370  158.494   36.789  155.837   21.202  256.825   30.651  257.039   17.650 -0.2138672 35.36931 
1 1 1    6    6    2 f  630.942   34.361  1047.94   94.922  794.635  150.077  1216.84  122.548  555.141   57.845  706.742   37.102 -151.6014 68.72153 
1 1 1    6    6    3 o  347.427   19.148  294.315   30.094  211.194   42.531  377.660   42.587  296.171   30.727  398.683   22.857 -102.5124 38.29566 
1 1 1    6    6    4 o  235.790   12.138  129.891   13.156  124.300   16.974  138.305   20.822  229.673   15.814  241.907   18.418 -12.23422 24.27503 
1 1 1    6    6    5 o  278.124   14.253  181.471   18.225  173.620   23.518  193.273   28.835  270.961   18.572  285.286   21.627 -14.32455 28.50644 
1 1 1    6    6    6 o  815.941   45.332  1792.34  167.809  1848.14  216.638  1708.65  265.333  845.802   54.805  786.080   72.224 59.72235 90.66377 
1 1 1    6    6    7 o  180.950   11.307   77.576   9.4865   88.715   13.416   66.440   13.415  194.120   14.788  167.780   17.109 26.34004 22.61441 
1 1 1    6    6    8 o  241.499   13.894  138.095   15.658  129.276   22.120  146.951   22.167  233.672   20.255  249.327   19.024 -15.65431 27.78816 
1 1 1    6    6    9 o  111.162   10.614   28.683   5.2355   30.262   9.0474   27.887   6.4195  113.328   17.082  108.996   12.602 4.331795 21.22772 
1 1 1    6    6   10 o  325.027   19.229  239.828   28.019  294.337   48.565  212.632   34.304  350.805   29.622  299.249   24.528 51.55579 38.45887 
1 1 1    6    6   11 o  564.192   38.443  793.187   95.657  824.571  165.698  777.498  117.149  565.883   62.654  562.500   44.563 3.382080 76.88537 
1 1 1    6    6   12 o  418.961   20.561  419.330   40.256  414.695   56.948  423.960   56.913  416.592   29.250  421.330   28.903 -4.737274 41.12124 
1 1 1    6    6   13 o  315.022   18.250  239.033   26.102  251.296   33.705  220.660   41.255  325.941   22.127  304.102   29.028 21.83963 36.49947 
1 1 1    6    6   14 o  509.604   25.287  623.510   60.212  637.516   85.173  609.519   85.132  515.479   35.355  503.730   36.162 11.74832 50.57321 
1 1 1    6    6   15 o  300.176   14.675  208.728   20.293  193.250   26.197  231.946   32.086  286.614   19.558  313.738   21.883 -27.12350 29.34906 
1 1 1    6    6   16 f  528.161   24.121  656.506   58.593  625.857   75.641  702.485   92.647  513.598   31.513  542.724   36.527 -29.12646 48.24181 
1 1 1    6    6   17 o  597.602   31.028  859.051   86.410  786.049  122.209  932.036  122.194  571.466   45.758  623.739   41.918 -52.27277 62.05626 
1 1 1    6    6   18 o  605.068   31.141  889.577   85.560  932.292  110.460  825.514  135.276  625.534   37.784  584.603   49.513 40.93079 62.28296 
1 1 1    6    6   19 o  473.158   20.817  524.883   45.269  505.885   58.445  553.371   71.569  462.985   27.011  483.332   31.684 -20.34671 41.63460 
1 1 1    6    6   20 o  694.395   33.940  1163.36  107.800  1167.35  139.171  1157.38  170.443  698.124   42.655  690.666   52.804 7.458008 67.88033 
1 1 1    6    6   21 o  565.175   29.252  775.564   74.974  818.227   96.797  711.590  118.532  586.679   35.304  543.671   46.650 43.00739 58.50309 
1 1 1    6    6   22 o   75.497   12.970   16.672   4.8373   21.766   5.5821   1.3140   9.6932   96.407   12.389   54.587   22.790 41.81996 25.94023 
1 1 1    6    6   23 o  173.807   16.464   71.257   13.352   74.137   18.622   68.209   19.154  177.475   22.451  170.139   24.089 7.335938 32.92885 
1 1 1    6    6   24 o  549.429   41.637  723.045  106.914  723.045  106.914   0.0000   0.0000  549.429   41.637  ?   ?       ?      ? 
1 1 1    6    6   25 o  656.531   74.408  1089.64  228.307  1089.64  228.307   0.0000   0.0000  656.531   74.408  ?   ?       ?      ? 
1 1 1    6    6   26 o  363.816   40.845  318.271   69.448  318.271   69.448   0.0000   0.0000  363.816   40.845  ?   ?       ?      ? 
1 1 1    6    6   27 o  614.502   39.943  971.320  105.309  845.817  182.374  1034.10  128.985  575.457   67.812  653.547   42.230 -78.09003 79.88641 
1 1 1    6    6   28 o  373.520   30.235  360.410   47.531  280.613   82.373  400.240   58.197  337.091   52.287  409.948   30.376 -72.85767 60.47004 
1 1 1    6    6   29 o  334.475   17.249  264.177   26.447  261.537   34.154  268.132   41.798  332.799   21.959  336.150   26.606 -3.350342 34.49770 
1 1 1    6    6   30 f  368.269   19.302  335.492   31.638  379.697   40.880  269.480   49.957  400.885   21.820  335.654   31.846 65.23099 38.60445 
1 1 1    6    6   31 o   83.604   11.397   16.749   4.2271   15.734   5.4530   18.277   6.6913   80.558   15.037   86.649   17.131 -6.091019 22.79383 
1 1 1    6    6   32 o  290.849   14.670  202.482   19.392  212.238   25.051  187.896   30.631  300.123   17.860  281.575   23.277 18.54831 29.33959 
1 1 1    6    6   33 o  214.241   12.039  108.003   11.820  107.479   15.269  108.786   18.671  213.762   15.284  214.720   18.606 -0.9582520 24.07863 
1 1 1    6    6   34 o  460.221   29.588  504.031   60.688  470.054   74.300  572.139  105.194  440.414   36.098  480.027   46.890 -39.61340 59.17572 
1 1 1    6    6   35 o  215.771   19.118  110.291   19.278  110.291   19.278   0.0000   0.0000  215.771   19.118  ?   ?       ?      ? 
1 1 1    6    6   36 o  399.878   31.153  426.736   52.698  464.565   64.552  351.150   91.246  435.779   31.696  363.978   53.641 71.80084 62.30555 
1 1 1    6    6   37 o   96.827   13.664   20.449   5.2466   18.397   5.9502   27.620   11.122   88.279   14.422  105.376   23.211 -17.09620 27.32705 
1 1 1    6    6   38 o  294.655   22.703  222.694   28.558  240.159   34.973  187.748   49.472  316.107   23.673  273.203   38.746 42.90344 45.40571 
1 1 1    6    6   39 o   96.794   14.972   23.423   6.2843   24.491   7.5811   21.078   11.236  101.672   15.955   91.915   25.339 9.756172 29.94346 
1 1 1    6    6   40 o  560.472   39.673  858.244   88.680  843.702  102.391  901.900  177.402  575.758   38.052  545.185   69.626 30.57288 79.34559 
1 1 1    6    6   41 o  284.559   25.651  209.320   33.326  162.045   47.098  256.721   47.161  248.981   40.476  320.137   31.521 -71.15634 51.30223 
1 1 1    6    6   42 o   69.249   14.126   12.243   5.6030   18.769   6.9374  -0.0007   9.5019   87.083   17.650   51.415   22.059 35.66864 28.25115 
1 1 1    6    6   44 o  306.678   38.616  249.057   55.347  249.057   55.347   0.0000   0.0000  306.678   38.616  ?   ?       ?      ? 
1 1 1    6    6   45 o  131.671   15.046   47.425   7.4992   52.275   8.7737   34.272   14.448  148.423   12.649  114.919   27.304 33.50424 30.09168 
1 1 1    6    6   46 o  161.301   16.020   67.231   10.749   71.663   13.164   58.366   18.618  172.593   16.320  150.009   27.572 22.58455 32.04039 
1 1 1    6    6   47 o  135.382   13.962   39.723   7.8513   21.178   9.5532   78.318   13.781   90.662   22.620  180.101   16.373 -89.43922 27.92409 
1 1 1    6    6   48 o  113.131   15.394   35.343   7.3710   41.874   9.1262   23.088   12.501  132.189   14.772   94.073   27.013 38.11544 30.78861 
1 1 1    6    6   49 o   64.929   14.063   9.9383   5.6776   17.488   7.1409  -3.0358   9.3612   83.121   18.820   46.737   20.901 36.38453 28.12561 
1 1 1    6    6   50 o  163.101   16.467   69.650   11.289   73.734   13.924   61.818   19.283  173.902   17.133  152.300   28.128 21.60136 32.93491 
1 1 1    6    6   51 o   76.326   15.922   15.593   6.2793   19.177   7.8178   9.0762   10.541   86.522   19.766   66.131   24.966 20.39191 31.84318 
1 1 1    6    6   52 o  155.180   16.781   66.357   9.7246   71.238   11.284   52.270   19.170  172.104   14.029  138.255   30.489 33.84927 33.56170 
1 1 1    6    6   53 o  173.074   12.393   74.926   9.5373   80.090   12.069   66.340   15.563  182.500   14.151  163.647   20.348 18.85284 24.78505 
1 1 1    6    6   54 o  109.586   13.215   30.979   6.2227   33.165   7.8029   27.160   10.314  117.169   14.249  102.003   22.261 15.16621 26.43065 
1 1 1    6    6   55 o   51.974   14.396   3.5817   4.8089   1.5303   5.7840   8.1746   8.6546   42.546   17.671   61.403   22.732 -18.85622 28.79264 
1 1 1    6    6   56 o   84.910   15.012   18.242   5.9978   13.257   7.9016   25.019   9.2129   71.658   21.715   98.161   20.732 -26.50341 30.02312 
1 1 1    6    6   57 f   39.077   12.613  -5.6166   5.1428   0.5319   8.0317  -9.8893   6.6953   46.898   20.204   31.257   15.105 15.64173 25.22591 
1 1 1    6    6   58 o  114.431   28.450   37.257   15.150   0.0000   0.0000   37.257   15.150  ?   ?   114.431   28.450      ?      ? 
1 1 1    6    6   59 o   41.955   13.931  -5.8872   6.2590  -3.3831   7.2004 -13.6291   12.660   39.179   17.847   44.730   21.396 -5.551128 27.86230 
1 1 1    6    6   60 o  104.294   17.356   28.212   7.3130   26.312   8.3319   34.586   15.262  100.584   18.403  108.003   29.433 -7.418510 34.71203 
1 1 1    6    6   61 o   63.916   15.236   10.241   5.3383   8.3854   6.9351   12.940   8.3627   58.379   20.514   69.453   22.533 -11.07333 30.47249 
1 1 1    6    6   62 o   80.063   14.098   18.322   5.8523   25.690   7.7045   8.2736   8.9980  100.488   16.405   59.638   22.933 40.84978 28.19640 
1 1 1    6    6   63 o   47.030   14.967  -1.7181   5.6918  -3.2854   6.4416   3.8633   12.156   36.392   16.691   57.668   24.849 -21.27583 29.93437 
1 1 1    6    6   64 o   73.834   17.762   10.514   6.1589   6.2265   6.8174   29.549   14.364   52.383   20.004   95.284   29.357 -42.90029 35.52436 
1 1 1    6    6   65 o   74.802   17.855   15.390   6.2214   13.763   6.8843   22.638   14.531   69.122   20.104   80.482   29.513 -11.35940 35.70987 
1 1 1    6    6   66 f   92.620   22.539   25.369   9.6637   25.369   9.6637   0.0000   0.0000   92.620   22.539  ?   ?       ?      ? 
1 1 1    6    6   67 o   31.901   15.582 -10.7914   7.6508 -10.7914   7.6508   0.0000   0.0000   31.901   15.582  ?   ?       ?      ? 
1 1 1    6    6   68 o   62.546   17.106   11.366   6.6855   19.336   12.027   7.8024   8.0425   71.722   26.750   53.369   21.329 18.35276 34.21214 
1 1 1    6    6   69 o   38.433   12.279  -0.3933   4.7227   0.9500   6.3088  -2.1056   7.1228   39.426   17.422   37.439   17.308 1.987549 24.55777 
1 1 1    6    6   70 o   34.555   11.469  -3.3540   4.7325  -1.5179   6.4679  -5.4696   6.9428   35.965   16.580   33.144   15.852 2.820965 22.93829 
1 1 1    6    7    0 o   86.570   9.0984   18.679   4.8674   18.679   4.8674   18.679   4.8674   86.570   12.867   86.570   12.867 -0.000000 0.000000 
1 1 1    6    7    1 o  163.389   10.533   62.893   8.0337   59.451   11.355   66.343   11.368  158.877   15.292  167.901   14.487 -9.024155 21.06516 
1 1 1    6    7    2 o  371.968   20.420  332.406   35.484  321.639   50.177  343.177   50.187  365.774   29.353  378.162   28.397 -12.38763 40.84056 
1 1 1    6    7    3 o  557.847   26.889  761.603   70.089  778.441   99.124  744.767   99.117  564.304   37.586  551.390   38.463 12.91412 53.77847 
1 1 1    6    7    4 o  229.995   18.994  138.281   18.055   97.440   31.249  158.748   22.121  200.710   33.313  259.281   18.256 -58.57140 37.98752 
1 1 1    6    7    5 o  370.402   18.816  328.284   32.417  364.644   45.860  291.973   45.830  391.389   25.071  349.414   28.065 41.97507 37.63255 
1 1 1    6    7    6 o  235.164   16.556  129.251   17.270  125.155   21.157  137.428   29.898  230.188   19.667  240.141   26.640 -9.952530 33.11296 
1 1 1    6    7    7 o  264.820   19.308  172.757   22.057  183.321   27.005  151.590   38.228  278.488   20.749  251.152   32.568 27.33557 38.61647 
1 1 1    6    7    8 o  287.638   16.205  196.841   21.626  169.706   30.551  224.095   30.618  267.412   24.446  307.864   21.280 -40.45148 32.41032 
1 1 1    6    7    9 o  367.856   25.135  317.789   41.167  355.938   71.393  298.786   50.388  382.400   39.948  353.312   30.516 29.08795 50.26989 
1 1 1    6    7   10 o  278.313   19.265  182.710   23.710  190.213   41.091  178.965   29.030  281.722   31.209  274.904   22.596 6.817719 38.53028 
1 1 1    6    7   11 o  279.981   16.073  192.520   20.075  215.954   25.905  157.291   31.763  302.741   18.310  257.221   26.422 45.51956 32.14608 
1 1 1    6    7   12 o   46.854   10.115   4.2739   2.3571   2.5969   2.8414   7.9747   4.2210   36.399   13.095   57.309   15.421 -20.91008 20.23040 
1 1 1    6    7   13 o  226.014   12.249  121.040   12.618  124.978   16.294  115.143   19.941  230.790   15.107  221.238   19.286 9.551926 24.49825 
1 1 1    6    7   14 o  414.232   22.119  370.349   38.433  329.403   44.353  493.749   76.997  373.534   25.407  454.930   36.215 -81.39630 44.23815 
1 1 1    6    7   15 f  337.189   18.666  268.841   29.339  246.835   41.501  290.824   41.481  323.230   27.473  351.147   25.276 -27.91660 37.33189 
1 1 1    6    7   16 o  1119.30   83.501  3456.35  409.771  3385.99  501.855  3597.10  709.772  1135.03   94.608  1103.57  137.619 31.45935 167.0019 
1 1 1    6    7   17 o  404.522   23.441  376.527   38.844  364.556   44.836  412.556   77.780  393.387   24.387  415.657   40.040 -22.27011 46.88202 
1 1 1    6    7   18 o  752.117   36.217  1341.57  125.564  1210.08  162.096  1538.86  198.549  708.086   48.983  796.148   53.362 -88.06134 72.43468 
1 1 1    6    7   19 o  230.659   12.362  123.982   13.100  120.323   16.919  129.458   20.699  226.519   15.982  234.799   18.863 -8.279541 24.72331 
1 1 1    6    7   20 o  1105.72   53.382  3087.86  269.601  3105.04  348.058  3062.09  426.269  1118.63   66.577  1092.81   83.463 25.81824 106.7640 
1 1 1    6    7   21 f  760.729   37.108  1423.89  128.063  1495.18  165.329  1316.97  202.483  788.712   44.853  732.745   59.128 55.96692 74.21504 
1 1 1    6    7   22 o  972.062   51.894  2379.97  235.738  2406.72  333.365  2353.21  333.402  977.955   72.939  966.170   73.837 11.78534 103.7879 
1 1 1    6    7   23 o  727.670   46.792  1268.54  152.104  1163.45  186.299  1478.64  263.421  689.192   57.840  766.148   73.569 -76.95654 93.58331 
1 1 1    6    7   24 o  610.572   43.775  895.874  124.914  895.874  124.914   0.0000   0.0000  610.572   43.775  ?   ?       ?      ? 
1 1 1    6    7   25 o  741.108   34.025  1309.27  117.848  1309.27  117.848   0.0000   0.0000  741.108   34.025  ?   ?       ?      ? 
1 1 1    6    7   26 o  472.665   37.404  553.927   81.922  474.836  115.793  633.187  115.917  436.836   56.718  508.493   48.778 -71.65656 74.80763 
1 1 1    6    7   27 o  282.244   22.530  188.109   29.718   0.0000   0.0000  188.109   29.718  ?   ?   282.244   22.530      ?      ? 
1 1 1    6    7   28 o  638.893   34.737  1005.00  103.466  927.446  146.295  1082.62  146.350  612.915   51.072  664.872   47.099 -51.95667 69.47464 
1 1 1    6    7   29 o  320.117   18.461  243.850   27.507  268.935   38.912  218.796   38.889  336.873   24.716  303.362   27.430 33.51086 36.92253 
1 1 1    6    7   30 o  202.603   11.492   96.393   10.672   95.900   13.792   97.129   16.849  202.078   14.604  203.128   17.748 -1.049927 22.98433 
1 1 1    6    7   31 o   99.994   12.081   23.767   5.5072   26.915   8.1020   21.063   7.5085  106.965   16.207   93.023   17.921 13.94144 24.16284 
1 1 1    6    7   32 o  266.400   15.608  169.022   19.223  198.676   27.340  140.028   27.034  289.932   20.177  242.867   23.818 47.06599 31.21567 
1 1 1    6    7   33 o  205.562   13.363  100.805   12.669   83.438   18.119  117.418   17.721  187.855   20.638  223.270   16.983 -35.41440 26.72699 
1 1 1    6    7   34 o  334.473   28.277  309.425   34.097  338.637   39.372  221.780   68.197  377.443   22.320  291.503   51.964 85.94006 56.55469 
1 1 1    6    7   35 o  144.815   11.490   49.724   7.7542   47.159   11.198   52.086   10.748  141.140   16.977  148.491   15.488 -7.351013 22.97980 
1 1 1    6    7   36 o  140.703   11.033   46.547   7.1981   55.358   10.585   38.966   9.8180  153.106   14.792  128.300   16.374 24.80551 22.06620 
1 1 1    6    7   37 o  295.740   16.477  210.256   22.725  195.576   32.223  224.783   32.054  285.153   24.179  306.327   22.390 -21.17368 32.95362 
1 1 1    6    7   38 o  190.608   16.838   90.864   13.552   78.906   24.249   96.295   16.343  179.823   28.854  201.393   17.363 -21.56934 33.67565 
1 1 1    6    7   39 o  197.796   14.330   89.850   11.708   85.779   13.542  101.897   23.295  190.301   15.227  205.291   24.280 -14.99033 28.65956 
1 1 1    6    7   40 o   76.755   14.015   14.670   5.0807   13.027   7.2130   16.288   7.1576   72.607   20.408   80.904   19.216 -8.297729 28.03077 
1 1 1    6    7   41 o  247.722   21.200  148.381   24.544  148.381   24.544   0.0000   0.0000  247.722   21.200  ?   ?       ?      ? 
1 1 1    6    7   42 o  162.349   24.736   64.582   18.768   64.582   18.768   0.0000   0.0000  162.349   24.736  ?   ?       ?      ? 
1 1 1    6    7   43 o   52.911   21.017   3.8897   7.7638   3.8897   7.7638   0.0000   0.0000   52.911   21.017  ?   ?       ?      ? 
1 1 1    6    7   44 o  140.114   16.266   48.127   10.650   47.244   14.957   49.034   15.167  138.795   23.059  141.432   22.947 -2.636536 32.53106 
1 1 1    6    7   45 f  125.962   14.045   36.831   8.0292   31.574   9.9995   46.372   13.471  114.166   18.741  137.757   20.924 -23.59175 28.09023 
1 1 1    6    7   46 o  128.537   16.026   47.749   7.7257   53.921   8.9877   30.282   15.119  150.449   12.782  106.624   29.394 43.82520 32.05276 
1 1 1    6    7   47 o  112.626   14.911   34.748   6.5794   38.040   7.6881   25.741   12.718  126.291   13.026   98.961   26.827 27.32954 29.82199 
1 1 1    6    7   48 o  122.649   12.641   34.621   6.7037   31.819   7.9479   41.528   12.479  115.208   14.761  130.091   20.525 -14.88290 25.28198 
1 1 1    6    7   49 o   93.662   13.236   17.259   5.3126   10.642   6.1579   36.518   10.506   65.134   19.033  122.189   18.398 -57.05473 26.47167 
1 1 1    6    7   50 o   96.268   15.030   26.723   6.0328   30.293   6.9925   16.328   11.932  112.348   13.318   80.189   26.950 32.15912 30.06059 
1 1 1    6    7   51 o   62.149   14.104   7.4130   4.5121   4.0009   5.3839   15.464   8.2702   46.834   17.803   77.465   21.880 -30.63043 28.20812 
1 1 1    6    7   52 o   94.992   16.398   24.449   7.2301   28.267   9.2839   18.565   11.526  105.613   19.529   84.371   26.347 21.24263 32.79554 
1 1 1    6    7   53 o   67.973   14.654   12.091   5.0941   14.140   6.1065   7.4002   9.2373   74.653   17.761   61.294   23.315 13.35887 29.30897 
1 1 1    6    7   54 o  210.464   14.410   98.971   12.803   84.391   14.792  142.524   25.566  185.200   17.090  235.728   23.207 -50.52806 28.82018 
1 1 1    6    7   55 o  198.416   12.294   92.147   11.100   69.778   14.144  128.003   17.907  168.211   17.992  228.621   16.760 -60.41017 24.58897 
1 1 1    6    7   56 o  223.085   15.139  127.467   15.648  142.044   21.829  112.060   22.443  237.737   19.647  208.432   23.039 29.30492 30.27864 
1 1 1    6    7   57 o   72.756   17.829   12.273   7.1785   18.989   12.209   8.7244   8.8747   83.374   27.235   62.139   23.017 21.23478 35.65823 
1 1 1    6    7   58 o   92.411   33.607   24.797   18.784   0.0000   0.0000   24.797   18.784  ?   ?    92.411   33.607      ?      ? 
1 1 1    6    7   59 o   87.665   18.901   16.037   7.0744   11.617   7.8413   35.374   16.401   66.765   21.828  108.565   30.864 -41.80045 37.80265 
1 1 1    6    7   60 o  154.260   14.000   61.759   10.008   55.001   14.426   68.029   13.896  144.928   21.299  163.592   18.175 -18.66393 27.99931 
1 1 1    6    7   61 o   69.815   16.415   13.233   6.3180   11.133   9.3978   14.965   8.5344   65.898   23.800   73.731   22.614 -7.832748 32.83071 
1 1 1    6    7   62 o  187.984   12.485   91.783   10.757   94.222   14.088   88.373   16.660  192.952   15.623  183.017   19.478 9.934784 24.96942 
1 1 1    6    7   63 o   46.833   13.348  -3.6015   5.2780   11.378   8.4558 -13.1628   6.7557   65.052   22.663   28.614   14.108 36.43787 26.69578 
1 1 1    6    7   64 o   51.129   14.925   4.6211   5.7572   5.0168   8.6179   4.3021   7.7371   52.417   21.653   49.841   20.546 2.576481 29.84946 
1 1 1    6    7   65 f  103.449   16.378   36.151   8.5859   49.797   10.986   14.733   13.763  137.051   17.151   69.847   27.906 67.20408 32.75552 
1 1 1    6    7   66 o   45.428   14.184   0.0612   5.7444  -2.9453   7.2408   5.1669   9.4359   38.101   17.557   52.754   22.282 -14.65237 28.36810 
1 1 1    6    7   67 o   33.080   11.053  -6.4036   4.7162  -0.9121   6.3821 -13.0103   7.0002   37.596   16.997   28.564   14.135 9.032129 22.10677 
1 1 1    6    7   68 f   39.011   12.445  -0.9373   4.9061   2.6522   7.0387  -4.3290   6.8420   43.501   18.826   34.522   16.283 8.979084 24.89092 
1 1 1    6    7   69 o   58.835   14.480   10.131   5.3873   17.022   7.7168   3.5784   7.5245   72.277   21.360   45.392   19.555 26.88494 28.95943 
1 1 1    6    7   70 f   43.795   13.929   0.0908   5.7332   9.3519   9.8077  -4.7165   7.0663   53.723   22.706   33.866   16.140 19.85723 27.85782 
1 1 1    6    8    0 o  887.190   47.277  1975.73  273.599  1975.73  273.599  1975.73  273.599  887.190   66.859  887.190   66.859 -0.000000 0.000000 
1 1 1    6    8    1 o  444.389   23.803  477.136   49.091  413.939   69.407  540.399   69.443  413.947   35.877  474.830   31.293 -60.88361 47.60664 
1 1 1    6    8    2 o  317.702   16.522  239.234   24.530  236.359   34.689  242.110   34.693  315.766   23.506  319.638   23.224 -3.872437 33.04388 
1 1 1    6    8    3 o  124.450   9.2067   36.351   5.3547   36.094   7.5693   36.609   7.5761  124.008   13.061  124.893   12.980 -0.8842239 18.41332 
1 1 1    6    8    4 o  194.514   11.743   89.451   10.596  102.095   15.006   76.878   14.964  208.382   15.409  180.646   17.724 27.73514 23.48584 
1 1 1    6    8    5 o  182.167   10.364   77.108   8.6775   82.655   13.762   73.447   11.180  187.469   15.708  176.865   13.526 10.60329 20.72861 
1 1 1    6    8    6 o  713.677   38.722  1288.25  126.061  1262.69  199.340  1305.29  162.732  701.682   60.787  725.671   47.983 -23.98914 77.44332 
1 1 1    6    8    7 o  379.534   21.067  331.567   32.841  371.651   65.756  318.245   37.907  392.338   35.862  366.730   22.117 25.60843 42.13345 
1 1 1    6    8    8 o  300.824   18.283  213.213   25.704   0.0000   0.0000  213.213   25.704  ?   ?   300.824   18.283      ?      ? 
1 1 1    6    8    9 o  249.105   14.027  137.192   14.505  166.331   29.089  127.550   16.733  265.185   23.472  233.025   15.365 32.15959 28.05357 
1 1 1    6    8   10 o  220.791   14.188  106.877   14.054  145.397   24.438   87.843   17.179  248.374   21.053  193.208   19.025 55.16699 28.37589 
1 1 1    6    8   11 o  117.005   7.6960   31.742   4.1495   33.872   6.5165   30.290   5.3816  120.257   11.595  113.753   10.123 6.504845 15.39201 
1 1 1    6    8   12 o  119.771   8.3748   33.595   4.6874   34.148   6.6408   33.045   6.6173  120.755   11.767  118.787   11.920 1.968636 16.74956 
1 1 1    6    8   13 o  551.026   30.786  732.987   78.569  843.079  111.126  622.945  111.100  593.765   40.046  508.286   46.770 85.47800 61.57170 
1 1 1    6    8   14 f  204.891   10.807   96.813   10.199   89.616   13.160  107.633   16.137  195.551   14.400  214.230   16.117 -18.67946 21.61300 
1 1 1    6    8   15 o  376.003   17.562  325.288   30.441  287.031   39.291  382.733   48.146  349.095   24.083  402.911   25.569 -53.81644 35.12440 
1 1 1    6    8   16 o  427.288   21.387  441.351   41.274  475.208   53.297  390.628   65.236  448.983   25.400  405.593   34.415 43.39072 42.77344 
1 1 1    6    8   17 o  136.367   10.918   42.735   6.0662   41.867   6.9957   45.363   12.179  133.739   11.193  138.995   18.749 -5.255432 21.83558 
1 1 1    6    8   18 o  564.917   26.006  744.534   67.719  673.062   87.422  851.759  107.078  532.148   35.152  597.685   38.334 -65.53687 52.01100 
1 1 1    6    8   19 o   73.113   12.466   12.603   3.2677   12.650   3.5353   12.330   8.5631   73.522   10.289   72.704   22.711 0.8174438 24.93291 
1 1 1    6    8   20 f  540.316   28.124  697.712   71.010  685.667  100.390  709.772  100.457  535.547   40.110  545.085   39.434 -9.537598 56.24808 
1 1 1    6    8   21 o  649.189   48.052  1077.59  134.570  1131.44  164.776  969.722  233.189  682.789   51.637  615.589   81.054 67.20038 96.10491 
1 1 1    6    8   22 o  545.352   42.429  712.986  108.138  712.986  108.138   0.0000   0.0000  545.352   42.429  ?   ?       ?      ? 
1 1 1    6    8   23 o  565.900   36.094  774.424   82.475  771.018   95.250  784.627  164.871  568.894   35.825  562.906   62.671 5.988159 72.18796 
1 1 1    6    8   24 o  131.916   12.210   40.773   7.5279   40.773   7.5279   0.0000   0.0000  131.916   12.210  ?   ?       ?      ? 
1 1 1    6    8   25 o  332.363   26.764  265.684   41.570  267.893   58.669  263.456   58.911  333.811   37.607  330.915   38.092 2.896271 53.52827 
1 1 1    6    8   26 o  351.267   39.896  297.874   65.494   0.0000   0.0000  297.874   65.494  ?   ?   351.267   39.896      ?      ? 
1 1 1    6    8   27 o  477.769   36.196  596.743   72.922  474.084  126.301  658.078   89.312  432.407   62.499  523.132   36.531 -90.72516 72.39165 
1 1 1    6    8   28 o  390.330   19.838  368.763   35.065  391.689   45.258  334.331   55.463  406.751   23.808  373.910   31.739 32.84067 39.67617 
1 1 1    6    8   29 f  112.915   10.144   31.117   5.1001   34.890   6.5610   25.356   8.1073  122.003   11.507  103.828   16.708 18.17480 20.28700 
1 1 1    6    8   30 o  585.149   27.237  814.943   73.447  743.852   94.813  921.616  116.141  554.879   36.562  615.419   40.381 -60.53992 54.47355 
1 1 1    6    8   31 o  270.245   14.532  173.777   17.910  178.008   23.109  167.413   28.342  274.759   17.996  265.731   22.822 9.028687 29.06379 
1 1 1    6    8   32 o  202.673   11.775   98.752   10.783  105.992   13.911   87.855   17.067  212.400   14.014  192.947   18.926 19.45363 23.54966 
1 1 1    6    8   33 o  325.984   17.269  255.891   25.603  266.216   33.049  240.394   40.489  335.089   21.104  316.879   27.340 18.21005 34.53762 
1 1 1    6    8   34 o  247.916   19.133  150.654   20.636  155.283   25.236  141.312   35.850  255.270   21.153  240.563   31.888 14.70689 38.26584 
1 1 1    6    8   35 f  268.275   15.458  176.636   18.641  192.748   24.048  152.382   29.506  284.974   18.057  251.577   25.095 33.39661 30.91629 
1 1 1    6    8   36 o  188.111   12.616   84.054   11.059   92.230   15.770   76.140   15.514  197.238   17.108  178.984   18.546 18.25348 25.23172 
1 1 1    6    8   37 o  266.236   13.979  167.484   17.114  160.764   22.116  177.516   27.022  260.048   18.197  272.425   21.224 -12.37735 27.95710 
1 1 1    6    8   38 o  390.940   20.033  370.159   35.993  355.614   46.478  391.952   56.890  382.796   25.980  399.084   30.502 -16.28784 40.06629 
1 1 1    6    8   39 o  267.717   13.506  167.022   16.666  144.391   21.523  200.916   26.340  245.773   18.738  289.661   19.457 -43.88817 27.01284 
1 1 1    6    8   40 o  175.597   12.243   73.683   10.047   73.112   14.171   74.260   14.247  174.908   17.336  176.286   17.293 -1.377274 24.48654 
1 1 1    6    8   41 o  149.771   16.155   59.334   9.9694   67.793   12.407   43.919   16.748  168.694   15.737  130.848   28.218 37.84650 32.30943 
1 1 1    6    8   42 o  250.251   31.502  158.519   36.843  158.519   36.843   0.0000   0.0000  250.251   31.502  ?   ?       ?      ? 
1 1 1    6    8   43 o   83.137   23.631   17.443   9.6154   17.443   9.6154   0.0000   0.0000   83.137   23.631  ?   ?       ?      ? 
1 1 1    6    8   44 o  121.985   14.065   35.270   7.3678   32.731   8.9051   40.779   13.118  116.814   16.312  127.156   22.917 -10.34126 28.12955 
1 1 1    6    8   45 o  278.063   14.953  187.338   19.140  175.772   24.713  204.674   30.255  268.376   19.704  287.751   22.498 -19.37485 29.90634 
1 1 1    6    8   46 o  176.267   12.822   76.663   10.280   57.028   14.506   96.475   14.571  152.340   20.374  200.194   15.574 -47.85448 25.64472 
1 1 1    6    8   47 o   77.997   12.349   14.136   4.5460   8.7340   5.8783   22.174   7.1707   60.004   18.829   95.991   15.984 -35.98752 24.69843 
1 1 1    6    8   48 o  109.748   12.584   29.959   6.1576   22.391   8.5797   37.998   8.8425   93.820   20.167  125.675   15.055 -31.85487 25.16701 
1 1 1    6    8   49 o  131.804   11.811   42.388   7.2535   45.557   10.186   39.126   10.332  137.063   15.901  126.545   17.469 10.51825 23.62277 
1 1 1    6    8   50 o  121.179   12.719   30.770   6.4946   24.771   7.4673   49.401   13.160  101.092   15.805  141.267   19.933 -40.17578 25.43892 
1 1 1    6    8   51 o  234.943   15.409  124.173   15.225  108.094   17.580  172.420   30.453  210.130   17.901  259.756   25.086 -49.62590 30.81793 
1 1 1    6    8   52 f   74.565   16.496   13.914   6.2295   13.434   7.8263   14.744   10.291   72.634   21.522   76.495   25.006 -3.861099 32.99245 
1 1 1    6    8   53 o  145.322   15.962   55.315   9.7666   57.845   12.008   50.370   16.786  153.783   16.708  136.861   27.203 16.92220 31.92395 
1 1 1    6    8   54 o   66.039   16.061   9.3905   6.9356  -2.3016   10.893   17.361   8.9941   50.834   22.654   81.243   22.772 -30.40923 32.12104 
1 1 1    6    8   55 o   56.236   15.412   5.7363   5.9324   8.6242   7.4859   0.8608   9.7266   60.710   21.314   51.762   22.266 8.947277 30.82327 
1 1 1    6    8   56 f  112.623   19.404   35.289   10.018   35.637   15.570   35.044   13.086  111.823   29.403  113.424   25.327 -1.601250 38.80717 
1 1 1    6    8   57 o   42.608   19.120  -2.3712   7.9059   0.0000   0.0000  -2.3712   7.9059  ?   ?    42.608   19.120      ?      ? 
1 1 1    6    8   58 o  107.156   22.574   34.415   11.940   33.810   15.100   35.425   19.507  107.712   29.244  106.600   34.397 1.111366 45.14821 
1 1 1    6    8   59 o   82.897   19.167   20.327   8.3389   22.826   9.2995   10.073   18.840   91.692   21.986   74.102   31.403 17.59048 38.33406 
1 1 1    6    8   60 o  178.793   18.449   94.968   13.371   66.470   21.849  112.029   16.906  146.973   32.657  210.612   17.175 -63.63824 36.89796 
1 1 1    6    8   61 o  138.517   12.763   48.091   7.8863   44.739   9.6773   54.720   13.607  133.257   15.539  143.777   20.251 -10.52037 25.52536 
1 1 1    6    8   62 o   45.014   13.984   0.0186   5.6485  -0.4688   7.6407   0.6059   8.3878   43.397   19.175   46.630   20.362 -3.232906 27.96898 
1 1 1    6    8   63 f   55.255   15.150   6.3336   5.7431   2.7137   7.9689   10.246   8.2843   48.325   20.448   62.186   22.360 -13.86120 30.30034 
1 1 1    6    8   64 o  109.140   16.854   42.337   9.0895   55.819   11.253   17.029   15.418  145.540   16.544   72.740   29.368 72.79998 33.70739 
1 1 1    6    8   65 o   73.605   17.103   16.993   7.0964   20.211   8.8511   11.202   11.874   82.641   22.370   64.570   25.877 18.07113 34.20556 
1 1 1    6    8   66 f   41.914   13.275   0.0600   5.3334  -1.7284   8.4417   1.2481   6.8806   41.772   19.140   42.057   18.401 -0.2852974 26.55068 
1 1 1    6    8   67 o   75.310   15.768   17.761   6.1962   25.885   9.3777   11.466   8.2549   90.153   22.365   60.468   22.234 29.68492 31.53662 
1 1 1    6    8   68 o   78.683   15.784   24.845   7.6612   3.9945   15.471   31.620   8.8184   54.210   25.215  103.156   18.991 -48.94644 31.56724 
1 1 1    6    8   69 o   67.298   15.517   17.081   6.4292   20.898   7.4737   6.2171   12.609   81.688   19.786   52.907   23.908 28.78049 31.03347 
1 1 1    6    9    0 o  332.172   28.344  273.552   59.825  273.552   59.825  273.552   59.825  332.172   40.085  332.172   40.085 -0.000000 0.000000 
1 1 1    6    9    1 o  120.615   9.1895   34.182   5.1699   36.584   7.3024   31.768   7.3202  124.887   12.511  116.342   13.463 8.544693 18.37897 
1 1 1    6    9    2 o  501.689   26.307  608.036   61.568  649.305   87.078  566.783   87.062  519.286   35.881  484.093   38.482 35.19278 52.61448 
1 1 1    6    9    3 o  304.005   17.036  219.128   24.150  235.864   34.165  202.414   34.143  315.776   23.150  292.235   24.999 23.54089 34.07202 
1 1 1    6    9    4 o  148.679   10.052   51.883   6.9848   52.133   9.9005   51.635   9.8558  149.036   14.214  148.322   14.218 0.7145691 20.10473 
1 1 1    6    9    5 o  479.550   23.023  538.829   50.878  611.064   80.490  490.761   65.658  505.315   34.083  453.785   30.960 51.53015 46.04505 
1 1 1    6    9    6 o  566.579   27.891  775.756   72.134  755.761  114.068  789.080   93.117  558.613   43.693  574.545   34.679 -15.93182 55.78223 
1 1 1    6    9    7 o  540.032   41.575  746.271   96.474  654.538  167.130  792.111  118.145  507.572   70.455  572.493   44.157 -64.92032 83.14939 
1 1 1    6    9    8 o  120.064   10.612   31.757   5.7104   41.283   9.9550   27.085   6.9714  132.636   16.060  107.492   13.877 25.14414 21.22466 
1 1 1    6    9    9 o  652.038   35.622  949.233   97.087  1226.37  194.273  856.978  112.088  705.844   58.893  598.233   40.091 107.6103 71.24328 
1 1 1    6    9   10 o  284.447   22.906  212.442   24.723  155.985   49.453  231.254   28.547  255.177   41.468  313.716   19.470 -58.53915 45.81133 
1 1 1    6    9   11 o  627.897   26.528  937.373   76.336  951.083  120.699  928.233   98.549  630.538   40.959  625.255   33.725 5.283203 53.05671 
1 1 1    6    9   12 o  370.224   24.259  331.725   35.888  313.153   71.828  337.904   41.431  361.605   42.503  378.843   23.400 -17.23770 48.51854 
1 1 1    6    9   13 o  518.348   28.172  641.467   68.244  649.507   96.511  633.427   96.511  521.667   39.586  515.029   40.096 6.637695 56.34495 
1 1 1    6    9   14 o  405.473   20.285  389.144   38.338  356.902   54.205  421.418   54.231  388.451   29.858  422.495   27.465 -34.04358 40.56899 
1 1 1    6    9   15 o  708.321   37.334  1222.48  122.664  1388.61  173.495  1056.44  173.453  758.489   48.943  658.154   56.391 100.3348 74.66881 
1 1 1    6    9   16 o  745.871   37.166  1358.13  128.145  1580.36  181.238  1135.97  181.209  809.610   47.900  682.131   56.842 127.4794 74.33290 
1 1 1    6    9   17 o  512.827   39.444  651.849   91.763  478.658  129.684  825.511  129.861  440.480   62.997  585.173   47.485 -144.6925 78.88838 
1 1 1    6    9   18 o  525.274   34.219  680.677   80.808  472.875  114.042  890.218  114.518  440.305   55.420  610.243   40.154 -169.9383 68.43796 
1 1 1    6    9   19 o  1251.98   71.108  4198.59  415.978  4114.60  588.260  4282.58  588.304  1237.63  101.703  1266.33   99.406 -28.69458 142.2152 
1 1 1    6    9   20 o  579.481   35.720  763.582   92.992  642.615  113.889  1005.54  161.072  516.173   47.211  642.788   53.618 -126.6153 71.44069 
1 1 1    6    9   21 o  847.855   65.896  1786.46  261.109  1786.46  261.109   0.0000   0.0000  847.855   65.896  ?   ?       ?      ? 
1 1 1    6    9   22 o  782.869   49.288  1488.46  180.331  1488.46  180.331   0.0000   0.0000  782.869   49.288  ?   ?       ?      ? 
1 1 1    6    9   23 o  521.285   31.683  647.283   77.188  647.283   77.188   0.0000   0.0000  521.285   31.683  ?   ?       ?      ? 
1 1 1    6    9   24 f   83.438   13.480   15.618   4.3936   14.599   4.9373   19.495   9.6316   77.690   14.118   89.185   22.969 -11.49547 26.96075 
1 1 1    6    9   25 o   96.142   16.983   22.281   7.6198   18.165   10.180   27.525   11.491   86.433   24.227  105.852   23.806 -19.41923 33.96560 
1 1 1    6    9   26 o  459.109   27.697  489.632   56.864  577.734   98.572  445.691   69.614  487.178   43.294  431.040   34.557 56.13818 55.39445 
1 1 1    6    9   27 o  167.055   13.472   60.781   9.9943   50.883   12.052   82.575   17.883  147.038   17.538  187.073   20.455 -40.03458 26.94433 
1 1 1    6    9   28 o  652.536   33.856  1098.16   97.290  1264.30  125.615  849.088  153.803  723.874   37.131  581.197   56.624 142.6769 67.71233 
1 1 1    6    9   29 f  385.090   21.072  355.403   37.753  317.257   53.366  393.619   53.415  363.879   31.381  406.301   28.130 -42.42145 42.14336 
1 1 1    6    9   30 o  208.035   11.895  102.041   11.316  102.452   14.588  101.420   17.930  208.734   14.954  207.336   18.504 1.397873 23.79064 
1 1 1    6    9   31 o   64.901   13.221   10.192   4.2497   8.8344   6.2276   11.375   5.8137   61.558   19.390   68.244   17.978 -6.685768 26.44201 
1 1 1    6    9   32 o  166.946   11.731   69.297   8.6230   80.706   11.138   52.225   13.624  185.337   12.859  148.555   19.624 36.78238 23.46115 
1 1 1    6    9   33 o  118.712   11.318   33.564   6.2280   29.685   9.0044   37.122   8.6234  111.981   17.206  125.442   14.709 -13.46127 22.63607 
1 1 1    6    9   34 o  142.009   11.082   47.670   7.3463   44.564   10.287   50.901   10.494  137.251   16.038  146.766   15.299 -9.515411 22.16498 
1 1 1    6    9   35 o  263.701   15.743  153.577   17.182  140.216   19.744  195.285   34.883  243.142   17.375  284.260   26.258 -41.11800 31.48583 
1 1 1    6    9   36 o  220.822   11.199  112.579   11.394   98.981   14.682  133.167   18.066  204.558   15.358  237.085   16.304 -32.52652 22.39872 
1 1 1    6    9   37 o  379.971   19.400  351.194   33.750  349.116   43.565  354.312   53.373  380.125   24.523  379.817   30.068 0.3083191 38.80035 
1 1 1    6    9   38 o   61.106   14.465   8.5692   4.2032   9.2429   4.6120   5.2669   10.211   61.268   15.951   60.945   24.136 0.3226433 28.93044 
1 1 1    6    9   39 o  231.562   14.012  128.983   15.157  124.773   21.435  133.193   21.436  227.672   20.145  235.452   19.480 -7.780121 28.02313 
1 1 1    6    9   40 o  151.993   17.113   62.072   10.434   45.758   18.431   69.767   12.658  132.867   30.347  171.119   15.828 -38.25195 34.22683 
1 1 1    6    9   42 o   35.568   16.161  -3.3312   5.8576  -3.3312   5.8576   0.0000   0.0000   35.568   16.161  ?   ?       ?      ? 
1 1 1    6    9   43 o  149.589   16.951   62.220   10.209   74.509   12.683   39.605   17.205  176.557   15.370  122.621   30.218 53.93601 33.90199 
1 1 1    6    9   44 o  131.817   17.082   48.609   9.0771   33.129   16.374   55.476   10.906  111.513   30.527  152.121   15.341 -40.60825 34.16480 
1 1 1    6    9   45 o   60.745   13.362   8.2051   4.5530   14.014   6.6108   2.9631   6.2797   74.409   18.957   47.080   18.836 27.32854 26.72355 
1 1 1    6    9   46 o   85.875   13.355   18.577   5.2128   19.345   7.4998   17.860   7.2506   87.623   18.872   84.127   18.902 3.496284 26.71039 
1 1 1    6    9   47 o   38.934   11.559  -0.5519   3.7694  -4.2728   5.2037   3.5560   5.4676   31.681   14.698   46.188   17.844 -14.50693 23.11826 
1 1 1    6    9   48 o  100.343   12.882   29.366   5.6470   43.798   7.4429   9.7888   8.6687  135.564   11.748   65.121   22.931 70.44315 25.76475 
1 1 1    6    9   49 o  133.883   10.854   42.706   6.7300   38.452   8.8239   48.621   10.406  126.151   14.967  141.614   15.723 -15.46251 21.70736 
1 1 1    6    9   50 o   73.125   13.638   13.938   4.7340   15.659   6.1135   11.361   7.4815   78.777   17.096   67.473   21.253 11.30396 27.27592 
1 1 1    6    9   51 o  140.500   11.690   50.240   7.2571   58.142   9.4120   38.655   11.397  155.834   12.923  125.166   19.483 30.66804 23.37935 
1 1 1    6    9   52 o  236.706   12.538  133.814   13.687  116.086   17.707  160.135   21.575  217.917   17.386  255.494   18.069 -37.57629 25.07532 
1 1 1    6    9   53 o  129.564   11.477   41.384   6.8016   42.639   8.8552   39.579   10.622  132.643   14.285  126.485   17.968 6.157982 22.95464 
1 1 1    6    9   54 o   96.737   14.133   23.982   6.1766   20.849   8.4839   27.515   9.0099   89.614   20.678  103.860   19.272 -14.24575 28.26582 
1 1 1    6    9   55 o  169.751   13.084   72.340   10.243   59.470   14.443   85.365   14.529  153.464   20.138  186.038   16.711 -32.57376 26.16856 
1 1 1    6    9   56 o  146.360   19.257   64.421   11.421   44.508   20.432   73.470   13.774  120.768   34.489  171.952   17.140 -51.18417 38.51351 
1 1 1    6    9   57 o  179.608   29.744   90.728   24.967   90.728   24.967   0.0000   0.0000  179.608   29.744  ?   ?       ?      ? 
1 1 1    6    9   58 o   70.285   23.748   12.990   9.2658   12.990   9.2658   0.0000   0.0000   70.285   23.748  ?   ?       ?      ? 
1 1 1    6    9   59 o  151.709   15.850   58.854   10.967   51.593   13.799   71.305   18.070  140.546   21.009  162.872   23.739 -22.32588 31.70011 
1 1 1    6    9   60 o  108.865   16.008   32.636   8.0193   38.582   11.239   26.467   11.446  121.688   19.761   96.041   25.189 25.64726 32.01587 
1 1 1    6    9   61 o   73.570   15.866   14.919   5.9027   12.867   7.7305   17.787   9.1410   68.276   21.614   78.864   23.231 -10.58833 31.73114 
1 1 1    6    9   62 o   71.699   15.916   14.800   6.1530   17.846   7.8184   9.8439   9.9729   80.250   20.708   63.149   24.176 17.10152 31.83215 
1 1 1    6    9   63 f  104.152   16.693   34.949   7.5646   38.917   8.8883   24.523   14.408  123.014   15.460   85.290   29.590 37.72385 33.38590 
1 1 1    6    9   64 o   69.370   15.642   9.3927   6.7974  -2.2358   8.6283   28.416   11.036   42.618   19.461   96.123   24.495 -53.50591 31.28470 
1 1 1    6    9   65 o   61.565   17.517   9.3751   7.0044   7.7688   8.1644   13.854   13.633   55.529   21.707   67.602   27.500 -12.07274 35.03471 
1 1 1    6    9   66 o   74.993   15.569   17.173   6.4013   27.754   9.4973   8.3653   8.6655   94.646   21.905   55.339   22.131 39.30672 31.13856 
1 1 1    6    9   67 o   38.832   12.545  -3.8686   5.8155   3.7819   6.7476 -25.9644   11.467   44.842   18.886   32.822   16.516 12.01974 25.08920 
1 1 1    6    9   68 o   64.622   15.433   15.029   6.5143   19.581   7.5552   1.8407   12.861   79.053   20.334   50.192   23.223 28.86091 30.86693 
1 1 1    6    9   69 o   49.539   15.969   4.0394   8.2864  -0.9937   11.613   9.2594   11.827   44.832   21.167   54.245   23.917 -9.413395 31.93866 
1 1 1    6   10    0 o  344.048   19.225  283.315   43.088  283.315   43.088  283.315   43.088  344.048   27.188  344.048   27.188 -0.000000 0.000000 
1 1 1    6   10    1 o  295.662   16.301  205.981   22.523  203.771   31.850  208.192   31.856  294.062   23.175  297.262   22.930 -3.199280 32.60168 
1 1 1    6   10    2 o  1307.20   81.086  4815.38  492.527  4320.74  696.525  5310.07  696.552  1226.24  121.540  1388.17  107.366 -161.9294 162.1711 
1 1 1    6   10    3 o  593.229   30.203  845.678   83.665  806.510  118.314  884.854  118.326  579.101   43.716  607.357   41.686 -28.25598 60.40541 
1 1 1    6   10    4 o  575.317   36.186  775.417   93.011  901.135  161.132  712.595  113.903  606.513   56.846  544.121   44.792 62.39197 72.37213 
1 1 1    6   10    5 o  319.478   15.358  237.295   22.570  255.827   35.727  224.986   29.116  329.581   23.195  309.375   20.137 20.20599 30.71672 
1 1 1    6   10    6 o  662.253   32.830  1064.31   99.066  1019.56  156.652  1094.13  127.886  648.167   51.714  676.339   40.459 -28.17224 65.66000 
1 1 1    6   10    7 o  134.919   13.561   42.646   8.5506   0.0000   0.0000   42.646   8.5506  ?   ?   134.919   13.561      ?      ? 
1 1 1    6   10    8 o  677.179   34.621  985.865   98.885  1406.07  197.894  846.028  114.159  759.549   55.749  594.809   41.067 164.7403 69.24154 
1 1 1    6   10    9 o  137.172   14.220   46.954   8.0773   39.509   14.087   50.600   9.8591  127.398   24.550  146.946   14.356 -19.54837 28.43923 
1 1 1    6   10   10 o  439.151   26.569  454.992   54.529   0.0000   0.0000  454.992   54.529  ?   ?   439.151   26.569      ?      ? 
1 1 1    6   10   11 o  511.960   27.700  625.969   66.165  584.803   93.569  667.139   93.574  494.755   40.467  529.166   37.837 -34.41138 55.40060 
1 1 1    6   10   12 o  779.735   39.407  1513.45  138.078  1054.55  195.197  1973.05  195.346  653.722   63.890  905.748   46.148 -252.0257 78.81403 
1 1 1    6   10   13 o  432.438   43.760  481.970   80.783  664.852  114.200  298.802  114.289  525.619   46.489  339.258   74.153 186.3613 87.52071 
1 1 1    6   10   14 o  585.885   39.912  828.083  103.419  808.044  126.680  868.129  179.077  579.274   46.793  592.495   64.672 -13.22046 79.82482 
1 1 1    6   10   15 o  245.740   15.619  142.082   17.938  141.362   25.324  142.808   25.412  245.114   22.107  246.367   22.070 -1.253311 31.23800 
1 1 1    6   10   16 o  485.466   32.469  565.115   69.502  574.097  120.303  560.616   85.149  485.999   52.966  484.933   37.571 1.065857 64.93856 
1 1 1    6   10   17 o  401.781   30.673  382.350   57.596   0.0000   0.0000  382.350   57.596  ?   ?   401.781   30.673      ?      ? 
1 1 1    6   10   18 o  272.409   21.932  175.933   27.889  166.090   39.417  185.800   39.465  264.670   31.867  280.148   30.143 -15.47778 43.86428 
1 1 1    6   10   19 o  710.164   81.279  1291.76  269.762   0.0000   0.0000  1291.76  269.762  ?   ?   710.164   81.279      ?      ? 
1 1 1    6   10   20 o  356.495   25.430  322.244   38.358  357.165   47.021  252.775   66.320  388.923   25.869  324.066   43.789 64.85645 50.85984 
1 1 1    6   10   21 f  477.506   37.711  546.750   84.158  546.750   84.158   0.0000   0.0000  477.506   37.711  ?   ?       ?      ? 
1 1 1    6   10   22 o  305.246   25.343  223.986   36.025  244.142   50.793  203.584   51.102  319.486   34.018  291.007   37.575 28.47873 50.68610 
1 1 1    6   10   23 o  101.426   14.213   24.561   5.6987   24.424   6.5305   24.997   11.668  102.038   13.694  100.813   24.910 1.225311 28.42625 
1 1 1    6   10   24 o  342.476   27.561  283.017   44.111  285.516   62.281  280.501   62.485  344.061   38.732  340.891   39.221 3.169617 55.12251 
1 1 1    6   10   25 o  282.901   20.278  191.062   25.212  188.914   43.673  192.136   30.876  280.801   33.279  285.002   23.181 -4.201324 40.55659 
1 1 1    6   10   26 o  165.082   11.797   64.103   9.0998   65.662   12.876   62.548   12.862  167.099   16.488  163.064   16.877 4.034637 23.59467 
1 1 1    6   10   27 o  260.588   14.206  161.594   16.865  166.838   21.768  153.720   26.674  266.224   17.495  254.951   22.387 11.27324 28.41232 
1 1 1    6   10   28 o  396.575   21.032  376.270   38.973  384.762   55.157  367.803   55.076  401.143   29.421  392.006   30.063 9.136658 42.06372 
1 1 1    6   10   29 f   51.458   10.941   4.0084   3.2372  -0.6374   4.0715   11.993   5.3376   32.935   14.286   69.981   16.575 -37.04563 21.88223 
1 1 1    6   10   30 o  155.604   11.028   59.456   7.5928   66.768   9.7052   47.920   12.190  168.676   12.311  142.533   18.300 26.14282 22.05600 
1 1 1    6   10   31 o  218.367   14.882  108.038   14.402   98.102   17.434  129.384   25.554  203.689   18.314  233.044   23.463 -29.35519 29.76433 
1 1 1    6   10   32 o  202.041   11.895   97.421   10.932  100.400   14.068   92.881   17.369  206.289   14.592  197.793   18.790 8.496292 23.79032 
1 1 1    6   10   33 o  312.230   15.764  231.086   22.606  221.934   29.134  244.932   35.837  305.121   20.431  319.340   24.012 -14.21890 31.52794 
1 1 1    6   10   34 o  146.814   11.885   47.140   7.1670   43.285   8.2044   59.557   14.725  135.537   12.952  158.091   19.930 -22.55441 23.76910 
1 1 1    6   10   35 o  249.394   13.105  145.298   15.043  133.699   19.364  162.950   23.888  237.315   17.460  261.474   19.548 -24.15866 26.21004 
1 1 1    6   10   36 o  188.497   11.634   86.436   9.8656   93.800   12.707   75.262   15.653  199.306   13.643  177.688   18.849 21.61815 23.26796 
1 1 1    6   10   37 o  217.128   13.295  112.965   13.402   97.538   18.821  128.831   19.088  201.743   19.962  232.513   17.566 -30.77022 26.59023 
1 1 1    6   10   38 o   56.264   11.968   6.8901   3.4268   4.3636   4.3493   11.026   5.5646   45.795   16.230   66.733   17.592 -20.93795 23.93530 
1 1 1    6   10   39 o  242.740   19.010  147.676   20.034  138.796   34.833  152.066   24.490  234.627   31.767  250.853   20.889 -16.22562 38.01953 
1 1 1    6   10   41 o  144.223   16.170   49.735   10.899   49.735   10.899   0.0000   0.0000  144.223   16.170  ?   ?       ?      ? 
1 1 1    6   10   42 o  273.673   23.279  184.099   29.774  184.099   29.774   0.0000   0.0000  273.673   23.279  ?   ?       ?      ? 
1 1 1    6   10   43 o  213.331   20.469  116.079   20.369  123.569   28.792  108.576   28.819  220.859   27.895  205.803   29.963 15.05623 40.93792 
1 1 1    6   10   44 o   76.718   13.472   15.102   4.9710   20.164   6.9011   9.6427   7.1666   89.964   17.037   63.472   20.873 26.49202 26.94350 
1 1 1    6   10   45 o  228.442   13.466  128.426   13.996  133.173   18.081  121.330   22.105  234.955   16.466  221.928   21.313 13.02693 26.93273 
1 1 1    6   10   46 o  158.604   10.707   59.314   7.8078   54.675   10.029   66.451   12.441  151.133   14.199  166.075   16.029 -14.94154 21.41307 
1 1 1    6   10   47 o  120.341   16.171   42.368   7.4054   47.576   8.5510   26.742   14.811  141.040   12.973   99.642   29.627 41.39876 32.34265 
1 1 1    6   10   48 o   77.560   13.033   15.840   4.8559   20.173   6.3605   9.7851   7.5182   91.381   14.893   63.740   21.393 27.64132 26.06642 
1 1 1    6   10   49 o  229.997   13.358  129.627   14.083  127.536   18.180  132.763   22.268  228.783   17.003  231.212   20.608 -2.429108 26.71699 
1 1 1    6   10   50 o   48.818   13.345   3.5935   4.3590   1.4433   5.7572   6.4820   6.6728   42.483   17.636   55.152   20.034 -12.66863 26.69062 
1 1 1    6   10   51 o  169.011   11.889   71.682   9.0241   80.371   11.773   59.306   14.050  182.930   13.771  155.092   19.385 27.83728 23.77827 
1 1 1    6   10   52 o  121.273   11.493   36.436   6.3877   38.839   8.4482   33.228   9.7603  126.627   14.276  115.919   18.016 10.70851 22.98652 
1 1 1    6   10   53 o   67.137   14.409   11.256   4.8979   9.7150   6.5068   13.271   7.4402   62.490   19.835   71.784   20.906 -9.294350 28.81792 
1 1 1    6   10   54 o   34.374   11.122  -4.1788   4.1519  -0.7870   5.6175  -8.2624   6.1638   37.900   16.603   30.848   14.801 7.052208 22.24315 
1 1 1    6   10   55 o   92.905   15.256   15.430   7.0092   45.168   13.448   4.3377   8.2130  132.607   21.699   53.204   21.451 79.40341 30.51193 
1 1 1    6   10   56 o  143.732   15.039   48.651   9.5408   68.267   17.346   40.143   11.424  161.619   22.965  125.845   19.424 35.77483 30.07782 
1 1 1    6   10   58 o   56.522   20.999   7.1941   7.3976   7.1941   7.3976   0.0000   0.0000   56.522   20.999  ?   ?       ?      ? 
1 1 1    6   10   59 o  141.727   13.619   51.593   8.9497   60.490   13.047   43.686   12.300  153.985   18.130  129.468   20.328 24.51637 27.23787 
1 1 1    6   10   60 o   85.401   16.798   20.919   6.9405   21.879   10.120   20.067   9.5363   87.062   24.068   83.739   23.441 3.322891 33.59671 
1 1 1    6   10   61 o   65.359   17.705   9.6021   7.0670   15.204   12.865   7.1811   8.4574   73.714   27.631   57.005   22.146 16.70873 35.41071 
1 1 1    6   10   62 o   86.132   17.783   23.054   7.7407   25.952   9.7323   18.065   12.770   95.346   22.248   76.918   27.750 18.42824 35.56683 
1 1 1    6   10   63 o   66.126   15.043   11.839   6.5354   21.733   8.6212  -1.5283   10.021   86.058   21.498   46.194   21.047 39.86303 30.08541 
1 1 1    6   10   64 o   55.045   15.813   6.5625   6.3694   7.1446   8.7945   5.9202   9.2371   55.747   22.295   54.344   22.431 1.402920 31.62601 
1 1 1    6   10   65 o   68.911   19.332   8.4642   7.9877   1.3726   8.9453   36.368   17.744   46.145   20.549   91.676   32.750 -45.53141 38.66304 
1 1 1    6   10   66 o   51.069   16.310   3.7688   7.6416   5.9422   8.4787  -5.6377   17.639   50.831   21.277   51.306   24.725 -0.4750290 32.61946 
1 1 1    6   10   67 o   71.044   19.725   19.607   10.558   32.324   14.853   6.6208   15.009   86.203   30.037   55.884   25.575 30.31860 39.44963 
1 1 1    6   10   68 o   40.359   13.566  -3.9927   6.1930   0.5018   11.416  -5.8671   7.3721   46.673   21.693   34.045   16.296 12.62848 27.13222 
1 1 1    6   11    0 o  607.449   33.018  889.956  130.760  889.956  130.760  889.956  130.760  607.449   46.694  607.449   46.694 -0.000000 0.000000 
1 1 1    6   11    1 o  424.491   27.137  419.929   51.238  460.878   88.758  399.462   62.750  438.517   43.309  410.466   32.711 28.05142 54.27386 
1 1 1    6   11    2 o  415.889   22.110  413.810   42.266  328.585   59.743  499.205   59.803  372.000   34.364  459.777   27.831 -87.77747 44.22055 
1 1 1    6   11    3 o  184.909   17.371   90.062   12.777   61.911   22.146  104.106   15.643  159.108   30.897  210.710   15.885 -51.60188 34.74115 
1 1 1    6   11    4 o  272.325   13.625  171.378   17.084  190.027   27.059  159.019   22.029  284.365   20.361  260.285   18.109 24.08075 27.24918 
1 1 1    6   11    5 o  719.111   42.587  1205.81  126.302  1406.45  252.671  1138.98  145.827  749.653   72.119  688.569   45.316 61.08435 85.17471 
1 1 1    6   11    6 f  306.648   21.691  239.282   25.761  192.049   51.514  255.034   29.748  283.771   38.843  329.525   19.317 -45.75369 43.38136 
1 1 1    6   11    7 o  361.047   28.469  315.940   46.872  237.922   66.238  394.185   66.335  314.749   45.030  407.345   34.845 -92.59683 56.93712 
1 1 1    6   11    8 o  360.275   24.717  317.327   35.387  291.002   70.825  326.085   40.852  348.397   43.498  372.152   23.488 -23.75601 49.43434 
1 1 1    6   11    9 o  842.398   57.480  1891.58  187.753  1633.86  375.516  1977.48  216.797  781.147  102.861  903.650   51.335 -122.5026 114.9595 
1 1 1    6   11   10 o  432.406   26.943  426.805   52.171  511.904   90.406  384.316   63.881  462.472   41.828  402.339   33.973 60.13315 53.88651 
1 1 1    6   11   11 o  325.998   22.050  263.743   30.801  219.220   53.176  286.222   37.785  303.322   37.512  348.674   23.187 -45.35190 44.09985 
1 1 1    6   11   12 o  385.962   20.925  353.849   37.498  400.075   53.046  307.680   53.014  411.572   27.578  360.352   31.479 51.21948 41.85070 
1 1 1    6   11   13 o  399.051   27.131  378.366   47.800  384.741   82.623  375.158   58.602  400.231   44.172  397.871   31.516 2.359680 54.26261 
1 1 1    6   11   14 o  229.444   14.559  121.078   14.941  132.924   25.595  114.955   18.402  237.595   23.050  221.293   17.793 16.30228 29.11864 
1 1 1    6   11   15 o  347.414   36.162  307.198   53.914  421.299   76.136  192.437   76.356  420.062   38.782  274.766   61.047 145.2955 72.32460 
1 1 1    6   11   16 o   87.533   12.490   18.587   5.0087   12.523   7.0101   24.913   7.1591   71.977   20.079  103.089   14.859 -31.11201 24.97970 
1 1 1    6   11   17 o  544.198   42.714  730.262  108.333  670.685  153.198  789.852  153.214  520.772   62.945  567.624   57.756 -46.85193 85.42722 
1 1 1    6   11   18 o  211.661   17.730  105.213   17.539  105.213   17.539   0.0000   0.0000  211.661   17.730  ?   ?       ?      ? 
1 1 1    6   11   19 o  612.176   51.892  964.659  147.951  881.057  209.326  1048.11  209.143  582.953   76.833  641.398   69.771 -58.44470 103.7845 
1 1 1    6   11   20 o  545.536   27.666  717.374   70.490  746.198   99.672  688.531   99.705  556.848   38.300  534.224   39.935 22.62408 55.33208 
1 1 1    6   11   21 o  803.596   72.919  1863.65  251.680  1285.82  355.832  2442.09  356.025  645.374  122.455  961.817   79.204 -316.4434 145.8372 
1 1 1    6   11   22 o  334.083   25.729  276.895   37.009  293.258   45.244  243.810   64.335  351.439   27.547  316.728   43.463 34.71155 51.45736 
1 1 1    6   11   23 o  302.183   24.744  219.318   34.937  223.904   49.301  214.693   49.515  305.462   34.535  298.904   35.446 6.558258 49.48802 
1 1 1    6   11   24 o  572.198   40.841  858.909   99.504  724.655  172.329  926.057  121.874  527.609   69.888  616.786   42.280 -89.17743 81.68204 
1 1 1    6   11   25 o  189.000   19.467   96.977   14.417   61.999   25.101  114.197   17.612  157.693   34.975  220.307   17.105 -62.61354 38.93415 
1 1 1    6   11   26 o  417.509   33.854  431.276   65.969  455.023   93.228  407.461   93.360  429.714   46.422  405.304   49.288 24.40936 67.70731 
1 1 1    6   11   27 o  250.048   13.751  147.645   16.068  144.827   22.688  150.481   22.759  247.633   19.604  252.463   19.290 -4.830170 27.50259 
1 1 1    6   11   28 o  460.185   24.483  521.097   50.908  557.289   65.712  466.770   80.509  482.719   29.128  437.652   39.361 45.06735 48.96689 
1 1 1    6   11   29 o  374.420   26.379  354.102   38.813  366.804   44.774  315.696   77.856  392.724   24.395  356.116   46.780 36.60858 52.75820 
1 1 1    6   11   30 o  242.061   16.519  139.673   16.169  139.504   18.681  140.178   32.284  243.050   16.446  241.073   28.654 1.976425 33.03838 
1 1 1    6   11   31 o  111.712   13.116   28.346   5.7112   26.769   6.4972   33.706   11.979  106.610   13.040  116.815   22.760 -10.20467 26.23131 
1 1 1    6   11   32 o  276.692   19.726  181.512   24.239  199.252   42.076  172.700   29.654  285.161   31.572  268.222   23.657 16.93933 39.45171 
1 1 1    6   11   33 o  478.794   29.253  554.897   57.436  526.446   66.279  640.688  115.093  463.890   30.572  493.697   49.882 -29.80704 58.50525 
1 1 1    6   11   34 o  118.776   12.153   29.731   5.6312   27.052   6.2844   40.646   12.685  107.151   12.549  130.401   20.815 -23.25014 24.30550 
1 1 1    6   11   35 o   90.649   12.513   16.267   4.4563   12.803   5.0154   29.257   9.7121   72.204   15.336  109.094   19.777 -36.89036 25.02675 
1 1 1    6   11   36 o   85.068   12.296   17.898   4.8952   28.228   7.0878   8.4774   6.7689  109.225   13.885   60.912   20.298 48.31350 24.59249 
1 1 1    6   11   37 o  222.952   13.553  119.343   14.121  118.971   19.872  119.722   20.071  222.622   19.099  223.282   19.234 -0.6604767 27.10579 
1 1 1    6   11   38 o  170.825   11.961   69.715   9.5486   69.558   13.424   69.876   13.585  170.649   16.832  171.001   16.999 -0.3523407 23.92227 
1 1 1    6   11   39 o  241.256   17.352  137.648   18.670  126.615   22.825  159.958   32.456  228.539   21.370  253.973   27.344 -25.43404 34.70459 
1 1 1    6   11   40 o  119.717   12.750   32.616   6.8697   28.072   8.4408   41.532   11.823  108.272   16.681  131.162   19.287 -22.89002 25.49998 
1 1 1    6   11   41 o   67.895   19.439   11.446   6.4823   11.446   6.4823   0.0000   0.0000   67.895   19.439  ?   ?       ?      ? 
1 1 1    6   11   42 o  119.675   15.788   38.221   7.7638   41.833   9.3321   30.100   13.993  132.184   15.106  107.165   27.727 25.01893 31.57523 
1 1 1    6   11   43 o  188.250   12.771   86.111   11.233   83.866   15.911   88.341   15.859  185.695   18.334  190.806   17.785 -5.111176 25.54289 
1 1 1    6   11   44 o  126.883   12.475   40.012   6.9810   28.950   9.7782   51.511   9.9698  107.150   20.269  146.616   14.550 -39.46607 24.95067 
1 1 1    6   11   45 o  150.179   10.843   54.689   7.4066   56.623   9.5518   51.774   11.729  154.055   13.267  146.304   17.155 7.750961 21.68619 
1 1 1    6   11   46 o  186.044   11.579   83.236   9.8911   80.603   12.764   87.194   15.649  182.947   14.928  189.142   17.704 -6.194946 23.15772 
1 1 1    6   11   47 o  160.853   12.312   63.646   9.1618   73.270   12.916   53.899   12.998  173.760   15.905  147.946   18.799 25.81438 24.62444 
1 1 1    6   11   48 o   85.519   13.898   19.076   5.6171   13.016   8.4374   23.900   7.5278   71.822   22.561   99.216   16.235 -27.39356 27.79531 
1 1 1    6   11   49 o  169.692   11.195   68.244   8.7327   61.699   11.194   78.422   13.959  159.846   14.984  179.538   16.636 -19.69180 22.38925 
1 1 1    6   11   50 o  122.143   12.299   39.112   6.3598   47.892   8.3633   27.072   9.7935  141.531   12.644  102.755   21.100 38.77509 24.59821 
1 1 1    6   11   51 o   99.984   13.799   26.490   6.2275   15.876   9.0123   36.188   8.6151   77.920   23.097  122.048   15.104 -44.12823 27.59734 
1 1 1    6   11   52 o   57.668   14.204   7.3677   4.6718   5.5805   6.0975   9.9082   7.2698   51.817   19.101   63.519   21.029 -11.70192 28.40890 
1 1 1    6   11   53 o   96.435   15.815   23.243   6.3318   21.815   7.3542   27.335   12.448   92.707   17.618  100.162   26.268 -7.455070 31.62904 
1 1 1    6   11   54 o   61.760   14.211   8.4039   4.8819   4.1007   6.3351   14.696   7.6602   48.786   19.107   74.735   21.040 -25.94842 28.42115 
1 1 1    6   11   55 o   67.008   17.241   8.2802   6.6289   18.299   12.286   4.1661   7.8731   81.924   27.348   52.092   21.002 29.83203 34.48200 
1 1 1    6   11   56 o  105.512   17.379   30.455   9.8588   52.846   14.056   8.7749   13.831  143.057   21.024   67.966   27.679 75.09116 34.75871 
1 1 1    6   11   57 o   57.458   19.985   8.0469   6.5742   8.0469   6.5742   0.0000   0.0000   57.458   19.985  ?   ?       ?      ? 
1 1 1    6   11   58 o   33.463   11.578 -18.5324   6.3882  -7.0489   8.4336 -33.9905   9.7848   38.809   18.234   28.117   14.273 10.69199 23.15641 
1 1 1    6   11   59 o   73.688   17.249   15.634   6.9413   17.714   8.2943   10.774   12.681   79.876   21.669   67.500   26.844 12.37603 34.49866 
1 1 1    6   11   60 o   53.059   14.838   5.4101   5.6074   1.6187   8.6718   8.1345   7.3511   48.585   20.961   57.533   21.008 -8.948940 29.67683 
1 1 1    6   11   61 o  117.860   12.524   35.855   6.8050   34.651   8.8757   37.571   10.599  116.372   16.320  119.348   19.003 -2.975952 25.04893 
1 1 1    6   11   62 o   65.020   15.814   11.946   5.8491   14.944   8.6615   9.4329   7.9306   70.849   22.927   59.190   21.789 11.65892 31.62896 
1 1 1    6   11   63 o   58.227   17.191   6.9385   7.4566   6.0042   9.1507   8.7850   12.864   54.386   22.373   62.067   26.106 -7.681133 34.38119 
1 1 1    6   11   64 o   68.264   16.171   12.401   5.8199   8.2415   7.0005   21.708   10.472   55.139   20.439   81.388   25.065 -26.24950 32.34193 
1 1 1    6   11   65 o   45.055   14.140   0.4752   6.2514   5.7206   8.4132  -5.9908   9.3409   50.743   21.213   39.367   18.703 11.37693 28.28063 
1 1 1    6   11   66 o   64.368   16.494   13.860   6.5154   10.247   9.0475   17.752   9.3903   57.436   22.728   71.300   23.908 -13.86357 32.98713 
1 1 1    6   11   67 o   38.455   12.816  -4.2986   5.9931  -7.0782   8.3283  -1.3135   8.6308   35.605   17.116   41.306   19.081 -5.701050 25.63237 
1 1 1    6   11   68 o   39.898   12.864  -0.4875   5.4287  -4.6125   7.6320   3.7373   7.7237   35.239   16.788   44.558   19.496 -9.318783 25.72804 
1 1 1    6   12    0 o  140.404   10.445   47.643   9.4469   47.643   9.4469   47.643   9.4469  140.404   14.771  140.404   14.771 -0.000000 0.000000 
1 1 1    6   12    1 o  563.470   38.949  786.154   95.492  733.833  165.389  812.319  116.956  544.728   64.966  582.212   42.983 -37.48389 77.89808 
1 1 1    6   12    2 o  407.795   22.099  394.180   42.059  370.755   59.475  417.614   59.486  395.502   32.177  420.089   30.299 -24.58624 44.19706 
1 1 1    6   12    3 o  281.127   15.671  187.100   20.390  157.286   28.827  216.947   28.843  258.423   23.869  303.831   20.313 -45.40805 31.34194 
1 1 1    6   12    4 o  423.108   23.728  430.146   45.998  333.983   65.053  526.296   65.048  374.480   37.170  471.736   29.505 -97.25601 47.45691 
1 1 1    6   12    5 o  154.214   9.5238   56.762   6.6439   51.149   10.535   60.469   8.5610  147.709   15.261  160.719   11.398 -13.00929 19.04751 
1 1 1    6   12    6 o  336.044   22.623  273.141   30.361  256.898   60.777  278.542   35.048  327.977   39.651  344.111   21.793 -16.13416 45.24540 
1 1 1    6   12    7 o  156.107   12.963   59.097   8.0064   53.658   16.126   60.876   9.2234  150.980   22.855  161.234   12.240 -10.25418 25.92592 
1 1 1    6   12    8 o  444.338   34.267  469.042   71.160   0.0000   0.0000  469.042   71.160  ?   ?   444.338   34.267      ?      ? 
1 1 1    6   12    9 o  269.599   21.469  170.963   27.050   0.0000   0.0000  170.963   27.050  ?   ?   269.599   21.469      ?      ? 
1 1 1    6   12   10 o  386.613   24.932  352.400   45.048   0.0000   0.0000  352.400   45.048  ?   ?   386.613   24.932      ?      ? 
1 1 1    6   12   11 o  895.976   69.441  2006.78  290.772   0.0000   0.0000  2006.78  290.772  ?   ?   895.976   69.441      ?      ? 
1 1 1    6   12   12 o  567.791   36.265  749.172   92.230  898.300  159.634  674.451  112.998  606.265   56.340  529.318   45.678 76.94775 72.53092 
1 1 1    6   12   13 o  171.197   15.571   68.983   12.453   71.189   17.606   66.775   17.617  173.956   21.656  168.439   22.379 5.516724 31.14162 
1 1 1    6   12   14 o  139.557   13.883   45.782   9.0484   43.660   12.764   47.926   12.829  136.289   20.040  142.826   19.219 -6.536743 27.76639 
1 1 1    6   12   15 o  307.929   24.842  225.895   35.736  219.577   50.659  232.153   50.419  303.545   35.710  312.312   34.543 -8.766663 49.68311 
1 1 1    6   12   16 o  275.573   19.016  174.703   23.382  163.809   28.659  196.392   40.436  263.516   23.271  287.630   30.081 -24.11337 38.03181 
1 1 1    6   12   17 o  425.408   29.116  433.058   54.745  424.981   67.068  449.185   94.765  421.690   34.031  429.126   47.252 -7.435699 58.23153 
1 1 1    6   12   18 o  224.174   18.112  120.881   17.700  113.664   30.738  124.461   21.650  218.520   30.098  229.827   20.157 -11.30687 36.22445 
1 1 1    6   12   19 f  243.257   14.239  134.279   15.323  124.429   18.564  155.340   27.144  230.045   17.267  256.468   22.647 -26.42264 28.47814 
1 1 1    6   12   20 o  155.086   16.833   59.138   11.113   31.761   15.145   91.066   16.356  113.424   28.583  196.748   17.788 -83.32369 33.66557 
1 1 1    6   12   21 o  268.859   22.890  174.977   28.187  214.368   39.898  135.725   39.827  300.148   28.443  237.570   35.871 62.57776 45.77908 
1 1 1    6   12   22 o  100.437   16.754   24.882   7.7619   28.055   10.924   21.647   11.030  106.973   22.561   93.901   24.776 13.07219 33.50872 
1 1 1    6   12   23 o  415.260   32.009  433.197   57.445  390.603   99.582  454.440   70.326  395.597   53.862  434.924   34.599 -39.32693 64.01736 
1 1 1    6   12   24 o  257.189   19.946  164.253   21.974  139.735   38.196  176.381   26.864  241.133   33.893  273.245   21.037 -32.11287 39.89119 
1 1 1    6   12   25 o  335.955   24.780  284.534   35.547  306.419   43.450  240.236   61.817  358.835   25.909  313.075   42.249 45.76071 49.56066 
1 1 1    6   12   26 o  281.752   18.326  179.419   23.088  158.484   28.163  222.325   40.318  258.461   23.315  305.043   28.281 -46.58209 36.65279 
1 1 1    6   12   27 o  231.559   17.587  127.732   17.897  126.711   31.035  128.241   21.906  230.179   28.850  232.939   20.122 -2.760513 35.17444 
1 1 1    6   12   28 o  360.211   20.596  314.596   34.212  371.515   48.354  257.538   48.413  394.070   26.255  326.353   31.742 67.71701 41.19293 
1 1 1    6   12   29 o   72.159   11.815   12.645   3.9224   10.077   5.3184   15.706   5.8079   64.176   17.327   80.142   16.066 -15.96608 23.62947 
1 1 1    6   12   30 o  203.675   14.588   96.355   13.276   90.634   16.311  107.581   22.850  195.460   17.856  211.889   23.074 -16.42911 29.17630 
1 1 1    6   12   31 o  204.457   12.859   99.304   12.283  100.915   17.251   97.648   17.494  206.190   17.902  202.724   18.465 3.466599 25.71806 
1 1 1    6   12   32 o  117.559   14.458   32.545   6.8970   31.363   8.0407   35.835   13.417  115.198   14.935  119.920   24.761 -4.722229 28.91628 
1 1 1    6   12   33 o  233.742   14.163  117.407   13.825  103.440   15.895  160.781   28.011  208.905   16.281  258.578   23.179 -49.67387 28.32577 
1 1 1    6   12   34 o  191.868   12.734   87.732   11.412   89.997   16.020   85.398   16.260  194.461   17.627  189.276   18.382 5.184311 25.46768 
1 1 1    6   12   35 o  237.845   14.248  135.883   15.829  131.085   22.436  140.639   22.335  233.533   20.557  242.158   19.736 -8.624985 28.49673 
1 1 1    6   12   36 o  166.527   17.531   72.007   11.900   77.457   14.407   60.302   21.114  180.058   17.120  152.995   30.598 27.06302 35.06221 
1 1 1    6   12   37 o  123.069   11.103   36.474   6.3114   41.019   8.7056   31.439   9.1632  131.457   14.170  114.682   17.097 16.77440 22.20548 
1 1 1    6   12   38 o  216.926   18.071  112.947   18.320  112.947   18.320   0.0000   0.0000  216.926   18.071  ?   ?       ?      ? 
1 1 1    6   12   39 o   89.770   20.741   20.291   8.5268   20.291   8.5268   0.0000   0.0000   89.770   20.741  ?   ?       ?      ? 
1 1 1    6   12   40 o  176.600   24.644   77.155   20.340   77.155   20.340   0.0000   0.0000  176.600   24.644  ?   ?       ?      ? 
1 1 1    6   12   41 o  350.841   27.562  342.802   37.448  352.817   43.219  312.633   75.013  376.421   24.567  325.260   49.347 51.16077 55.12423 
1 1 1    6   12   42 f  179.346   19.043   82.772   15.459   94.823   21.994   71.005   21.734  194.613   24.182  164.079   29.424 30.53413 38.08556 
1 1 1    6   12   43 o  156.809   12.133   60.031   8.7332   47.261   12.302   73.006   12.400  139.266   18.901  174.352   15.218 -35.08669 24.26570 
1 1 1    6   12   44 o  318.626   17.508  261.239   24.994  285.854   32.270  224.334   39.514  341.515   20.219  295.737   28.589 45.77737 35.01646 
1 1 1    6   12   45 o  120.147   14.259   32.512   7.4582   24.780   8.9993   49.468   13.327   98.679   20.194  141.615   20.137 -42.93560 28.51821 
1 1 1    6   12   46 o  140.719   10.623   47.506   6.8385   46.163   8.7646   49.596   10.933  138.637   13.527  142.801   16.382 -4.163986 21.24536 
1 1 1    6   12   47 o   77.579   12.192   15.557   5.1233   27.772   7.0149   1.5930   7.5005  107.475   13.966   47.683   19.989 59.79149 24.38428 
1 1 1    6   12   48 o   58.426   14.687   7.2912   4.5669   6.9650   5.2823   8.2570   9.0882   54.238   17.924   62.614   23.272 -8.376575 29.37469 
1 1 1    6   12   49 o  112.317   12.370   31.194   6.3210   34.655   8.9890   27.808   8.8904  119.560   16.087  105.074   18.794 14.48658 24.73920 
1 1 1    6   12   50 o   82.891   12.201   15.863   4.8952   5.9752   6.3177   30.718   7.7437   53.171   19.466  112.611   14.714 -59.44039 24.40147 
1 1 1    6   12   51 o   66.860   15.050   11.970   5.2795   14.282   5.9895   3.9130   11.180   74.813   17.450   58.908   24.525 15.90502 30.09965 
1 1 1    6   12   52 o   56.296   13.913   6.6625   4.4848   4.3384   5.7314   10.333   7.2028   48.186   18.356   64.406   20.913 -16.21989 27.82652 
1 1 1    6   12   53 o   39.384   11.724  -2.2702   4.3822   4.8322   5.6659 -12.8440   6.9132   48.973   18.341   29.795   14.607 19.17748 23.44704 
1 1 1    6   12   54 o   81.775   17.121   18.389   6.8811   15.816   12.006   19.648   8.3972   77.497   27.004   86.053   21.053 -8.556053 34.24107 
1 1 1    6   12   55 f   68.650   18.059   10.896   7.8598   15.055   11.383   7.1051   10.866   75.482   26.294   61.818   24.761 13.66434 36.11816 
1 1 1    6   12   56 o   45.736   14.403  -3.1907   6.1214  -7.1505   7.7522   3.3677   9.9767   36.835   17.361   54.638   22.986 -17.80244 28.80591 
1 1 1    6   12   57 o   81.675   19.679   17.801   7.4227   17.801   7.4227   0.0000   0.0000   81.675   19.679  ?   ?       ?      ? 
1 1 1    6   12   58 o   44.096   14.244  -3.5106   6.3039  -4.4263   7.9462  -1.9558   10.355   39.797   18.357   48.395   21.786 -8.597870 28.48853 
1 1 1    6   12   59 o   61.696   15.422   9.9507   5.5347   9.0403   8.6064   10.593   7.2276   60.495   22.615   62.897   20.975 -2.402382 30.84448 
1 1 1    6   12   60 o   38.103   12.971 -10.8335   6.5911 -11.2278   8.4408 -10.2174   10.550   35.013   16.930   41.194   19.657 -6.181164 25.94244 
1 1 1    6   12   61 o  146.126   18.785   64.965   11.752   65.653   14.538   63.666   19.967  155.038   20.064  137.215   31.763 17.82230 37.56934 
1 1 1    6   12   62 o   51.531   15.370   2.9736   5.4980   0.7029   6.3007   10.222   11.257   40.655   17.703   62.407   25.130 -21.75177 30.73915 
1 1 1    6   12   63 o  110.053   17.620   41.553   9.1730   50.596   11.431   25.202   15.372  136.932   17.863   83.173   30.378 53.75867 35.24043 
1 1 1    6   12   64 o   57.951   15.310   9.5984   5.5677   12.565   8.4697   7.3411   7.3884   63.191   22.621   52.710   20.637 10.48142 30.62047 
1 1 1    6   12   65 o   66.854   15.901   14.858   5.9196   13.346   8.8770   16.069   7.9437   63.413   23.096   70.296   21.860 -6.883541 31.80110 
1 1 1    6   12   66 o   57.447   12.608   8.1303   4.7111   18.357   6.7608  -1.5227   6.5683   78.132   18.753   36.761   16.858 41.37113 25.21689 
1 1 1    6   12   67 o   45.072   12.182   2.5397   4.8047 -12.5916   7.9179   11.359   6.0448   30.492   15.079   59.651   19.137 -29.15917 24.36454 
1 1 1    6   13    0 o   37.254   14.507   4.4918   5.1765   4.4918   5.1765   4.4918   5.1765   37.254   20.515   37.254   20.515 -0.000000 0.000000 
1 1 1    6   13    1 o  327.093   25.999  256.279   39.382  217.055   55.659  295.601   55.729  301.406   39.513  352.780   33.802 -51.37427 51.99834 
1 1 1    6   13    2 o   99.060   14.292   24.956   6.7056   39.897   9.3669   9.2511   9.6037  130.445   15.365   67.675   24.103 62.76987 28.58349 
1 1 1    6   13    3 o  502.261   38.911  619.054   90.308  516.456  127.662  721.823  127.769  458.525   59.574  545.997   50.071 -87.47183 77.82172 
1 1 1    6   13    4 o  523.590   41.100  672.611  100.376  718.895  141.962  626.338  141.944  542.500   55.992  504.679   60.181 37.82138 82.20031 
1 1 1    6   13    5 o  194.253   17.143   88.931   15.562   90.162   21.998   87.698   22.018  195.611   24.063  192.896   24.423 2.715485 34.28608 
1 1 1    6   13    6 o  474.100   52.418  546.122  116.143   0.0000   0.0000  546.122  116.143  ?   ?   474.100   52.418      ?      ? 
1 1 1    6   13    7 o  234.307   27.761  129.716   30.399   0.0000   0.0000  129.716   30.399  ?   ?   234.307   27.761      ?      ? 
1 1 1    6   13    8 o  537.888   59.646  710.702  149.939   0.0000   0.0000  710.702  149.939  ?   ?   537.888   59.646      ?      ? 
1 1 1    6   13    9 f  429.501   47.399  445.053   95.144   0.0000   0.0000  445.053   95.144  ?   ?   429.501   47.399      ?      ? 
1 1 1    6   13   10 o  242.689   28.270  139.246   32.064   0.0000   0.0000  139.246   32.064  ?   ?   242.689   28.270      ?      ? 
1 1 1    6   13   11 o  444.464   49.251  478.768  102.305  478.768  102.305   0.0000   0.0000  444.464   49.251  ?   ?       ?      ? 
1 1 1    6   13   12 o  412.411   32.180  404.239   62.024  404.239   62.024   0.0000   0.0000  412.411   32.180  ?   ?       ?      ? 
1 1 1    6   13   13 o  661.095   47.870  1133.45  136.452  1188.29  167.141  1023.87  236.282  696.528   51.345  625.661   80.807 70.86676 95.73976 
1 1 1    6   13   14 o  191.691   16.997   86.357   15.227   86.357   15.227   0.0000   0.0000  191.691   16.997  ?   ?       ?      ? 
1 1 1    6   13   15 o  536.196   41.471  759.991   93.656  836.681  114.681  606.420  162.285  587.931   41.737  484.461   71.677 103.4696 82.94286 
1 1 1    6   13   16 o  714.683   53.303  1263.74  178.036  1263.74  178.036   0.0000   0.0000  714.683   53.303  ?   ?       ?      ? 
1 1 1    6   13   17 o  611.233   37.552  874.771  102.998  756.559  126.082  1111.92  178.581  555.350   48.578  667.117   57.278 -111.7663 75.10444 
1 1 1    6   13   18 o  295.336   28.367  220.773   35.906  300.520   50.713  140.614   50.844  354.988   30.568  235.685   47.795 119.3031 56.73412 
1 1 1    6   13   19 o  340.957   27.124  281.988   42.882  241.932   60.500  322.429   60.790  315.726   41.002  366.189   35.521 -50.46277 54.24814 
1 1 1    6   13   20 o  758.730   67.375  1632.97  237.292  1451.76  335.533  1814.28  335.629  707.634  101.458  809.826   88.680 -102.1927 134.7507 
1 1 1    6   13   21 o  423.777   34.094  442.761   67.514  435.341   95.626  450.136   95.334  420.007   48.717  427.548   47.711 -7.541718 68.18858 
1 1 1    6   13   22 o  163.062   14.332   63.415   10.129   61.018   17.901   64.543   12.285  160.450   23.872  165.673   15.867 -5.222992 28.66429 
1 1 1    6   13   23 o  186.796   12.033   82.221   10.494   77.725   14.801   86.767   14.881  181.622   17.437  191.971   16.587 -10.34940 24.06584 
1 1 1    6   13   24 o  232.042   14.416  120.613   14.963  150.601   26.129  105.979   18.252  252.130   22.175  211.953   18.426 40.17671 28.83105 
1 1 1    6   13   25 o  534.766   41.093  753.157   94.184  663.371  163.158  798.029  115.343  499.872   69.840  569.660   43.324 -69.78827 82.18668 
1 1 1    6   13   26 o  323.890   25.166  256.118   37.788  218.872   53.176  294.111   53.707  299.102   38.041  348.677   32.958 -49.57474 50.33273 
1 1 1    6   13   27 o  384.772   28.873  379.684   47.860  398.531   58.547  341.726   83.090  404.912   30.939  364.632   48.759 40.28040 57.74611 
1 1 1    6   13   28 o  379.108   20.712  322.320   35.167  255.901   42.935  457.716   61.301  324.873   28.278  433.343   30.269 -108.4699 41.42304 
1 1 1    6   13   29 o  226.723   18.620  127.590   18.259  114.434   31.630  134.166   22.361  216.178   31.308  237.269   20.166 -21.09155 37.24008 
1 1 1    6   13   30 o  505.869   37.436  683.135   82.539  673.589  142.988  687.905  101.079  491.234   62.283  520.504   41.552 -29.26981 74.87141 
1 1 1    6   13   31 o  136.127   11.324   44.864   7.0256   53.987   9.7001   34.797   10.189  151.252   13.722  121.002   18.018 30.25018 22.64866 
1 1 1    6   13   32 o  341.721   24.213  292.051   36.148  294.553   44.187  286.988   62.856  347.865   27.179  335.577   40.078 12.28821 48.42507 
1 1 1    6   13   33 o  322.946   22.862  257.117   32.495  251.955   39.692  267.611   56.590  321.385   26.426  324.507   37.314 -3.122406 45.72371 
1 1 1    6   13   34 o  398.331   30.606  437.343   51.521  366.733   89.167  472.731   63.125  361.681   52.752  434.980   31.052 -73.29910 61.21258 
1 1 1    6   13   35 o  106.169   11.463   27.172   5.4665   21.308   7.4824   33.884   8.0058   92.872   17.888  119.466   14.339 -26.59342 22.92554 
1 1 1    6   13   36 f  271.083   23.476  196.400   26.757  214.571   32.678  159.435   46.608  296.548   23.579  245.619   40.603 50.92896 46.95274 
1 1 1    6   13   37 f  195.847   15.812   92.477   13.648   90.524   16.670   96.448   23.770  194.044   18.382  197.650   25.733 -3.605774 31.62438 
1 1 1    6   13   38 o  235.536   29.650  140.041   32.638  140.041   32.638   0.0000   0.0000  235.536   29.650  ?   ?       ?      ? 
1 1 1    6   13   39 o   80.927   18.172   16.391   6.7047   16.391   6.7047   0.0000   0.0000   80.927   18.172  ?   ?       ?      ? 
1 1 1    6   13   40 o  296.300   29.339  273.039   30.185  302.285   34.861  185.439   60.333  350.925   21.256  241.675   54.693 109.2499 58.67839 
1 1 1    6   13   41 o  134.185   13.142   40.354   7.9028   30.942   9.6886   59.066   13.661  112.740   18.388  155.630   18.782 -42.89012 26.28494 
1 1 1    6   13   42 o  154.691   17.609   65.990   10.937   74.881   13.332   47.688   19.127  176.303   16.180  133.078   31.282 43.22441 35.21843 
1 1 1    6   13   43 o  151.693   12.106   56.360   8.4368   66.911   11.823   45.412   12.043  166.905   15.157  136.482   18.881 30.42262 24.21189 
1 1 1    6   13   44 o  166.007   12.246   67.130   9.4921   69.958   13.375   64.260   13.473  169.705   16.864  162.309   17.762 7.395401 24.49219 
1 1 1    6   13   45 o  122.061   10.310   34.748   5.7761   27.674   7.4686   45.276   9.1115  107.023   14.932  137.100   14.220 -30.07688 20.62000 
1 1 1    6   13   46 f   86.153   12.418   18.167   4.7605   15.632   6.1107   22.082   7.5929   78.705   17.102   93.600   18.011 -14.89509 24.83698 
1 1 1    6   13   47 o  111.057   10.608   28.776   5.4035   24.611   6.8836   35.464   8.7219  101.041   14.577  121.073   15.414 -20.03145 21.21545 
1 1 1    6   13   48 o   55.012   13.419   6.9555   4.1433   7.6327   5.2299   5.8139   6.7900   56.090   17.780   53.934   20.102 2.155392 26.83719 
1 1 1    6   13   49 o   48.814   12.356   2.0870   3.9049  -2.5847   4.8439   10.758   6.5993   32.372   14.704   65.256   19.861 -32.88403 24.71199 
1 1 1    6   13   50 o   75.100   13.371   14.261   4.5503   13.585   5.6778   15.474   7.6078   73.059   16.956   77.142   20.680 -4.082260 26.74251 
1 1 1    6   13   51 o  123.505   11.016   35.373   6.1854   26.612   7.8772   49.462   9.9893  104.331   16.155  142.680   14.981 -38.34853 22.03216 
1 1 1    6   13   52 f  149.225   15.941   59.694   9.0320   61.594   10.440   54.042   18.008  159.199   14.032  139.252   28.627 19.94612 31.88100 
1 1 1    6   13   53 f  134.559   17.754   52.903   9.9351   37.026   17.081   61.022   12.214  112.189   31.359  156.928   16.653 -44.73946 35.50711 
1 1 1    6   13   54 o   67.376   16.741   10.352   6.2443   15.539   10.910   7.8244   7.6150   76.263   25.769   58.488   21.378 17.77563 33.48251 
1 1 1    6   13   55 o   56.265   15.182   6.2329   5.8907   10.237   7.5493   0.0003   9.4189   63.432   21.436   49.098   21.505 14.33422 30.36367 
1 1 1    6   13   56 o  160.606   15.368   66.828   10.165   65.714   11.884   69.866   19.624  162.475   15.650  158.738   26.452 3.736755 30.73515 
1 1 1    6   13   57 f   44.724   13.643  -2.5484   5.1466  -7.1655   6.2948   6.7611   8.9384   31.938   15.224   57.510   22.643 -25.57182 27.28530 
1 1 1    6   13   58 o   62.033   23.211   9.6388   9.0699   9.6388   9.0699   0.0000   0.0000   62.033   23.211  ?   ?       ?      ? 
1 1 1    6   13   59 o   73.303   17.492   15.450   7.1103   16.992   8.8454   12.635   11.953   77.384   22.869   69.222   26.475 8.162155 34.98462 
1 1 1    6   13   60 f   69.501   18.582   13.593   8.4267   9.4924   12.022   17.553   11.815   63.265   25.790   75.737   26.760 -12.47182 37.16438 
1 1 1    6   13   61 o   90.937   13.856   17.587   7.2916  -1.3585   9.0984   51.600   12.191   44.490   20.187  137.385   18.987 -92.89510 27.71297 
1 1 1    6   13   62 o   71.063   15.530   14.570   5.6871   18.144   8.6279   11.824   7.5626   77.953   22.458   64.173   21.456 13.78019 31.06007 
1 1 1    6   13   63 o   31.816   10.820  -6.1287   4.3650  -7.7406   7.8134  -5.3975   5.2628   34.579   16.611   29.052   13.869 5.526770 21.63945 
1 1 1    6   13   64 o   73.427   15.006   16.971   5.4977   20.276   7.9853   13.991   7.5803   80.605   20.990   66.250   21.449 14.35479 30.01118 
1 1 1    6   13   65 o   71.071   14.462   16.054   5.1186   18.260   7.1698   13.762   7.3098   76.830   19.833   65.313   21.054 11.51743 28.92448 
1 1 1    6   13   66 o   53.867   14.673   8.5416   5.2954   12.254   7.8669   5.4658   7.1605   60.352   21.779   47.382   19.669 12.96977 29.34575 
1 1 1    6   14    3 o  524.299   58.208  675.106  142.627   0.0000   0.0000  675.106  142.627  ?   ?   524.299   58.208      ?      ? 
1 1 1    6   14    4 o  572.018   63.956  812.573  170.976   0.0000   0.0000  812.573  170.976  ?   ?   572.018   63.956      ?      ? 
1 1 1    6   14    5 o  477.220   43.987  586.288   90.082  380.863  127.411  791.608  127.378  382.508   73.948  571.932   47.655 -189.4238 87.97326 
1 1 1    6   14    6 o  318.129   35.892  241.469   53.364  241.469   53.364   0.0000   0.0000  318.129   35.892  ?   ?       ?      ? 
1 1 1    6   14    7 o  209.331   18.172  104.251   17.582   86.454   24.816  122.186   24.913  191.074   27.790  227.589   23.422 -36.51485 36.34431 
1 1 1    6   14    8 o  366.549   29.035  323.656   49.739  324.998   70.345  322.315   70.339  367.331   40.976  365.766   41.148 1.565430 58.07067 
1 1 1    6   14    9 o  477.978   37.848  576.122   81.002  395.936  114.477  756.796  114.632  397.223   61.665  558.732   43.899 -161.5099 75.69523 
1 1 1    6   14   10 o  536.073   39.044  692.131   97.818   0.0000   0.0000  692.131   97.818  ?   ?   536.073   39.044      ?      ? 
1 1 1    6   14   11 o  263.849   21.713  165.835   26.775  165.271   37.823  166.401   37.907  263.397   30.726  264.302   30.689 -0.9053040 43.42661 
1 1 1    6   14   12 o  399.421   27.480  388.119   48.035  373.250   83.129  395.572   58.856  391.401   45.445  407.439   30.909 -16.03793 54.96016 
1 1 1    6   14   13 o  340.115   24.991  292.272   36.178  237.413   62.563  319.832   44.344  312.820   42.793  367.409   25.825 -54.58896 49.98215 
1 1 1    6   14   14 o  575.779   41.603  863.781  102.320  738.347  177.161  926.563  125.337  534.161   70.967  617.398   43.438 -83.23621 83.20541 
1 1 1    6   14   15 o  208.098   18.166  115.372   14.983   76.348   25.683  135.504   18.447  176.109   32.399  240.087   16.441 -63.97789 36.33171 
1 1 1    6   14   16 o  226.782   19.582  122.323   20.750  123.895   29.162  120.711   29.530  228.309   27.331  225.255   28.051 3.053574 39.16438 
1 1 1    6   14   17 o  154.503   15.305   55.778   10.976   47.787   14.747   65.703   16.435  142.187   22.193  166.818   21.081 -24.63037 30.60943 
1 1 1    6   14   18 o  230.622   17.354  126.991   17.587  123.168   30.335  128.926   21.584  227.422   28.541  233.822   19.752 -6.400421 34.70878 
1 1 1    6   14   19 o  220.231   18.740  115.271   19.275  121.005   27.432  109.679   27.088  225.709   26.006  214.752   26.989 10.95732 37.47971 
1 1 1    6   14   20 o  697.576   53.477  1367.31  156.311  1493.42  191.475  1115.36  270.645  771.342   53.116  623.810   92.834 147.5316 106.9548 
1 1 1    6   14   21 o  211.090   15.021  104.389   14.013  108.666   24.328  102.265   17.143  213.882   24.338  208.298   17.610 5.584869 30.04104 
1 1 1    6   14   22 o  204.093   12.695   98.227   12.095   92.244   17.001  104.359   17.210  197.753   18.395  210.433   17.500 -12.67998 25.38928 
1 1 1    6   14   23 o  105.397   13.326   28.772   5.9207   33.178   7.3815   20.824   9.9142  118.859   13.288   91.936   23.102 26.92298 26.65137 
1 1 1    6   14   24 o  202.387   15.941   98.694   13.993  101.145   17.022   93.586   24.576  206.978   17.597  197.796   26.586 9.182449 31.88230 
1 1 1    6   14   25 o  551.876   29.570  770.618   74.951  617.057  105.943  924.487  106.049  492.297   46.047  611.454   37.111 -119.1570 59.14022 
1 1 1    6   14   26 o  363.448   23.798  314.698   38.558  360.284   66.898  292.021   47.184  380.218   37.648  346.677   29.122 33.54068 47.59690 
1 1 1    6   14   27 o  410.905   35.631  444.466   67.972  496.662   96.091  392.190   96.164  438.125   46.929  383.685   53.629 54.44031 71.26261 
1 1 1    6   14   28 o  217.262   13.870  112.490   14.060  104.627   19.806  120.477   19.962  209.473   20.231  225.051   18.980 -15.57787 27.74051 
1 1 1    6   14   29 o  144.406   14.949   54.781   8.7842   62.798   10.856   39.576   14.950  163.077   14.244  125.735   26.288 37.34195 29.89870 
1 1 1    6   14   30 o  190.176   14.158   82.723   12.091   74.116   14.853   99.630   20.818  176.527   18.004  203.824   21.855 -27.29695 28.31532 
1 1 1    6   14   31 o  120.040   10.808   34.341   6.0229   38.226   8.4289   30.289   8.6093  127.132   14.187  112.948   16.310 14.18324 21.61621 
1 1 1    6   14   32 o  112.433   12.600   28.436   6.2758   35.734   11.217   25.111   7.5719  122.067   19.663  102.800   15.760 19.26692 25.19941 
1 1 1    6   14   33 o  257.713   24.274  186.414   24.608  128.923   42.572  215.260   30.156  217.179   43.460  298.247   21.635 -81.06752 48.54730 
1 1 1    6   14   34 o  132.878   12.783   41.444   7.7145   45.980   12.742   38.820   9.6929  138.181   19.731  127.576   16.257 10.60570 25.56540 
1 1 1    6   14   35 o  120.824   20.065   35.235   11.330   35.235   11.330   0.0000   0.0000  120.824   20.065  ?   ?       ?      ? 
1 1 1    6   14   36 o  138.595   14.948   46.646   9.6772   44.703   13.584   48.649   13.790  135.590   21.436  141.600   20.838 -6.009735 29.89542 
1 1 1    6   14   37 o  146.385   13.157   51.167   8.4626   50.146   10.304   53.282   14.835  144.928   15.212  147.841   21.470 -2.913681 26.31335 
1 1 1    6   14   38 o  194.656   18.190   91.572   16.548   0.0000   0.0000   91.572   16.548  ?   ?   194.656   18.190      ?      ? 
1 1 1    6   14   39 f  221.976   18.580  131.781   15.874  139.285   18.328  109.256   31.754  240.467   16.309  203.486   33.390 36.98100 37.16023 
1 1 1    6   14   40 f  115.755   12.149   29.624   5.9111   26.380   6.8354   39.247   11.772  104.992   13.930  126.519   19.908 -21.52682 24.29821 
1 1 1    6   14   41 o  334.020   26.926  282.794   42.032  282.794   42.032   0.0000   0.0000  334.020   26.926  ?   ?       ?      ? 
1 1 1    6   14   42 o   98.802   18.070   25.569   8.4336   28.208   11.932   22.934   11.922  104.010   24.881   93.593   26.213 10.41682 36.14065 
1 1 1    6   14   43 f  146.340   11.584   51.878   7.9164   49.354   10.959   54.634   11.448  142.602   16.444  150.077   16.322 -7.475571 23.16898 
1 1 1    6   14   44 o  234.146   18.224  137.973   18.825  131.695   22.942  150.910   32.934  229.529   21.387  238.763   29.515 -9.234558 36.44865 
1 1 1    6   14   45 o  136.947   14.101   45.251   8.6419   42.546   10.650   50.468   14.787  132.059   17.256  141.835   22.308 -9.776245 28.20296 
1 1 1    6   14   46 o   74.278   11.402   11.571   4.3661   2.4240   5.5489   26.441   7.0745   43.796   17.641  104.760   14.450 -60.96411 22.80327 
1 1 1    6   14   47 o   36.028   11.423  -5.0557   4.3593 -11.9742   6.2269   1.5945   6.1049   28.231   13.845   43.826   18.174 -15.59478 22.84682 
1 1 1    6   14   48 o  162.516   11.519   65.671   8.4271   69.486   10.789   59.702   13.495  169.755   13.600  155.277   18.596 14.47845 23.03823 
1 1 1    6   14   49 o  215.752   12.589  113.412   12.500  107.140   16.149  122.786   19.743  209.191   16.518  222.312   19.002 -13.12170 25.17771 
1 1 1    6   14   50 o  110.128   11.358   29.202   5.7150   27.628   7.2709   31.747   9.2443  106.731   14.576  113.525   17.424 -6.793861 22.71687 
1 1 1    6   14   51 o  128.354   11.138   40.154   6.5013   39.191   8.2567   41.724   10.547  127.026   13.908  129.683   17.402 -2.657379 22.27674 
1 1 1    6   14   52 o   68.555   15.216   9.7173   5.8705   21.042   9.4843   2.6838   7.4743   88.391   22.807   48.720   20.149 39.67130 30.43241 
1 1 1    6   14   53 f  119.786   14.957   35.748   7.8803   43.890   13.480   31.521   9.7128  127.819   23.430  111.753   18.597 16.06568 29.91314 
1 1 1    6   14   54 o  125.300   18.701   44.100   10.581   43.938   14.412   44.290   15.584  125.885   25.373  124.716   27.478 1.169502 37.40116 
1 1 1    6   14   55 o   50.988   14.524   4.5412   4.8873   5.6097   5.5586   0.9020   10.259   50.141   18.274   51.836   22.580 -1.695553 29.04820 
1 1 1    6   14   56 o  105.685   16.313   28.101   8.0572   28.101   8.0572   0.0000   0.0000  105.685   16.313  ?   ?       ?      ? 
1 1 1    6   14   57 f   63.546   19.307   10.874   6.2400   10.874   6.2400   0.0000   0.0000   63.546   19.307  ?   ?       ?      ? 
1 1 1    6   14   58 o  119.137   30.993   45.232   17.421   45.232   17.421   0.0000   0.0000  119.137   30.993  ?   ?       ?      ? 
1 1 1    6   14   59 o   90.142   15.180   27.605   7.4051   5.0038   13.561   37.207   8.8393   59.732   25.991  120.552   15.689 -60.82030 30.35903 
1 1 1    6   14   60 o  115.396   13.612   36.708   7.0460   45.695   10.265   28.701   9.6893  131.446   16.709   99.346   21.493 32.10064 27.22426 
1 1 1    6   14   61 o   40.265   11.459  -0.1056   4.0513   6.7928   5.3341  -9.5089   6.2278   51.392   17.995   29.138   14.193 22.25460 22.91853 
1 1 1    6   14   62 o   86.178   14.923   23.082   6.0613   18.071   9.0920   27.090   8.1320   74.813   23.407   97.543   18.516 -22.72972 29.84503 
1 1 1    6   14   63 o   30.643   10.230  -6.8844   4.1239  -0.0988   5.6382 -14.6906   6.0474   36.619   16.310   24.667   12.353 11.95240 20.46005 
1 1 1    6   14   64 o   48.766   14.803  -2.3233   5.3631   17.702   11.502  -7.8865   6.0624   68.488   26.025   29.044   14.115 39.44406 29.60599 
1 1 1    6   14   65 o   55.641   15.376   9.1271   5.9288   5.1832   8.0630   13.770   8.7479   48.160   20.482   63.123   22.937 -14.96282 30.75105 
1 1 1    6   14   66 o   30.647   10.664 -10.2463   5.2593 -10.5083   8.1681 -10.0609   6.8738   32.097   15.764   29.198   14.364 2.898447 21.32705 
1 1 1    6   15    0 f  221.567   12.969  117.440   18.693  117.440   18.693  117.440   18.693  221.567   18.341  221.567   18.341 -0.000000 0.000000 
1 1 1    6   15    1 o  112.187   9.8591   29.570   5.1614   31.029   7.2394   28.062   7.3606  115.020   13.467  109.353   14.403 5.667030 19.71817 
1 1 1    6   15    2 o  618.639   28.299  902.182   80.704  1059.98  127.655  797.122  104.160  662.026   41.259  575.252   38.744 86.77441 56.59856 
1 1 1    6   15    3 o  449.907   29.215  491.011   52.861  486.468  105.762  492.524   61.031  444.557   50.905  455.258   28.685 -10.70068 58.43048 
1 1 1    6   15    4 o  545.654   25.053  704.348   62.915  766.781   99.513  662.776   81.203  564.615   37.712  526.693   32.989 37.92194 50.10506 
1 1 1    6   15    5 o  180.533   14.468   82.308   10.179   66.712   20.260   87.575   11.773  167.814   25.832  193.251   13.036 -25.43755 28.93512 
1 1 1    6   15    6 o  415.974   34.076  494.786   49.544  312.794   99.013  555.574   57.223  347.539   63.292  484.410   25.276 -136.8710 68.15262 
1 1 1    6   15    7 o  430.234   30.225  484.695   49.928  382.464   99.816  518.807   57.659  392.653   54.394  467.816   26.372 -75.16269 60.44999 
1 1 1    6   15    8 o  620.254   42.769  997.516  104.227  904.621  208.454  1028.48  120.350  587.664   75.900  652.845   39.445 -65.18121 85.53757 
1 1 1    6   15    9 o  313.479   22.724  258.156   27.104  192.782   54.187  279.970   31.301  282.202   41.086  344.756   19.427 -62.55374 45.44738 
1 1 1    6   15   10 o  295.683   22.664  206.588   31.319   0.0000   0.0000  206.588   31.319  ?   ?   295.683   22.664      ?      ? 
1 1 1    6   15   11 o  444.973   29.270  483.254   52.272  474.590  104.582  486.140   60.351  437.969   51.094  451.978   28.571 -14.00876 58.53971 
1 1 1    6   15   12 o  305.494   18.170  206.502   23.097  254.853   46.273  190.459   26.654  326.811   30.296  284.177   20.069 42.63397 36.34077 
1 1 1    6   15   13 o  184.347   15.075   81.494   12.098   76.745   21.081   83.826   14.773  179.909   25.072  188.785   16.744 -8.875275 30.14909 
1 1 1    6   15   14 o  392.736   28.936  367.478   53.111   0.0000   0.0000  367.478   53.111  ?   ?   392.736   28.936      ?      ? 
1 1 1    6   15   15 o  390.078   19.054  358.232   34.175  380.562   54.014  343.325   44.132  399.616   28.921  380.540   24.815 19.07660 38.10784 
1 1 1    6   15   16 o  260.096   29.280  198.455   29.141  246.293   35.591  101.168   50.755  322.444   23.618  197.747   53.585 124.6968 58.55914 
1 1 1    6   15   17 o  167.828   11.681   66.279   9.1484   61.574   12.805   71.185   13.075  161.714   16.943  173.942   16.084 -12.22858 23.36142 
1 1 1    6   15   18 o  508.046   39.986  691.585   82.745  373.242  116.754  1012.84  117.287  371.199   69.865  644.892   38.915 -273.6934 79.97178 
1 1 1    6   15   19 o  227.868   17.973  128.466   17.628  137.829   21.622  109.908   30.442  241.624   19.148  214.111   30.422 27.51340 35.94615 
1 1 1    6   15   20 o  146.983   15.925   51.264   10.923   53.089   15.230   49.330   15.674  149.748   21.761  144.217   23.256 5.531174 31.84940 
1 1 1    6   15   21 f  236.020   16.382  130.115   17.212  125.335   21.148  139.493   29.622  230.240   19.654  241.799   26.213 -11.55989 32.76303 
1 1 1    6   15   22 o  116.590   16.040   33.848   8.4369   26.899   12.584   39.521   11.371  103.986   25.971  129.194   18.833 -25.20814 32.08093 
1 1 1    6   15   23 o  182.599   12.005   79.377   10.158   90.776   14.329   67.863   14.402  196.029   15.641  169.169   18.216 26.86092 24.00922 
1 1 1    6   15   24 o  242.581   18.757  144.203   19.886  148.504   24.413  135.724   34.281  249.513   20.936  235.648   31.128 13.86501 37.51302 
1 1 1    6   15   25 o  137.772   12.510   41.554   7.4460   36.588   8.7683   54.394   14.100  124.440   15.077  151.103   19.967 -26.66227 25.02001 
1 1 1    6   15   26 o  120.988   13.625   35.521   7.0164   34.929   12.214   35.812   8.5719  118.860   22.817  123.116   14.898 -4.256172 27.25000 
1 1 1    6   15   27 o   98.879   11.256   23.674   4.9140   16.083   6.7373   32.302   7.1828   80.707   18.286  117.051   13.130 -36.34429 22.51153 
1 1 1    6   15   28 o  289.361   23.967  220.968   29.056  244.581   35.508  173.111   50.551  318.594   23.848  260.128   41.581 58.46545 47.93429 
1 1 1    6   15   29 o  115.825   10.797   32.185   5.7626   37.144   7.9974   26.829   8.3107  125.383   13.648  106.267   16.734 19.11574 21.59379 
1 1 1    6   15   30 o  149.632   14.223   52.314   9.2245   50.056   11.034   57.558   16.812  145.087   16.272  154.176   23.333 -9.089294 28.44646 
1 1 1    6   15   31 o  152.955   11.407   56.013   8.1055   61.949   11.347   49.827   11.582  161.464   15.037  144.446   17.157 17.01753 22.81418 
1 1 1    6   15   32 o  111.178   13.926   32.822   6.5417   22.417   10.700   39.033   8.2666   94.062   24.201  128.293   13.787 -34.23111 27.85282 
1 1 1    6   15   33 o  226.868   17.742  128.217   17.616  120.367   30.195  132.268   21.690  219.473   29.438  234.263   19.811 -14.78999 35.48344 
1 1 1    6   15   34 o  347.084   43.937  328.230   71.270  328.230   71.270   0.0000   0.0000  347.084   43.937  ?   ?       ?      ? 
1 1 1    6   15   35 o  112.741   16.016   32.498   8.1991   24.961   12.127   38.845   11.128   98.574   25.963  126.908   18.762 -28.33431 32.03288 
1 1 1    6   15   36 o  182.567   17.553   80.240   14.977   80.240   14.977   0.0000   0.0000  182.567   17.553  ?   ?       ?      ? 
1 1 1    6   15   37 o  116.591   13.544   30.339   6.8706   24.074   8.2616   44.388   12.372   98.170   18.690  135.012   19.608 -36.84141 27.08797 
1 1 1    6   15   38 o  110.237   14.193   28.797   6.6684   26.344   7.9790   34.479   12.144  104.494   16.339  115.981   23.214 -11.48722 28.38701 
1 1 1    6   15   39 o  124.585   17.323   39.918   9.7158   38.244   13.350   41.803   14.167  121.837   24.298  127.332   24.697 -5.494835 34.64568 
1 1 1    6   15   41 o  118.803   12.678   36.051   6.4017   52.658   9.1999   20.461   8.9136  148.406   13.264   89.199   21.610 59.20640 25.35611 
1 1 1    6   15   42 o   89.456   12.544   19.989   5.1354   16.443   7.2097   23.641   7.3166   80.155   19.445   98.758   15.852 -18.60326 25.08788 
1 1 1    6   15   43 o   75.142   12.672   14.909   4.3609   17.097   5.5506   11.380   7.0489   83.030   14.849   67.254   20.539 15.77563 25.34488 
1 1 1    6   15   44 o  140.120   10.443   45.522   6.6970   35.754   8.6001   60.569   10.674  121.656   15.126  158.584   14.403 -36.92802 20.88619 
1 1 1    6   15   45 o  140.875   10.576   46.481   6.8557   39.563   8.8163   57.062   10.904  128.080   14.729  153.670   15.183 -25.59015 21.15284 
1 1 1    6   15   46 o  151.117   11.993   59.172   7.8585   69.880   10.101   42.753   12.508  170.929   12.645  131.305   20.383 39.62415 23.98627 
1 1 1    6   15   47 o  227.644   22.904  143.757   24.345  148.648   34.270  138.774   34.589  232.481   31.542  222.807   33.218 9.673965 45.80735 
1 1 1    6   15   48 o  151.217   14.912   56.234   10.116   53.020   12.518   62.282   17.173  146.468   18.288  155.967   23.559 -9.498367 29.82432 
1 1 1    6   15   49 o   69.566   13.925   12.821   4.8484   15.484   6.2536   8.8076   7.6763   77.824   17.606   61.307   21.579 16.51626 27.84994 
1 1 1    6   15   50 o  225.202   15.554  132.034   15.840   96.734   22.348  167.672   22.455  191.551   24.964  258.853   18.561 -67.30156 31.10819 
1 1 1    6   15   51 o  154.702   12.548   59.804   9.0668   60.714   12.682   58.853   12.967  156.108   17.383  153.297   18.100 2.811462 25.09528 
1 1 1    6   15   52 o   88.013   16.473   20.817   6.7275   22.322   10.999   19.917   8.5037   89.694   25.197   86.331   21.225 3.363007 32.94550 
1 1 1    6   15   53 o  157.557   19.586   69.686   14.115   66.652   19.891   72.762   20.033  152.278   29.008  162.837   26.324 -10.55836 39.17166 
1 1 1    6   15   54 o   66.880   15.807   11.123   5.2577   10.602   6.0502   12.728   10.626   63.611   18.940   70.149   25.312 -6.538517 31.61405 
1 1 1    6   15   55 o   89.474   17.133   22.788   7.1210   23.369   8.6847   21.598   12.440   93.061   20.520   85.887   27.443 7.173386 34.26658 
1 1 1    6   15   56 o   69.682   20.785   13.383   7.2811   13.383   7.2811   0.0000   0.0000   69.682   20.785  ?   ?       ?      ? 
1 1 1    6   15   57 o  119.703   18.691   41.971   10.981   66.122   16.235   21.609   14.908  155.796   22.298   83.610   30.003 72.18562 37.38128 
1 1 1    6   15   58 o   52.369   15.551   1.6686   5.8813   11.270   11.329  -1.8739   6.8812   65.598   25.590   39.140   17.677 26.45779 31.10160 
1 1 1    6   15   59 o   62.569   15.864   11.114   6.0163   8.1716   8.7969   13.699   8.2465   57.166   22.477   67.972   22.392 -10.80577 31.72753 
1 1 1    6   15   60 o   53.783   13.944   7.3148   4.7631   9.7065   6.1106   3.6118   7.6035   59.324   19.262   48.243   20.167 11.08077 27.88821 
1 1 1    6   15   61 o   58.784   14.590   10.015   4.8960   9.8039   6.2842   10.341   7.8097   58.219   19.558   59.349   21.656 -1.130085 29.18067 
1 1 1    6   15   62 o   60.305   15.209   11.037   5.7179   6.1903   8.3273   15.361   7.8651   51.226   21.233   69.383   21.781 -18.15733 30.41781 
1 1 1    6   15   63 o   55.479   15.553   7.3274   6.1969   1.4701   7.9922   16.157   9.8126   43.457   19.382   67.502   24.329 -24.04460 31.10577 
1 1 1    6   15   64 o   65.782   15.692   14.763   5.5898   15.309   6.4474   13.109   11.217   70.493   19.097   61.071   24.905 9.421959 31.38412 
1 1 1    6   15   65 o   42.402   13.024   1.5951   5.4174   7.4088   6.7566  -8.8706   9.0654   49.718   19.651   35.086   17.098 14.63195 26.04836 
1 1 1    6   16    0 o   57.448   13.854   10.021   4.7194   10.021   4.7194   10.021   4.7194   57.448   19.592   57.448   19.592 -0.000000 0.000000 
1 1 1    6   16    1 o  545.765   27.056  734.087   66.533  516.872   94.025  951.917   94.158  460.496   43.690  631.035   31.927 -170.5395 54.11219 
1 1 1    6   16    2 o  271.849   19.458  177.258   23.192  170.850   40.090  180.482   28.433  267.297   32.092  276.401   22.011 -9.104614 38.91521 
1 1 1    6   16    3 o  478.759   21.918  544.988   48.129  559.474   76.107  535.334   62.130  483.102   33.709  474.416   28.022 8.685913 43.83514 
1 1 1    6   16    4 o  188.712   11.917   83.792   10.504   80.600   14.866   86.975   14.845  185.097   17.185  192.327   16.516 -7.230011 23.83496 
1 1 1    6   16    5 o  303.641   17.411  198.309   22.184  265.793   44.459  175.938   25.598  334.152   28.469  273.130   20.054 61.02179 34.82290 
1 1 1    6   16    6 o  367.440   23.171  313.610   34.855  344.027   69.777  303.496   40.234  376.889   39.615  357.991   24.048 18.89795 46.34260 
1 1 1    6   16    7 o  330.642   22.023  264.145   29.198  255.385   58.436  267.060   33.707  325.022   38.470  336.262   21.449 -11.23944 44.04568 
1 1 1    6   16    8 o  197.430   15.865   96.222   13.460   81.074   23.227  103.882   16.516  184.710   26.907  210.151   16.817 -25.44168 31.72961 
1 1 1    6   16    9 o  320.904   20.974  243.113   31.455   0.0000   0.0000  243.113   31.455  ?   ?   320.904   20.974      ?      ? 
1 1 1    6   16   10 o   78.171   12.702   16.800   4.7283   6.2621   8.0897   22.268   5.8272   58.911   21.945   97.431   12.797 -38.52013 25.40368 
1 1 1    6   16   11 o  521.604   26.279  613.222   56.996  756.219  114.088  565.662   65.795  556.087   43.899  487.121   28.901 68.96573 52.55870 
1 1 1    6   16   12 f  358.680   21.117  312.627   30.281  296.814   60.573  317.896   34.964  350.431   36.986  366.928   20.389 -16.49734 42.23345 
1 1 1    6   16   13 o  235.158   12.861  130.115   13.864  131.594   21.896  129.125   17.913  236.076   19.845  234.239   16.363 1.837296 25.72137 
1 1 1    6   16   14 o  242.136   20.131  152.113   20.266  173.081   24.825  110.221   35.090  270.716   19.622  213.556   35.158 57.15976 40.26280 
1 1 1    6   16   15 o   93.914   10.765   21.197   4.4780   14.656   6.1366   28.647   6.5492   77.357   17.396  110.471   12.685 -33.11366 21.52988 
1 1 1    6   16   16 o  372.984   18.762  331.420   32.036  331.373   50.631  331.451   41.371  372.239   29.104  373.730   23.686 -1.491333 37.52429 
1 1 1    6   16   17 o  308.556   15.598  226.615   22.283  190.425   31.366  263.491   31.663  283.241   23.695  333.871   20.292 -50.62982 31.19681 
1 1 1    6   16   18 f  333.510   18.938  265.889   29.480  250.271   41.645  281.578   41.738  323.476   27.547  343.545   25.996 -20.06912 37.87658 
1 1 1    6   16   19 o  174.378   15.509   75.523   11.675   63.207   19.911   81.977   14.414  162.402   26.233  186.354   16.550 -23.95242 31.01733 
1 1 1    6   16   20 f  367.547   19.754  326.904   33.825  297.317   47.750  356.706   47.923  350.283   29.168  384.812   26.647 -34.52899 39.50774 
1 1 1    6   16   21 o  135.230   10.308   43.113   6.5107   41.821   9.0207   44.517   9.4065  133.125   14.499  137.334   14.656 -4.208435 20.61580 
1 1 1    6   16   22 o  146.075   10.779   50.460   7.3525   51.614   10.268   49.246   10.533  147.831   14.862  144.320   15.616 3.510666 21.55810 
1 1 1    6   16   23 o   92.761   13.119   22.338   5.3271   26.274   6.7335   15.754   8.7097  105.551   13.650   79.971   22.407 25.58068 26.23745 
1 1 1    6   16   24 o  325.302   24.138  264.341   34.265  254.061   59.388  269.471   41.953  317.084   40.076  333.520   26.915 -16.43588 48.27512 
1 1 1    6   16   25 o  278.814   17.012  187.841   22.049  208.971   31.123  166.551   31.242  295.107   22.566  262.521   25.464 32.58640 34.02441 
1 1 1    6   16   26 o  489.673   27.101  616.509   59.789  792.029   84.609  441.436   84.501  566.248   31.972  413.097   43.769 153.1513 54.20259 
1 1 1    6   16   27 o  275.740   23.524  189.553   30.301  182.238   42.614  197.034   43.093  270.102   33.758  281.378   32.770 -11.27512 47.04768 
1 1 1    6   16   28 o  385.970   28.549  399.849   46.936  343.969   81.285  427.800   57.488  356.140   48.837  415.799   29.584 -59.65915 57.09830 
1 1 1    6   16   29 o  143.980   10.899   49.298   7.3323   49.089   10.254   49.517   10.488  143.690   15.270  144.270   15.556 -0.5792999 21.79813 
1 1 1    6   16   30 o  157.909   12.548   57.295   8.9755   69.588   15.118   50.604   11.154  170.182   19.008  145.637   16.388 24.54489 25.09691 
1 1 1    6   16   31 o  261.831   21.458  179.089   24.008  150.862   41.342  193.452   29.490  241.503   36.629  282.158   22.364 -40.65477 42.91670 
1 1 1    6   16   33 o   79.814   16.340   15.770   5.8896   15.770   5.8896   0.0000   0.0000   79.814   16.340  ?   ?       ?      ? 
1 1 1    6   16   34 f  103.762   13.060   26.233   5.7101   25.928   6.8652   26.918   10.285  104.347   14.078  103.176   22.002 1.171089 26.12018 
1 1 1    6   16   35 o  140.329   13.177   47.525   8.3633   48.452   13.703   46.974   10.558  140.795   20.824  139.862   16.152 0.9333191 26.35431 
1 1 1    6   16   36 o  116.894   15.740   34.424   8.3321   23.941   11.445   46.246   12.154   95.955   25.198  137.832   18.868 -41.87627 31.47900 
1 1 1    6   16   37 o  121.542   16.615   37.329   9.2016   28.746   12.594   47.158   13.478  104.707   25.883  138.377   20.840 -33.66969 33.23005 
1 1 1    6   16   38 f  289.095   37.767  227.869   51.027   0.0000   0.0000  227.869   51.027  ?   ?   289.095   37.767      ?      ? 
1 1 1    6   16   39 o   91.900   16.384   22.094   7.1170   26.072   9.7151   17.486   10.456  101.170   21.224   82.631   24.966 18.53886 32.76871 
1 1 1    6   16   40 o   61.429   15.321   7.4721   6.1342   13.959   8.1185  -1.1585   9.3643   74.029   21.917   48.829   21.413 25.20047 30.64103 
1 1 1    6   16   41 o   64.318   15.006   10.210   5.3271   6.7160   8.6450   12.349   6.7639   58.997   22.527   69.639   19.829 -10.64159 30.01119 
1 1 1    6   16   42 o  128.615   12.892   42.040   7.2291   54.574   10.172   29.249   10.276  150.502   14.462  106.728   21.347 43.77406 25.78449 
1 1 1    6   16   43 o  184.105   15.927   83.954   12.968   89.067   22.460   81.396   15.883  186.231   25.805  181.977   18.676 4.253952 31.85434 
1 1 1    6   16   44 o   90.869   14.532   22.893   5.5279   25.272   6.3984   15.889   10.977  102.671   13.334   79.067   25.825 23.60417 29.06439 
1 1 1    6   16   45 o  172.703   15.288   76.040   10.396   77.406   11.966   71.834   20.998  179.202   14.288  166.204   27.033 12.99771 30.57691 
1 1 1    6   16   46 o  134.980   16.959   53.224   8.5254   58.605   9.8447   37.087   17.049  155.797   13.521  114.163   31.107 41.63361 33.91801 
1 1 1    6   16   47 o  180.085   18.619   88.539   13.732   76.011   24.048   94.602   16.728  164.477   32.437  195.692   18.290 -31.21500 37.23813 
1 1 1    6   16   48 o   90.199   15.349   23.269   5.9695   25.805   6.8423   15.184   12.215  103.126   14.197   77.272   27.219 25.85396 30.69867 
1 1 1    6   16   49 o   99.241   15.146   24.664   6.0903   23.688   6.9918   27.732   12.400   98.335   15.214  100.147   26.194 -1.812157 30.29181 
1 1 1    6   16   50 o   48.452   14.651   1.4845   5.5404   1.7465   6.6610   0.8964   9.9804   45.060   18.859   51.844   22.427 -6.783703 29.30284 
1 1 1    6   16   51 o  114.545   15.727   35.541   7.7643   32.019   13.220   37.396   9.5929  106.588   26.619  122.502   16.756 -15.91367 31.45371 
1 1 1    6   16   52 o  108.184   18.879   33.234   9.4979   30.068   13.123   36.717   13.764  102.412   27.025  113.955   26.368 -11.54301 37.75710 
1 1 1    6   16   53 o   40.655   13.157  -2.6947   4.7528  -2.9501   5.4352  -1.8647   9.7976   33.712   15.414   47.599   21.328 -13.88652 26.31480 
1 1 1    6   16   54 o   98.305   16.978   28.442   7.8443   32.373   9.7124   21.067   13.304  112.162   18.528   84.447   28.457 27.71536 33.95692 
1 1 1    6   16   55 o   44.684   13.940  -0.1342   5.4250  -0.7099   6.6994   0.9623   9.2462   40.481   17.917   48.887   21.362 -8.406818 27.88091 
1 1 1    6   16   56 o   65.304   14.717   11.191   6.1955   19.072   7.7829  -2.4428   10.236   83.387   20.187   47.221   21.421 36.16648 29.43408 
1 1 1    6   16   57 f   74.268   16.141   15.790   7.2580   25.703   9.6661   2.9762   10.989   94.685   22.225   53.850   23.414 40.83532 32.28255 
1 1 1    6   16   58 o   62.492   21.942   11.166   7.9335   0.0000   0.0000   11.166   7.9335  ?   ?    62.492   21.942      ?      ? 
1 1 1    6   16   59 o   38.017   11.997  -2.2258   4.6563   2.5272   6.0868  -8.9312   7.2297   43.298   18.067   32.736   15.789 10.56172 23.99426 
1 1 1    6   16   60 o   66.130   15.594   13.373   5.6469   15.467   8.3936   11.641   7.6325   70.116   22.557   62.144   21.538 7.971268 31.18834 
1 1 1    6   16   61 o   33.404   15.994  -6.6320   7.1119  -6.6320   7.1119   0.0000   0.0000   33.404   15.994  ?   ?       ?      ? 
1 1 1    6   16   62 o   44.401   14.158  -2.1592   6.0305  -8.0156   7.4376   9.0796   10.303   32.845   15.884   55.956   23.441 -23.11088 28.31556 
1 1 1    6   16   63 o   52.934   15.440   6.0738   5.2656   3.8032   5.9643   14.097   11.212   43.298   17.960   62.571   25.120 -19.27249 30.88051 
1 1 1    6   16   64 o   36.787   11.867  -2.0047   4.7664  -7.6921   6.7915   3.5157   6.6910   30.698   14.924   42.875   18.455 -12.17689 23.73436 
1 1 1    6   17    0 o  157.294   11.477   59.818   11.640   59.818   11.640   59.818   11.640  157.294   16.231  157.294   16.231 -0.000000 0.000000 
1 1 1    6   17    1 o  295.046   16.777  206.760   23.038  185.485   32.584  228.027   32.578  279.620   24.934  310.472   22.452 -30.85266 33.55315 
1 1 1    6   17    2 o  275.057   14.581  179.612   18.308  173.914   28.938  183.415   23.640  271.077   22.842  279.038   18.128 -7.960876 29.16112 
1 1 1    6   17    3 o  261.340   13.762  162.148   16.405  156.043   25.947  166.214   21.173  256.931   21.608  265.747   17.048 -8.816010 27.52393 
1 1 1    6   17    4 o  493.785   34.394  628.236   66.517  553.749  133.035  653.065   76.807  465.384   61.166  522.186   31.473 -56.80176 68.78804 
1 1 1    6   17    5 o  355.738   28.494  301.866   47.372   0.0000   0.0000  301.866   47.372  ?   ?   355.738   28.494      ?      ? 
1 1 1    6   17    6 o  261.393   17.874  158.778   20.782  173.932   35.992  151.199   25.453  269.952   28.529  252.835   21.541 17.11758 35.74757 
1 1 1    6   17    7 o  653.803   40.136  1024.81  117.797  1318.52  204.159  878.237  144.225  715.953   61.016  591.653   52.159 124.3001 80.27134 
1 1 1    6   17    8 o  401.902   25.164  385.436   41.020  401.312   82.094  380.154   47.355  403.996   43.480  399.809   25.344 4.186432 50.32750 
1 1 1    6   17    9 o  158.224   11.481   54.602   7.5843   68.751   15.178   49.894   8.7558  170.663   19.030  145.786   12.851 24.87759 22.96253 
1 1 1    6   17   10 o  187.506   14.954   88.767   10.907   72.934   21.832   94.034   12.591  174.920   26.706  200.092   13.465 -25.17162 29.90833 
1 1 1    6   17   11 o  518.929   40.425  657.886   98.039   0.0000   0.0000  657.886   98.039  ?   ?   518.929   40.425      ?      ? 
1 1 1    6   17   12 o  289.857   15.752  177.563   19.217  250.746   38.591  153.432   22.160  324.686   25.432  255.028   18.593 69.65828 31.50378 
1 1 1    6   17   13 o  252.071   18.421  159.587   18.198  135.812   36.351  167.537   21.021  237.463   32.755  266.679   16.867 -29.21562 36.84222 
1 1 1    6   17   14 o  147.903   9.5899   51.004   6.5286   53.694   10.268   49.178   8.4588  151.088   14.541  144.718   12.507 6.369583 19.17980 
1 1 1    6   17   15 f  327.990   36.293  341.836   44.260  439.981   54.200  145.388   76.681  428.305   27.077  227.676   67.347 200.6286 72.58620 
1 1 1    6   17   16 o  161.249   10.770   61.354   8.1130   63.401   11.488   59.317   11.460  163.957   14.992  158.541   15.466 5.415909 21.53982 
1 1 1    6   17   17 o  165.589   10.054   63.225   7.6837   74.278   12.084   55.724   9.9553  177.429   14.573  153.750   13.855 23.67888 20.10796 
1 1 1    6   17   18 o  160.072   10.810   61.110   7.8403   43.192   10.843   80.740   11.350  135.014   17.184  185.130   13.118 -50.11555 21.61916 
1 1 1    6   17   19 o  299.994   16.537  216.277   23.124  233.368   32.639  199.055   32.765  312.246   22.367  287.741   24.365 24.50418 33.07467 
1 1 1    6   17   20 o  217.885   12.596  113.053   12.728   96.409   17.875  130.168   18.127  201.332   18.997  234.438   16.544 -33.10597 25.19151 
1 1 1    6   17   21 o  428.202   24.037  455.340   47.701  390.896   67.396  520.029   67.523  395.961   36.420  460.443   31.379 -64.48160 48.07310 
1 1 1    6   17   22 o  245.260   14.580  144.084   16.649  157.040   23.438  130.886   23.655  256.694   19.537  233.827   21.646 22.86729 29.15928 
1 1 1    6   17   23 o   87.099   11.573   18.557   4.5351   10.212   6.1990   28.166   6.6523   64.913   19.133  109.285   13.025 -44.37139 23.14575 
1 1 1    6   17   24 o  411.016   27.059  407.744   49.831  504.123   86.422  359.741   60.991  442.519   41.788  379.514   34.387 63.00485 54.11755 
1 1 1    6   17   25 o  203.113   16.131  100.902   14.328  103.574   17.582   95.619   24.722  208.385   18.054  197.841   26.737 10.54381 32.26196 
1 1 1    6   17   26 o  181.704   12.040   78.739   10.221   79.672   14.349   77.779   14.563  182.846   16.792  180.563   17.258 2.283447 24.07909 
1 1 1    6   17   27 o  219.399   13.448  116.218   13.682  131.699   19.269  100.478   19.429  234.649   17.571  204.150   20.364 30.49911 26.89690 
1 1 1    6   17   28 o  258.509   21.234  168.309   25.139  130.659   35.199  207.508   35.916  226.881   33.196  290.137   26.487 -63.25606 42.46855 
1 1 1    6   17   29 o  364.880   27.695  330.255   47.228   0.0000   0.0000  330.255   47.228  ?   ?   364.880   27.695      ?      ? 
1 1 1    6   17   30 o  213.138   20.542  116.778   19.192   83.552   27.077  150.324   27.207  178.416   33.709  247.861   23.487 -69.44537 41.08434 
1 1 1    6   17   31 o  209.034   16.586  110.466   14.997  117.140   18.441   97.431   25.772  220.727   17.876  197.341   27.944 23.38599 33.17243 
1 1 1    6   17   32 o   86.905   13.270   18.115   5.0858   15.781   6.3486   22.296   8.4969   79.542   17.549   94.268   19.911 -14.72553 26.54058 
1 1 1    6   17   33 o  182.035   14.920   81.074   11.929   81.147   14.607   80.927   20.672  183.577   17.026  180.492   24.506 3.084641 29.83992 
1 1 1    6   17   34 o  248.102   17.057  146.770   18.830  132.600   22.911  176.272   33.057  232.301   21.103  263.902   26.803 -31.60100 34.11354 
1 1 1    6   17   35 o   34.440   11.060  -1.9942   3.5112  -0.5412   4.0221  -6.6487   7.1986   32.582   14.166   36.298   16.988 -3.716026 22.11925 
1 1 1    6   17   36 o   77.909   16.297   14.621   6.3537   10.847   8.2295   20.190   9.9972   67.324   22.378   88.493   23.699 -21.16895 32.59474 
1 1 1    6   17   37 o  108.484   25.375   30.656   12.636   0.0000   0.0000   30.656   12.636  ?   ?   108.484   25.375      ?      ? 
1 1 1    6   17   38 o   90.940   23.650   21.525   10.146   21.525   10.146   0.0000   0.0000   90.940   23.650  ?   ?       ?      ? 
1 1 1    6   17   39 o  136.943   14.819   48.294   8.6801   43.576   14.494   50.932   10.839  128.998   24.944  144.887   16.007 -15.88907 29.63785 
1 1 1    6   17   40 o  127.207   17.985   43.433   10.395   55.032   14.315   30.494   15.119  148.780   20.587  105.635   29.495 43.14511 35.96938 
1 1 1    6   17   41 o  104.073   17.235   28.517   8.1906   28.930   10.911   27.985   12.398  105.556   22.785  102.589   25.865 2.966660 34.46927 
1 1 1    6   17   42 o  187.678   13.022   86.479   11.416   88.595   16.062   84.319   16.230  190.165   18.073  185.191   18.752 4.973801 26.04358 
1 1 1    6   17   43 o  124.965   14.218   36.847   7.9282   44.816   13.862   32.973   9.6649  133.788   22.171  116.141   17.806 17.64746 28.43580 
1 1 1    6   17   44 o   87.882   16.304   18.666   6.5728   27.446   11.349   14.235   8.0626  101.597   24.241   74.167   21.809 27.42980 32.60748 
1 1 1    6   17   45 o  153.485   12.284   58.003   8.8114   58.588   12.453   57.418   12.470  154.307   17.268  152.664   17.477 1.642807 24.56896 
1 1 1    6   17   46 o  113.679   10.847   30.526   5.6461   23.315   7.3767   40.725   8.7731   97.691   16.157  129.669   14.477 -31.97791 21.69414 
1 1 1    6   17   47 o  202.659   18.068  108.933   15.865  110.357   19.357  106.018   27.695  209.344   19.784  195.975   30.238 13.36969 36.13529 
1 1 1    6   17   48 o  211.515   14.581  114.218   14.373  105.902   20.424  122.377   20.230  203.090   21.518  219.939   19.682 -16.84874 29.16148 
1 1 1    6   17   49 o   92.140   27.612   23.970   12.828   23.970   12.828   0.0000   0.0000   92.140   27.612  ?   ?       ?      ? 
1 1 1    6   17   50 o   82.420   18.730   18.811   8.4390   13.244   12.219   23.888   11.669   72.680   26.991   92.160   25.976 -19.48071 37.45973 
1 1 1    6   17   51 o  117.114   27.613   39.447   14.867   0.0000   0.0000   39.447   14.867  ?   ?   117.114   27.613      ?      ? 
1 1 1    6   17   52 o   61.276   16.320   8.3126   6.0880   7.2246   7.4725   10.461   10.499   56.562   21.087   65.991   24.915 -9.429169 32.64065 
1 1 1    6   17   53 o   86.189   14.709   20.279   5.9090   16.366   8.2207   24.461   8.4995   76.894   21.848   95.484   19.700 -18.59071 29.41832 
1 1 1    6   17   54 o   54.035   14.098   6.1316   5.0266   10.850   7.0540   1.2636   7.1647   63.476   20.700   44.595   19.144 18.88154 28.19601 
1 1 1    6   17   55 o  152.443   14.527   58.189   10.350   58.189   10.350   0.0000   0.0000  152.443   14.527  ?   ?       ?      ? 
1 1 1    6   17   56 o   63.962   16.348   10.890   6.9259   16.648   8.8861   1.9801   11.055   75.302   23.072   52.623   23.166 22.67860 32.69566 
1 1 1    6   17   57 o  105.695   15.232   32.376   7.2538   32.682   10.638   32.109   9.9167  105.442   22.285  105.948   20.770 -0.5056000 30.46365 
1 1 1    6   17   58 o   63.827   15.980   10.833   6.0142   16.295   9.3672   7.0019   7.8447   73.262   23.852   54.392   21.273 18.87019 31.96082 
1 1 1    6   17   59 o  111.298   18.270   40.230   8.8158   43.527   15.844   38.752   10.610  107.787   30.229  114.809   20.527 -7.021713 36.53987 
1 1 1    6   17   60 o   51.527   15.273   5.7732   6.4951   9.4738   8.1841  -0.5233   10.676   56.703   21.853   46.352   21.343 10.35099 30.54632 
1 1 1    6   17   61 o   55.811   15.389   9.2030   5.4001   9.2564   6.2038   9.0361   10.970   55.451   19.407   56.171   23.890 -0.7198105 30.77893 
1 1 1    6   17   62 o   34.676   11.438  -3.2723   4.4462  -5.2438   5.7602  -0.3662   6.9935   30.356   14.496   38.996   17.696 -8.640146 22.87519 
1 1 1    6   17   63 o   56.312   13.824   10.537   4.6249   12.558   5.9567   7.4684   7.3384   62.567   18.831   50.057   20.243 12.51070 27.64747 
1 1 1    6   18    0 o  168.563   9.2154   67.730   10.126   67.730   10.126   67.730   10.126  168.563   13.033  168.563   13.033 -0.000000 0.000000 
1 1 1    6   18    1 o  245.908   12.871  140.673   14.564  153.297   23.060  132.295   18.785  254.816   19.364  237.001   16.960 17.81508 25.74111 
1 1 1    6   18    2 o  537.123   23.390  679.573   57.913  786.679   91.607  608.270   74.744  571.009   34.328  503.236   31.780 67.77258 46.78012 
1 1 1    6   18    3 o  266.076   14.110  169.580   17.044  156.624   26.963  178.202   21.996  257.110   22.439  275.041   17.112 -17.93146 28.21939 
1 1 1    6   18    4 o  227.847   15.717  122.527   14.488  123.882   29.000  122.077   16.725  227.910   27.227  227.785   15.711 0.1255035 31.43451 
1 1 1    6   18    5 o  774.913   44.963  1453.24  144.480  1820.92  289.078  1330.81  166.809  819.358   75.491  730.468   48.863 88.89069 89.92503 
1 1 1    6   18    6 o  710.560   44.675  1247.76  148.357   0.0000   0.0000  1247.76  148.357  ?   ?   710.560   44.675      ?      ? 
1 1 1    6   18    7 f  495.880   33.909  627.815   66.527  585.023  133.042  642.083   76.821  475.379   59.883  516.381   31.832 -41.00208 67.81831 
1 1 1    6   18    8 o  342.642   31.159  344.980   36.788  207.733   73.488  390.876   42.497  279.513   58.150  405.772   22.409 -126.2596 62.31875 
1 1 1    6   18    9 o  172.723   16.596   78.346   11.506   56.476   19.949   89.248   14.085  150.825   29.358  194.622   15.485 -43.79608 33.19140 
1 1 1    6   18   10 o  599.450   55.188  1108.26  127.596  780.956  220.898  1272.14  156.309  490.443   99.770  708.456   47.210 -218.0126 110.3758 
1 1 1    6   18   11 o  426.867   23.086  396.356   41.521  564.140   83.189  340.690   47.916  477.693   37.263  376.041   27.265 101.6516 46.17227 
1 1 1    6   18   12 o  307.040   21.516  242.047   25.726  205.125   51.493  254.329   29.698  286.933   38.399  327.147   19.424 -40.21399 43.03264 
1 1 1    6   18   13 o  473.006   30.012  572.664   56.413  552.040  112.860  579.533   65.134  457.194   52.820  488.818   28.511 -31.62399 60.02333 
1 1 1    6   18   14 f  435.645   20.591  459.188   41.151  473.358   65.047  449.731   53.136  439.681   31.656  431.609   26.342 8.071991 41.18243 
1 1 1    6   18   15 o  398.546   21.921  389.804   40.567  340.396   57.291  439.488   57.450  371.972   32.956  425.121   28.916 -53.14969 43.84301 
1 1 1    6   18   16 o  332.924   28.884  337.027   32.342  189.487   64.456  386.676   37.390  262.959   54.249  402.890   19.858 -139.9312 57.76882 
1 1 1    6   18   17 o  270.941   21.358  189.628   24.498  151.475   42.338  208.831   30.036  246.412   36.764  295.470   21.752 -49.05757 42.71701 
1 1 1    6   18   18 o  108.512   10.006   27.801   5.0672   25.912   7.1133   29.746   7.2203  104.740   14.532  112.285   13.759 -7.544815 20.01202 
1 1 1    6   18   19 o  313.904   17.730  237.941   26.004  243.305   36.754  232.564   36.798  317.571   24.764  310.237   25.380 7.334625 35.45933 
1 1 1    6   18   20 f  262.191   14.966  165.584   18.130  136.902   25.540  194.718   25.740  238.624   22.902  285.758   19.274 -47.13423 29.93276 
1 1 1    6   18   21 o  232.945   14.521  130.026   15.792  136.050   22.269  123.932   22.398  238.527   19.977  227.363   21.079 11.16425 29.04121 
1 1 1    6   18   22 f  170.993   16.486   70.805   13.142   65.836   18.702   75.652   18.472  164.816   24.280  177.171   22.309 -12.35452 32.97265 
1 1 1    6   18   23 o  291.913   21.326  203.695   27.873  239.743   48.104  185.475   34.199  308.714   33.341  275.112   26.599 33.60120 42.65125 
1 1 1    6   18   24 f  148.515   12.738   49.007   8.4310   66.098   14.941   41.022   10.212  165.892   19.271  131.138   16.663 34.75369 25.47585 
1 1 1    6   18   25 o  227.835   17.146  125.229   17.379  132.305   29.786  121.576   21.398  231.190   27.568  224.481   20.397 6.708954 34.29275 
1 1 1    6   18   26 o   94.706   13.354   24.127   5.5621   14.330   8.9279   30.341   7.1106   76.269   23.076  113.143   13.447 -36.87312 26.70827 
1 1 1    6   18   27 o  178.700   23.840   78.104   19.910   0.0000   0.0000   78.104   19.910  ?   ?   178.700   23.840      ?      ? 
1 1 1    6   18   28 o  187.875   17.568   87.023   15.398   92.570   21.756   81.455   21.796  194.214   23.969  181.536   25.690 12.67830 35.13586 
1 1 1    6   18   29 o  222.103   16.009  114.505   15.981   99.619   19.611  143.926   27.571  202.533   20.719  241.674   24.411 -39.14090 32.01797 
1 1 1    6   18   30 o  148.743   12.140   47.761   7.9254   31.100   9.7094   81.027   13.719  113.535   18.299  183.952   15.958 -70.41797 24.27982 
1 1 1    6   18   31 o  155.452   13.161   54.444   9.1756   74.500   15.969   44.559   11.211  175.046   19.521  135.857   17.657 39.18855 26.32154 
1 1 1    6   18   32 o  305.831   17.210  233.992   24.506  211.518   34.581  256.665   34.733  290.083   25.508  321.578   23.111 -31.49564 34.42032 
1 1 1    6   18   33 o  303.791   31.244  269.171   42.602  225.913   60.315  312.239   60.183  271.416   49.368  336.165   38.307 -64.74860 62.48713 
1 1 1    6   18   34 o  164.544   19.405   71.757   13.986   94.364   19.599   48.298   19.965  195.704   21.429  133.385   32.358 62.31955 38.81016 
1 1 1    6   18   35 o  104.474   14.097   25.492   6.2390   22.937   7.3987   31.780   11.607   97.565   16.226  111.384   23.057 -13.81900 28.19454 
1 1 1    6   18   36 o  104.929   16.138   28.221   7.6954   23.903   10.515   33.202   11.293   95.875   23.620  113.983   21.996 -18.10796 32.27623 
1 1 1    6   18   37 o  103.047   17.179   27.595   8.1786   22.153   11.096   34.067   12.102   91.600   25.152  114.494   23.406 -22.89484 34.35830 
1 1 1    6   18   38 o  181.246   18.761   85.095   15.863   88.812   22.192   81.212   22.683  185.943   25.538  176.548   27.492 9.395126 37.52293 
1 1 1    6   18   39 o   83.288   14.527   19.080   5.5330   21.881   6.5483   12.090   10.345   95.254   14.710   71.322   25.055 23.93230 29.05396 
1 1 1    6   18   40 o  207.221   13.862  106.107   13.420  107.789   18.851  104.378   19.110  209.063   19.294  205.380   19.910 3.683563 27.72428 
1 1 1    6   18   41 o  187.389   12.661   85.757   11.060   77.855   15.362   94.261   15.936  178.182   18.448  196.597   17.345 -18.41495 25.32138 
1 1 1    6   18   42 o  273.823   17.057  191.114   21.819  184.647   30.754  197.669   30.962  268.819   24.479  278.828   23.760 -10.00912 34.11409 
1 1 1    6   18   43 o   55.507   14.768   6.2391   4.6929   6.4769   5.3650   5.4646   9.6838   52.745   18.070   58.270   23.363 -5.524456 29.53528 
1 1 1    6   18   44 o  114.336   14.403   29.918   7.1065   24.469   8.4447   43.141   13.155   97.875   19.147  130.796   21.521 -32.92133 28.80543 
1 1 1    6   18   45 o   63.438   13.838   9.1301   4.7134   4.6436   6.1533   15.500   7.3319   49.716   19.000   77.160   20.123 -27.44403 27.67594 
1 1 1    6   18   46 o   73.362   13.900   14.024   5.0705   8.8437   7.1899   19.149   7.1518   60.544   20.909   86.181   18.321 -25.63670 27.79996 
1 1 1    6   18   47 o  158.327   16.973   67.116   11.279   68.629   13.774   64.038   19.651  165.746   17.781  150.907   28.916 14.83896 33.94568 
1 1 1    6   18   48 o   74.822   26.433   14.605   11.528   14.605   11.528   0.0000   0.0000   74.822   26.433  ?   ?       ?      ? 
1 1 1    6   18   49 o   67.028   17.607   10.546   7.5453   6.2587   10.939   14.437   10.421   60.428   24.613   73.628   25.184 -13.20068 35.21440 
1 1 1    6   18   50 o   58.650   17.087   5.0890   7.5249   8.1521   11.468   2.7728   9.9720   63.619   25.453   53.681   22.803 9.937908 34.17380 
1 1 1    6   18   51 o   78.301   21.405   16.711   8.0569   16.711   8.0569   0.0000   0.0000   78.301   21.405  ?   ?       ?      ? 
1 1 1    6   18   52 o   62.875   15.319   10.413   5.4681   9.5137   8.0432   11.185   7.4562   61.184   22.029   64.565   21.293 -3.380722 30.63811 
1 1 1    6   18   53 o   51.122   14.275   4.3959   5.3068  -0.2158   7.7221   8.5228   7.3051   43.916   19.346   58.327   20.995 -14.41163 28.54944 
1 1 1    6   18   54 o   53.965   19.809   6.9779   6.5479   6.9779   6.5479   0.0000   0.0000   53.965   19.809  ?   ?       ?      ? 
1 1 1    6   18   55 o   64.946   15.205   9.4263   7.2119   22.532   9.3380  -9.9466   11.353   87.476   22.659   42.415   20.281 45.06123 30.41024 
1 1 1    6   18   56 o   76.436   14.136   15.338   6.0908   30.489   9.1122   3.1003   8.1891  104.541   19.364   48.332   20.600 56.20908 28.27231 
1 1 1    6   18   57 o  117.283   14.765   39.058   7.8812   36.405   11.352   41.526   10.950  111.241   22.606  123.325   18.999 -12.08426 29.52951 
1 1 1    6   18   58 o   38.991   12.753  -6.7781   6.1866   3.1005   7.9238 -22.2018   9.9010   46.530   20.056   31.451   15.759 15.07950 25.50657 
1 1 1    6   18   59 o   71.084   16.199   17.114   6.0322   17.959   6.9941   14.660   11.918   77.295   19.394   64.873   25.951 12.42200 32.39702 
1 1 1    6   18   60 o   48.257   13.582   5.6615   4.7011   3.0158   6.6326   8.3325   6.6643   43.239   18.487   53.276   19.904 -10.03696 27.16478 
1 1 1    6   18   61 o   83.318   15.006   22.217   5.8180   20.865   7.7105   24.005   8.8657   81.313   20.341   85.324   22.068 -4.011177 30.01237 
1 1 1    6   18   62 f   38.064   12.271  -0.6359   4.9131   2.5724   6.9509  -3.8392   6.9455   41.802   18.387   34.327   16.256 7.475735 24.54247 
1 1 1    6   19    0 o  525.666   22.875  667.948   78.784  667.948   78.784  667.948   78.784  525.666   32.350  525.666   32.350 -0.000000 0.000000 
1 1 1    6   19    1 o  368.918   18.936  330.296   31.855  318.577   50.364  338.112   41.127  362.070   29.763  375.766   23.419 -13.69571 37.87218 
1 1 1    6   19    2 o  133.818   10.833   38.354   6.0765   51.490   12.205   34.024   7.0067  147.393   17.718  120.243   12.468 27.15030 21.66516 
1 1 1    6   19    3 o  331.751   21.624  262.697   33.527   0.0000   0.0000  262.697   33.527  ?   ?   331.751   21.624      ?      ? 
1 1 1    6   19    4 o  414.368   27.748  428.445   46.161  431.488   92.362  427.432   53.294  408.142   48.422  420.594   27.113 -12.45258 55.49572 
1 1 1    6   19    5 o  135.144   13.432   47.705   6.8065   37.230   13.430   51.325   7.8955  122.535   24.310  147.753   11.434 -25.21842 26.86493 
1 1 1    6   19    6 o   85.968   12.357   18.421   4.2286   16.646   8.5139   19.003   4.8720   82.042   21.824   89.893   11.597 -7.851151 24.71398 
1 1 1    6   19    7 o  125.096   11.254   35.169   5.8105   40.994   11.663   33.246   6.7013  131.325   19.003  118.867   12.063 12.45809 22.50868 
1 1 1    6   19    8 o  137.197   11.520   42.023   6.5565   50.122   13.115   39.325   7.5704  145.155   19.332  129.238   12.534 15.91785 23.04001 
1 1 1    6   19    9 o   56.692   12.891   6.4869   3.7678   10.848   6.5566   4.3369   4.6039   66.916   19.664   46.468   16.673 20.44715 25.78164 
1 1 1    6   19   10 o  175.471   17.028   84.430   10.792   58.558   21.517   93.126   12.474  152.190   31.297  198.753   13.430 -46.56346 34.05635 
1 1 1    6   19   11 f  283.451   22.043  217.758   23.504  158.518   46.953  237.567   27.150  250.683   40.077  316.220   18.371 -65.53705 44.08697 
1 1 1    6   19   12 o   90.407   11.343   18.949   4.1577   21.375   8.1601   18.099   4.8319   93.111   19.383   87.703   11.789 5.408180 22.68605 
1 1 1    6   19   13 o  205.277   17.329   99.970   16.625   0.0000   0.0000   99.970   16.625  ?   ?   205.277   17.329      ?      ? 
1 1 1    6   19   14 o  233.780   16.162  126.615   16.898  146.895   29.214  116.419   20.715  246.649   25.344  220.911   20.064 25.73817 32.32442 
1 1 1    6   19   15 o  102.813   9.6360   25.091   4.5607   19.897   6.3707   30.552   6.5321   91.738   14.859  113.887   12.272 -22.14950 19.27195 
1 1 1    6   19   16 o  261.973   15.519  164.869   18.959  176.774   26.773  152.894   26.852  271.735   21.082  252.210   22.781 19.52505 31.03847 
1 1 1    6   19   17 o  218.319   11.917  112.022   11.967  119.728   18.911  106.876   15.455  224.258   18.044  212.381   15.571 11.87697 23.83345 
1 1 1    6   19   18 o   61.942   10.472   9.7096   3.0321   6.8586   4.5554   11.977   4.0628   53.716   16.530   70.168   12.863 -16.45206 20.94487 
1 1 1    6   19   19 o  197.116   12.660   93.051   11.573   79.640   16.290  106.718   16.445  182.438   19.106  211.793   16.614 -29.35457 25.31925 
1 1 1    6   19   20 o  436.307   25.201  485.659   51.213  443.108   72.392  528.290   72.460  415.438   37.286  457.176   33.914 -41.73782 50.40194 
1 1 1    6   19   21 o  147.937   11.062   52.218   7.6277   55.373   10.656   48.902   10.924  152.651   14.936  143.222   16.320 9.428619 22.12301 
1 1 1    6   19   22 o  272.582   19.734  180.746   23.899  195.571   41.249  173.254   29.322  278.580   31.682  266.585   23.535 11.99588 39.46747 
1 1 1    6   19   23 o  150.286   16.792   53.952   11.794   0.0000   0.0000   53.952   11.794  ?   ?   150.286   16.792      ?      ? 
1 1 1    6   19   24 o  196.505   15.603   88.849   13.828  113.543   23.661   76.040   17.041  215.645   23.477  177.364   20.558 38.28021 31.20638 
1 1 1    6   19   25 o  243.248   21.861  150.995   24.360  183.144   34.483  118.968   34.418  271.456   27.181  215.040   34.247 56.41628 43.72232 
1 1 1    6   19   26 o  149.520   16.016   55.541   10.825   47.122   15.268   64.053   15.351  136.446   24.859  162.595   20.201 -26.14832 32.03241 
1 1 1    6   19   27 o  251.370   20.559  169.409   21.665  188.688   26.590  131.337   37.366  278.739   20.412  224.002   35.693 54.73726 41.11716 
1 1 1    6   19   28 o  166.528   17.319   66.767   13.479   66.767   13.479   0.0000   0.0000  166.528   17.319  ?   ?       ?      ? 
1 1 1    6   19   29 o  101.988   13.291   23.117   5.9810   39.527   10.227   14.587   7.3734  128.013   17.094   75.962   20.357 52.05077 26.58220 
1 1 1    6   19   30 o   89.753   11.379   19.662   4.5748   13.370   6.1987   27.188   6.7797   72.817   18.251  106.689   13.597 -33.87226 22.75883 
1 1 1    6   19   31 o  371.305   22.248  362.102   38.486  332.271   54.368  392.066   54.489  354.127   32.850  388.484   30.012 -34.35718 44.49548 
1 1 1    6   19   32 o  103.016   25.276   27.624   12.078   0.0000   0.0000   27.624   12.078  ?   ?   103.016   25.276      ?      ? 
1 1 1    6   19   33 f   95.938   23.601   23.783   10.509   23.783   10.509   0.0000   0.0000   95.938   23.601  ?   ?       ?      ? 
1 1 1    6   19   34 o  121.759   16.771   37.584   9.3252   30.042   12.716   46.359   13.716  106.808   25.770  136.710   21.468 -29.90191 33.54105 
1 1 1    6   19   35 o  121.624   17.603   38.836   9.7849   43.633   13.330   33.232   14.408  132.186   21.578  111.062   27.819 21.12358 35.20640 
1 1 1    6   19   36 o  219.067   21.377  135.154   18.946  107.822   32.772  148.876   23.220  193.286   37.633  244.848   20.292 -51.56207 42.75497 
1 1 1    6   19   37 o  223.421   21.474  132.535   22.420  130.607   31.426  134.534   31.996  221.815   30.314  225.027   30.424 -3.212387 42.94894 
1 1 1    6   19   38 o   46.905   14.370  -1.0416   5.8195  -3.9101   7.6667   2.8583   8.9393   40.629   18.472   53.181   22.018 -12.55264 28.73997 
1 1 1    6   19   39 o  200.485   17.775  105.536   15.250  111.375   18.625   93.663   26.561  212.930   18.717  188.039   30.224 24.89087 35.54967 
1 1 1    6   19   40 o  248.310   24.980  172.404   27.760  140.439   39.148  204.733   39.370  219.227   39.670  277.393   30.369 -58.16638 49.96017 
1 1 1    6   19   41 o   96.614   15.567   24.931   6.7086   22.398   11.053   26.409   8.4414   91.266   25.120  101.963   18.391 -10.69772 31.13315 
1 1 1    6   19   42 o   62.312   14.628   9.9428   5.0390   12.322   5.7942   2.5577   10.208   69.441   17.778   55.183   23.235 14.25859 29.25618 
1 1 1    6   19   43 o  150.312   17.738   63.444   10.693   70.133   12.909   48.823   19.085  169.301   16.315  131.322   31.501 37.97913 35.47575 
1 1 1    6   19   44 o   95.631   12.795   22.934   5.5773   18.875   7.5738   27.741   8.2436   85.203   19.448  106.059   16.631 -20.85560 25.58990 
1 1 1    6   19   45 o  163.194   20.961   78.435   15.116  115.666   21.272   40.458   21.484  212.299   21.440  114.089   36.024 98.21034 41.92101 
1 1 1    6   19   46 o   62.283   16.355   8.5274   6.3451   6.3840   8.4898   11.240   9.5503   57.101   22.187   67.464   24.035 -10.36375 32.70953 
1 1 1    6   19   47 o   95.456   17.102   24.261   7.9234   15.047   10.549   36.188   12.002   75.030   25.339  115.881   22.973 -40.85133 34.20303 
1 1 1    6   19   48 o   59.796   16.230   6.5980   6.3981   2.7919   8.2561   12.320   10.123   50.268   21.014   69.323   24.740 -19.05562 32.46032 
1 1 1    6   19   49 o  136.516   18.112   51.483   11.248   42.037   15.405   62.270   16.462  120.348   27.929  152.685   23.070 -32.33713 36.22477 
1 1 1    6   19   50 o  102.246   16.735   30.461   7.8637   34.595   9.8344   23.131   13.095  116.238   18.103   88.253   28.152 27.98438 33.47018 
1 1 1    6   19   51 o   38.879   12.268  -3.1546   4.7000   2.6415   7.0512  -7.7884   6.3047   46.542   19.435   31.216   14.976 15.32611 24.53576 
1 1 1    6   19   52 o   96.158   14.915   25.643   6.5377   21.632   9.3321   29.509   9.1615   87.444   22.653  104.873   19.407 -17.42960 29.82935 
1 1 1    6   19   53 f   83.332   14.338   23.501   6.5333   31.159   7.5848   1.4824   12.862  111.165   14.599   55.498   24.681 55.66765 28.67587 
1 1 1    6   19   54 o   74.907   17.330   15.364   6.9290   9.7667   8.5792   25.865   11.751   60.094   22.557   89.720   26.314 -29.62556 34.65913 
1 1 1    6   19   55 o   44.427   14.115  -0.5716   5.6969  -1.3017   6.8886   1.0082   10.133   39.489   17.773   49.366   21.933 -9.877651 28.23047 
1 1 1    6   19   56 o   46.696   14.379  -3.3178   5.9435 -10.3553   7.2818   10.728   10.287   31.557   15.366   61.836   24.309 -30.27910 28.75857 
1 1 1    6   19   57 o   68.911   17.531   15.753   7.0422   14.667   8.8662   17.609   11.591   67.235   23.219   70.587   26.273 -3.352379 35.06263 
1 1 1    6   19   58 o   59.485   14.830   11.021   5.2038   12.652   7.0291   9.0439   7.7409   63.545   20.661   55.425   21.280 8.120327 29.66018 
1 1 1    6   19   59 o   39.792   12.533   0.3124   4.7509  -1.9737   6.5622   2.8305   6.8871   36.218   16.698   43.365   18.695 -7.147552 25.06626 
1 1 1    6   19   60 o   37.074   12.083  -2.7954   5.0128  -7.6964   7.0419   2.2393   7.1372   31.734   15.373   42.415   18.645 -10.68120 24.16538 
1 1 1    6   19   61 o   53.892   14.403   9.4634   5.0948   11.933   7.0262   6.7248   7.3985   59.116   20.655   48.667   20.080 10.44857 28.80689 
1 1 1    6   20    0 o  191.028   10.045   87.101   12.521   87.101   12.521   87.101   12.521  191.028   14.206  191.028   14.206 -0.000000 0.000000 
1 1 1    6   20    1 o  159.721   9.9809   61.002   7.2355   56.631   11.474   63.888   9.3229  154.699   15.870  164.743   12.109 -10.04416 19.96182 
1 1 1    6   20    2 o  203.868   11.674   99.393   10.826   94.095   17.162  102.895   13.951  198.967   18.456  208.768   14.299 -9.800980 23.34717 
1 1 1    6   20    3 o  168.083   12.891   66.572   10.127   0.0000   0.0000   66.572   10.127  ?   ?   168.083   12.891      ?      ? 
1 1 1    6   20    4 o  448.087   23.752  444.459   44.781  623.017   89.691  385.168   51.684  497.904   38.544  398.269   27.767 99.63474 47.50474 
1 1 1    6   20    5 o  293.419   25.317  242.167   26.550  168.814   53.003  266.737   30.675  252.252   46.679  334.586   19.617 -82.33441 50.63368 
1 1 1    6   20    6 o  487.385   39.662  673.693   80.872  549.282  140.007  735.987   99.071  434.566   68.937  540.205   39.241 -105.6387 79.32307 
1 1 1    6   20    7 o  453.684   28.800  501.781   61.064   0.0000   0.0000  501.781   61.064  ?   ?   453.684   28.800      ?      ? 
1 1 1    6   20    8 o  399.994   25.842  387.074   48.309   0.0000   0.0000  387.074   48.309  ?   ?   399.994   25.842      ?      ? 
1 1 1    6   20    9 o  138.411   11.826   45.103   7.6501   0.0000   0.0000   45.103   7.6501  ?   ?   138.411   11.826      ?      ? 
1 1 1    6   20   10 o  223.034   15.742  117.821   16.409   0.0000   0.0000  117.821   16.409  ?   ?   223.034   15.742      ?      ? 
1 1 1    6   20   11 o  472.526   27.594  524.512   54.240  665.539  108.565  477.601   62.615  504.316   46.062  440.736   30.399 63.58078 55.18887 
1 1 1    6   20   12 o  245.458   20.719  144.323   23.768   0.0000   0.0000  144.323   23.768  ?   ?   245.458   20.719      ?      ? 
1 1 1    6   20   13 o  195.117   17.016  102.434   12.139   76.210   24.267  111.188   14.020  173.360   31.094  216.874   13.832 -43.51418 34.03159 
1 1 1    6   20   14 o  142.256   14.615   54.979   7.5589   39.368   15.159   60.145   8.7203  124.777   26.795  159.734   11.681 -34.95705 29.23090 
1 1 1    6   20   15 o  146.727   13.430   52.312   8.5852   49.292   14.912   53.809   10.500  142.840   22.337  150.614   14.917 -7.774246 26.86023 
1 1 1    6   20   16 o  305.520   26.269  240.291   37.349  216.780   52.772  263.885   52.866  289.051   39.065  321.988   35.131 -32.93652 52.53811 
1 1 1    6   20   17 o  139.562   13.077   47.386   7.9125   44.751   13.873   48.656   9.6328  135.948   21.836  143.176   14.396 -7.228622 26.15403 
1 1 1    6   20   18 o   98.221   13.334   26.394   5.5533   15.846   9.3332   32.174   6.9095   79.830   23.462  116.612   12.678 -36.78233 26.66864 
1 1 1    6   20   19 o   46.835   11.292   3.2541   3.3216   8.8824   5.0634  -0.9979   4.4009   60.195   17.162   33.476   14.680 26.71918 22.58366 
1 1 1    6   20   20 o  136.365   14.664   44.964   9.3357   42.540   13.172   47.412   13.234  132.553   21.262  140.177   20.201 -7.623260 29.32831 
1 1 1    6   20   21 o  147.432   15.909   54.136   10.456   41.572   14.696   67.018   14.880  128.014   25.460  166.849   19.083 -38.83476 31.81739 
1 1 1    6   20   22 o  143.663   14.800   50.055   9.9183   46.116   13.866   54.182   14.193  137.720   21.544  149.606   20.299 -11.88568 29.60014 
1 1 1    6   20   23 o   56.103   11.143   8.1058   3.6380   12.755   4.4441  -1.3376   6.3339   72.131   13.684   40.075   17.591 32.05589 22.28694 
1 1 1    6   20   24 o  221.077   15.102  111.610   14.948   94.569   18.222  146.668   26.136  197.578   19.734  244.576   22.866 -46.99796 30.20396 
1 1 1    6   20   25 o  187.967   14.661   82.369   12.323   74.040   15.067   99.203   21.420  175.057   18.416  200.876   22.817 -25.81874 29.32139 
1 1 1    6   20   26 f  194.747   12.850   92.045   11.656   99.203   16.346   84.641   16.625  202.805   17.246  186.688   19.054 16.11639 25.70035 
1 1 1    6   20   27 f  208.357   13.744  105.891   13.382  104.213   18.739  107.637   19.116  206.691   19.399  210.024   19.476 -3.333389 27.48859 
1 1 1    6   20   28 o  274.753   16.413  188.201   21.073  189.671   29.721  186.714   29.884  275.954   23.045  273.552   23.375 2.402557 32.82516 
1 1 1    6   20   29 o   83.357   14.654   19.522   5.7097   23.285   6.7084   9.6315   10.876   98.568   14.563   68.146   25.433 30.42197 29.30724 
1 1 1    6   20   30 o   72.232   24.503   12.452   9.8642   0.0000   0.0000   12.452   9.8642  ?   ?    72.232   24.503      ?      ? 
1 1 1    6   20   31 o  169.826   13.911   66.516   10.453   58.664   12.599   83.858   18.725  155.564   17.330  184.087   21.765 -28.52280 27.82153 
1 1 1    6   20   32 o   34.232   11.586  -9.2869   5.1417  -8.8558   6.6385  -9.9332   8.1288   32.217   15.432   36.247   17.285 -4.030407 23.17148 
1 1 1    6   20   33 f  157.223   18.069   64.369   12.837   73.586   18.113   55.066   18.197  171.003   22.664  143.444   28.149 27.55930 36.13895 
1 1 1    6   20   34 o   61.304   14.698   8.5994   4.8142   10.196   8.2881   7.7862   5.9142   65.433   22.458   57.175   18.969 8.257721 29.39683 
1 1 1    6   20   35 o  154.099   15.823   62.393   10.129   53.760   17.488   66.751   12.426  142.305   27.289  165.893   16.027 -23.58736 31.64696 
1 1 1    6   20   36 o  176.938   25.876   80.443   21.398   80.443   21.398   0.0000   0.0000  176.938   25.876  ?   ?       ?      ? 
1 1 1    6   20   37 o  198.877   21.018  106.169   18.482   79.836   26.028  132.951   26.249  169.099   34.112  228.655   24.563 -59.55632 42.03530 
1 1 1    6   20   38 o  151.298   14.266   55.530   9.6259   60.913   16.534   52.770   11.839  155.549   22.744  147.046   17.228 8.502304 28.53227 
1 1 1    6   20   39 o  223.192   22.277  144.303   19.916  158.443   24.294  115.327   34.776  251.035   20.707  195.349   39.450 55.68584 44.55465 
1 1 1    6   20   40 o   60.779   13.041   8.6722   4.5737   14.841   6.2809   1.7085   6.6733   76.153   17.943   45.406   18.930 30.74691 26.08193 
1 1 1    6   20   41 o  115.670   16.293   37.270   7.8027   41.068   9.3263   28.411   14.244  129.928   15.359  101.412   28.740 28.51620 32.58697 
1 1 1    6   20   42 o   71.107   14.715   10.487   7.0032   25.216   9.3476  -8.3585   10.573   98.161   21.010   44.053   20.608 54.10807 29.43018 
1 1 1    6   20   43 o  107.868   16.684   30.273   8.4382   20.534   11.283   42.633   12.711   86.555   25.886  129.182   21.054 -42.62674 33.36742 
1 1 1    6   20   44 o   57.497   16.098   6.0042   6.4299   6.7867   8.8496   5.1292   9.3583   58.446   22.668   56.547   22.863 1.899063 32.19529 
1 1 1    6   20   45 o   37.681   12.491  -7.7423   5.4747 -11.4072   7.1650  -2.6007   8.4866   31.535   15.330   43.826   19.726 -12.29113 24.98286 
1 1 1    6   20   46 o   56.934   21.989   6.6532   8.3006   6.6532   8.3006   0.0000   0.0000   56.934   21.989  ?   ?       ?      ? 
1 1 1    6   20   47 o   44.625   19.464  -0.0003   7.6445  -0.0003   7.6445   0.0000   0.0000   44.625   19.464  ?   ?       ?      ? 
1 1 1    6   20   48 o   87.027   18.846   20.036   7.4429   20.036   7.4429   0.0000   0.0000   87.027   18.846  ?   ?       ?      ? 
1 1 1    6   20   49 o  149.410   12.898   57.737   9.0029   55.775   12.687   59.726   12.777  146.637   18.513  152.183   17.965 -5.545929 25.79682 
1 1 1    6   20   50 o  124.467   15.297   35.602   8.1343   71.130   14.926   20.592   9.7017  164.321   19.435   84.612   23.628 79.70854 30.59438 
1 1 1    6   20   51 o   54.203   14.439   5.2475   5.1667   0.8395   6.6960   11.734   8.1226   42.732   18.428   65.674   22.235 -22.94168 28.87870 
1 1 1    6   20   52 o   86.135   18.888   22.998   9.7503   37.100   13.456   7.4076   14.148  109.691   26.536   62.578   26.885 47.11279 37.77530 
1 1 1    6   20   53 o   71.853   17.487   15.997   6.9648   16.460   8.4474   15.013   12.308   74.035   22.457   69.672   26.813 4.363319 34.97497 
1 1 1    6   20   54 o   63.134   15.071   11.128   6.2895   17.759   7.7649  -1.5241   10.725   78.438   20.831   47.829   21.785 30.60942 30.14134 
1 1 1    6   20   55 o   75.290   18.593   19.673   8.2390   15.860   12.505   22.598   10.952   68.779   26.871   81.800   25.706 -13.02120 37.18635 
1 1 1    6   20   56 o   62.751   13.843   11.341   5.3175   19.479   7.3272   2.2853   7.7290   80.750   19.611   44.753   19.544 35.99757 27.68654 
1 1 1    6   20   57 o   51.522   12.738   6.3546   5.2758   13.922   6.1096 -15.8308   10.461   67.974   18.663   35.070   17.341 32.90427 25.47605 
1 1 1    6   20   58 o   56.907   14.515   9.5831   5.0622   6.1566   6.8468   13.714   7.5181   48.935   19.636   64.878   21.381 -15.94285 29.02955 
1 1 1    6   20   59 o   34.265   11.337  -3.0720   4.5741  -1.0598   6.2226  -5.4372   6.7465   35.894   16.441   32.637   15.614 3.256371 22.67396 
1 1 1    6   21    0 o  301.402   17.021  219.900   33.410  219.900   33.410  219.900   33.410  301.402   24.072  301.402   24.072 -0.000000 0.000000 
1 1 1    6   21    1 o  358.969   20.151  317.178   33.532  272.686   47.393  361.780   47.451  332.426   30.505  385.512   26.337 -53.08569 40.30149 
1 1 1    6   21    2 o  302.565   20.192  214.034   27.368  261.835   47.471  190.235   33.495  325.296   31.225  279.833   25.611 45.46249 40.38496 
1 1 1    6   21    3 o  376.936   24.162  343.809   42.564   0.0000   0.0000  343.809   42.564  ?   ?   376.936   24.162      ?      ? 
1 1 1    6   21    4 o  374.169   22.921  333.367   35.192  381.102   70.485  317.516   40.617  386.091   39.063  362.246   23.992 23.84531 45.84188 
1 1 1    6   21    5 o  125.518   13.195   38.362   7.0596   37.419   12.225   38.834   8.6470  122.960   22.086  128.076   14.446 -5.115044 26.39085 
1 1 1    6   21    6 o  119.991   11.491   31.626   6.1931   45.543   10.647   24.509   7.6139  138.405   16.459  101.576   16.039 36.82871 22.98154 
1 1 1    6   21    7 o  147.016   11.558   48.620   7.0491   57.540   14.070   45.630   8.1451  155.009   19.422  139.023   12.536 15.98662 23.11641 
1 1 1    6   21    8 o  358.381   34.700  400.685   42.504  251.515   84.932  450.526   49.094  286.276   64.969  430.486   24.402 -144.2110 69.40035 
1 1 1    6   21    9 o  319.762   30.612  310.663   36.469  175.935   63.030  378.463   44.713  245.147   56.213  394.377   24.259 -149.2301 61.22463 
1 1 1    6   21   10 o  324.097   24.636  273.941   34.397  245.953   59.493  287.994   42.157  305.682   41.644  342.511   26.336 -36.82950 49.27300 
1 1 1    6   21   11 o  273.883   23.205  182.383   29.702   0.0000   0.0000  182.383   29.702  ?   ?   273.883   23.205      ?      ? 
1 1 1    6   21   12 o  476.766   39.935  596.478   88.981   0.0000   0.0000  596.478   88.981  ?   ?   476.766   39.935      ?      ? 
1 1 1    6   21   13 o  174.219   23.670   74.029   19.272   0.0000   0.0000   74.029   19.272  ?   ?   174.219   23.670      ?      ? 
1 1 1    6   21   14 o  104.997   20.590   27.457   9.7425   0.0000   0.0000   27.457   9.7425  ?   ?   104.997   20.590      ?      ? 
1 1 1    6   21   15 o  115.176   21.563   33.072   11.180   0.0000   0.0000   33.072   11.180  ?   ?   115.176   21.563      ?      ? 
1 1 1    6   21   16 o  310.136   27.190  252.275   39.149  222.312   55.349  282.273   55.382  289.462   40.914  330.809   35.822 -41.34723 54.38020 
1 1 1    6   21   17 o  216.574   27.602  116.607   27.938   0.0000   0.0000  116.607   27.938  ?   ?   216.574   27.602      ?      ? 
1 1 1    6   21   18 f  112.635   11.741   29.312   5.8881   33.808   10.273   27.112   7.1854  118.517   18.548  106.753   14.402 11.76414 23.48275 
1 1 1    6   21   19 o  312.679   18.378  242.428   26.844  234.314   37.965  250.541   37.960  307.126   26.450  318.233   25.524 -11.10730 36.75664 
1 1 1    6   21   20 o   98.355   10.445   23.729   4.5584   29.819   6.4645   17.706   6.4288  112.173   12.331   84.537   16.863 27.63679 20.89092 
1 1 1    6   21   21 o   74.514   13.152   14.299   4.3865   15.327   5.2994   12.062   7.8175   78.916   14.915   70.111   21.667 8.805099 26.30437 
1 1 1    6   21   22 o  130.793   15.698   42.677   9.3528   45.605   13.067   39.601   13.393  136.784   20.441  124.802   23.831 11.98137 31.39647 
1 1 1    6   21   23 o   51.769   11.611   6.3771   3.3329   8.7672   4.3345   2.9198   5.2132   59.382   15.465   44.156   17.322 15.22688 23.22120 
1 1 1    6   21   24 o   50.353   12.545   5.5239   3.7293   2.9158   6.1256   7.0598   4.7008   46.618   18.620   54.089   16.816 -7.471462 25.08935 
1 1 1    6   21   25 o  273.867   26.145  205.404   33.279  225.614   46.917  184.941   47.210  289.899   34.629  257.836   39.179 32.06332 52.28918 
1 1 1    6   21   26 o   55.426   14.810   2.6828   5.7020  -3.7095   7.3843   12.123   8.9737   40.165   18.209   70.687   23.362 -30.52253 29.62036 
1 1 1    6   21   27 o  214.575   28.179  117.561   28.258  117.561   28.258   0.0000   0.0000  214.575   28.179  ?   ?       ?      ? 
1 1 1    6   21   28 o  210.118   28.175  113.099   27.667  113.099   27.667   0.0000   0.0000  210.118   28.175  ?   ?       ?      ? 
1 1 1    6   21   29 o   88.792   16.455   20.166   7.1588   13.006   9.8888   28.050   10.377   73.017   24.534  104.566   21.934 -31.54863 32.90969 
1 1 1    6   21   30 o  111.035   23.585   32.098   11.861   32.098   11.861   0.0000   0.0000  111.035   23.585  ?   ?       ?      ? 
1 1 1    6   21   31 o   76.729   14.928   15.347   5.4442   13.702   8.9895   16.300   6.8415   73.520   23.312   79.938   18.653 -6.418282 29.85609 
1 1 1    6   21   32 o   83.715   14.359   19.429   5.8617   9.5023   9.8094   24.943   7.3104   65.899   24.237  101.531   15.406 -35.63152 28.71890 
1 1 1    6   21   33 o  167.402   12.196   68.374   9.5402   69.203   13.427   67.530   13.558  168.507   17.050  166.297   17.444 2.209625 24.39281 
1 1 1    6   21   34 o  174.643   13.983   69.348   10.809   57.659   12.986   95.725   19.506  153.387   18.115  195.899   21.306 -42.51237 27.96580 
1 1 1    6   21   35 o  213.295   13.637  112.920   13.347   88.809   18.754  137.663   18.998  188.862   21.247  237.727   17.100 -48.86525 27.27370 
1 1 1    6   21   36 o  152.980   11.591   57.494   8.1071   71.454   11.550   43.938   11.382  172.179   14.354  133.781   18.205 38.39824 23.18277 
1 1 1    6   21   37 o   40.043   11.891   0.9711   3.7638   1.0816   5.2204   0.8516   5.4316   39.918   16.701   40.168   16.933 -0.2500305 23.78293 
1 1 1    6   21   38 o  138.071   13.463   44.887   8.2574   55.623   14.621   39.859   10.006  148.640   21.048  127.501   16.792 21.13856 26.92516 
1 1 1    6   21   39 o  116.904   12.926   32.215   6.7826   28.479   8.3194   39.619   11.713  107.868   16.503  125.940   19.900 -18.07166 25.85242 
1 1 1    6   21   40 o  190.745   17.306   97.130   14.220  101.963   17.456   87.596   24.519  202.273   18.466  179.217   29.274 23.05530 34.61168 
1 1 1    6   21   41 o  112.068   16.375   36.279   7.7634   41.258   9.3466   25.199   13.942  129.687   15.421   94.449   28.893 35.23832 32.75079 
1 1 1    6   21   42 o  103.134   16.899   26.416   8.1452   26.416   8.1452   0.0000   0.0000  103.134   16.899  ?   ?       ?      ? 
1 1 1    6   21   43 o   91.552   24.413   23.069   10.637   23.069   10.637   0.0000   0.0000   91.552   24.413  ?   ?       ?      ? 
1 1 1    6   21   44 o   79.124   26.589   17.200   11.614   0.0000   0.0000   17.200   11.614  ?   ?    79.124   26.589      ?      ? 
1 1 1    6   21   45 o   34.941   16.943 -12.6171   8.6037   0.0000   0.0000 -12.6171   8.6037  ?   ?    34.941   16.943      ?      ? 
1 1 1    6   21   46 o  129.083   18.891   47.449   11.020   45.986   15.429   48.972   15.746  126.871   26.859  131.296   26.573 -4.425224 37.78274 
1 1 1    6   21   47 o   38.800   12.392  -2.3709   4.8101   0.8851   5.7282 -10.1569   8.8580   40.399   17.224   37.200   17.821 3.199226 24.78463 
1 1 1    6   21   48 o   62.341   15.648   10.238   5.7636   11.811   7.3563   7.7368   9.2753   65.810   21.112   58.872   23.102 6.938110 31.29526 
1 1 1    6   21   49 o   85.521   18.234   20.196   7.1353   18.662   8.2101   24.930   14.425   81.905   21.262   89.138   29.627 -7.233566 36.46714 
1 1 1    6   21   50 o   66.378   18.785   11.072   8.8578   12.410   11.884   9.4001   13.286   67.941   26.291   64.815   26.839 3.125847 37.57098 
1 1 1    6   21   51 o   79.545   20.138   21.191   9.4600   20.911   12.638   21.547   14.266   79.555   27.707   79.535   29.232 0.1963043E-01 40.27641 
1 1 1    6   21   52 o   59.955   17.422   4.4015   8.4837  -6.1217   11.263   18.203   12.898   44.800   21.057   75.110   27.763 -30.30959 34.84471 
1 1 1    6   21   53 o   71.921   26.894   16.687   12.173   16.687   12.173   0.0000   0.0000   71.921   26.894  ?   ?       ?      ? 
1 1 1    6   21   54 o   61.843   17.974   10.308   8.5716   3.5981   11.517   18.641   12.834   52.069   23.242   71.618   27.424 -19.54889 35.94779 
1 1 1    6   21   55 o   39.575   12.509   0.2583   4.6834   1.0032   6.0120  -0.8915   7.4693   39.179   17.170   39.970   18.195 -0.7912025 25.01759 
1 1 1    6   21   56 o   42.494   12.365   2.8255   4.4053   6.7386   5.3785  -5.1500   7.6786   49.199   17.969   35.789   16.990 13.41023 24.72921 
1 1 1    6   21   57 o   64.606   12.666   12.744   5.2382   22.853   6.8913  -1.0878   8.0612   88.829   17.222   40.383   18.577 48.44567 25.33171 
1 1 1    6   21   58 o   70.845   15.232   19.128   5.7459   20.763   6.4736   13.057   12.474   83.364   17.187   58.325   25.152 25.03925 30.46337 
1 1 1    6   22    0 o  226.144   14.129  124.076   20.738  124.076   20.738  124.076   20.738  226.144   19.981  226.144   19.981 -0.000000 0.000000 
1 1 1    6   22    1 o  125.172   14.347   37.201   8.3927   37.201   8.3927   0.0000   0.0000  125.172   14.347  ?   ?       ?      ? 
1 1 1    6   22    2 o  281.471   24.461  202.450   32.176  203.773   45.455  201.122   45.552  282.507   34.428  280.436   34.756 2.071411 48.92134 
1 1 1    6   22    3 f   96.449   14.361   23.291   6.2748   26.635   8.8789   19.954   8.8689  103.804   19.002   89.094   21.538 14.71027 28.72222 
1 1 1    6   22    4 o  323.154   39.975  274.528   60.373   0.0000   0.0000  274.528   60.373  ?   ?   323.154   39.975      ?      ? 
1 1 1    6   22    5 o  271.730   33.483  187.689   42.521   0.0000   0.0000  187.689   42.521  ?   ?   271.730   33.483      ?      ? 
1 1 1    6   22    6 o  123.401   19.979   36.699   11.522   0.0000   0.0000   36.699   11.522  ?   ?   123.401   19.979      ?      ? 
1 1 1    6   22   11 f  212.564   27.032  112.055   26.855   0.0000   0.0000  112.055   26.855  ?   ?   212.564   27.032      ?      ? 
1 1 1    6   22   12 o  469.225   39.971  585.281   87.654   0.0000   0.0000  585.281   87.654  ?   ?   469.225   39.971      ?      ? 
1 1 1    6   22   13 o  374.786   38.515  459.376   53.928  275.593   93.289  551.612   66.089  282.224   70.838  467.347   30.258 -185.1229 77.02954 
1 1 1    6   22   14 o  317.661   20.650  237.938   29.445  315.897   51.124  199.239   36.020  352.665   31.019  282.658   27.267 70.00717 41.29931 
1 1 1    6   22   15 o  303.568   26.906  244.184   38.145  253.721   53.987  234.676   53.904  310.249   37.233  296.886   38.850 13.36273 53.81115 
1 1 1    6   22   16 o   62.383   13.834   8.9693   4.7877   13.647   6.6982   4.0829   6.8460   73.780   19.230   50.986   19.892 22.79428 27.66739 
1 1 1    6   22   17 f  203.620   13.062  100.491   12.355  112.903   17.491   88.128   17.455  216.631   17.276  190.610   19.595 26.02097 26.12302 
1 1 1    6   22   18 o   97.449   9.9796   22.699   4.5311   24.657   6.3997   20.731   6.4163  101.762   13.456   93.136   14.741 8.626015 19.95924 
1 1 1    6   22   19 o  121.377   10.320   35.623   5.7077   45.286   8.1671   26.397   7.9800  137.994   12.664  104.759   16.299 33.23531 20.64081 
1 1 1    6   22   20 o  106.052   12.008   24.506   5.4984   41.064   9.7019   16.672   6.6736  130.653   15.889   81.452   18.010 49.20184 24.01688 
1 1 1    6   22   21 o  118.906   11.144   35.498   5.6398   21.582   7.8764   50.141   8.0794   92.589   18.843  145.224   11.904 -52.63543 22.28838 
1 1 1    6   22   22 o  210.215   14.894  102.776   13.952   89.825   16.939  130.097   24.603  191.867   18.891  228.563   23.032 -36.69644 29.78832 
1 1 1    6   22   23 o  185.267   22.621  100.748   18.746  170.894   26.393   29.339   26.630  263.349   21.445  107.185   39.837 156.1639 45.24265 
1 1 1    6   22   25 o  109.545   23.662   30.950   11.760   0.0000   0.0000   30.950   11.760  ?   ?   109.545   23.662      ?      ? 
1 1 1    6   22   26 o  110.917   15.485   31.206   7.7245   27.136   10.451   36.106   11.467  102.621   22.419  119.214   21.367 -16.59333 30.97026 
1 1 1    6   22   27 o  243.357   20.528  159.957   21.353  139.777   36.885  170.129   26.188  225.429   35.010  261.285   21.446 -35.85597 41.05629 
1 1 1    6   22   28 o  118.533   15.501   41.347   7.6558   21.027   12.799   52.668   9.5532   89.068   27.756  147.999   13.812 -58.93105 31.00293 
1 1 1    6   22   29 o  119.812   15.125   37.300   7.7533   33.414   13.124   39.383   9.6096  112.276   25.582  127.348   16.146 -15.07249 30.25093 
1 1 1    6   22   30 o  144.836   11.891   51.411   7.9107   40.481   11.080   62.777   11.299  128.425   18.460  161.248   14.993 -32.82338 23.78146 
1 1 1    6   22   31 o  120.275   11.572   35.319   6.4695   38.043   8.9644   32.357   9.3462  125.432   15.292  115.119   17.372 10.31332 23.14366 
1 1 1    6   22   32 o  210.031   16.703  110.144   15.516  107.193   19.027  116.001   26.806  208.404   19.536  211.657   27.099 -3.252960 33.40639 
1 1 1    6   22   33 o  198.089   14.033   98.438   12.645  122.357   17.818   74.168   17.948  224.154   17.009  172.023   22.325 52.13066 28.06619 
1 1 1    6   22   34 o  108.803   15.591   32.736   7.3195   23.258   12.452   37.739   9.0475   92.947   27.039  124.660   15.530 -31.71289 31.18142 
1 1 1    6   22   35 o   88.713   12.622   20.041   5.1449   12.020   7.1171   28.821   7.4461   68.467   20.578  108.958   14.623 -40.49121 25.24452 
1 1 1    6   22   36 o  179.599   12.556   79.501   10.514   73.037   14.784   86.117   14.956  171.863   18.406  187.335   17.082 -15.47211 25.11157 
1 1 1    6   22   37 o  152.593   16.893   59.923   12.045   60.870   16.994   58.968   17.074  153.962   23.618  151.223   24.158 2.738861 33.78523 
1 1 1    6   22   38 o   86.341   17.124   19.903   7.2541   24.050   10.557   16.192   9.9847   94.523   23.887   78.159   24.542 16.36336 34.24744 
1 1 1    6   22   39 o  133.221   17.973   48.142   10.776   46.715   15.426   49.502   15.060  130.712   26.165  135.731   24.648 -5.019714 35.94641 
1 1 1    6   22   41 o  103.245   24.655   29.324   11.732   0.0000   0.0000   29.324   11.732  ?   ?   103.245   24.655      ?      ? 
1 1 1    6   22   44 o   55.470   22.027   5.7775   8.5261   5.7775   8.5261   0.0000   0.0000   55.470   22.027  ?   ?       ?      ? 
1 1 1    6   22   45 o   62.049   20.542   10.041   6.9372   10.041   6.9372   0.0000   0.0000   62.049   20.542  ?   ?       ?      ? 
1 1 1    6   22   46 o   39.039   12.236  -1.4836   4.4327  -3.7768   5.8475   1.6143   6.7965   33.820   15.652   44.258   18.813 -10.43778 24.47266 
1 1 1    6   22   47 o   64.777   16.683   10.856   6.0565   11.435   6.8965   8.9059   12.663   65.006   20.394   64.549   26.408 0.4577637 33.36605 
1 1 1    6   22   48 o   57.690   16.325   7.1281   6.6140   4.6888   11.065   8.4842   8.2502   56.563   24.023   58.818   22.112 -2.255291 32.65017 
1 1 1    6   22   49 f   71.492   19.370   15.418   9.0083   15.256   11.911   15.635   13.770   71.115   26.601   71.869   28.164 -0.7534637 38.74022 
1 1 1    6   22   50 o  105.726   21.767   39.473   11.373   37.374   15.394   41.996   16.875  103.480   30.052  107.972   31.496 -4.491524 43.53302 
1 1 1    6   22   51 o  122.669   22.367   53.957   13.222   62.592   17.955   43.727   19.545  139.328   28.534  106.009   34.451 33.31913 44.73343 
1 1 1    6   22   52 o   66.465   17.687   12.731   8.3266   23.161   11.714   2.0810   11.838   81.445   26.682   51.484   23.224 29.96108 35.37310 
1 1 1    6   22   53 o   64.162   17.108   12.870   6.7583   16.913   11.339   10.642   8.4166   69.188   25.940   59.135   22.312 10.05378 34.21570 
1 1 1    6   22   54 o   63.623   15.222   13.233   5.5534   15.691   7.3572   9.9791   8.4663   70.227   20.881   57.020   22.156 13.20785 30.44484 
1 1 1    6   22   55 o   38.750   12.424  -0.7555   4.7342  -2.3540   6.0552   1.7581   7.5931   34.433   15.933   43.067   19.067 -8.633724 24.84771 
1 1 1    6   22   56 f   58.548   13.560   6.7322   5.7802   22.879   8.4509  -7.4620   7.9234   83.085   21.573   34.012   16.436 49.07226 27.12066 
1 1 1    6   22   57 o   88.440   17.414   23.534   6.9413   23.534   6.9413   0.0000   0.0000   88.440   17.414  ?   ?       ?      ? 
1 1 1    6   23    0 o  230.846   14.425  129.637   21.614  129.637   21.614  129.637   21.614  230.846   20.400  230.846   20.400 -0.000000 0.000000 
1 1 1    6   23    1 o   42.310   10.051   2.7200   2.7153  -1.2906   3.7063   7.3667   3.9895   29.872   13.269   54.748   15.102 -24.87602 20.10266 
1 1 1    6   23    2 o  202.690   12.891   98.959   12.188   92.179   17.245  105.726   17.228  195.537   18.870  209.844   17.567 -14.30663 25.78139 
1 1 1    6   23    3 o  441.532   29.676  493.576   58.854  662.604  102.012  409.245   72.055  490.821   44.472  392.243   39.307 98.57880 59.35297 
1 1 1    6   23    4 o  245.482   14.825  146.648   16.949  132.819   23.931  160.566   24.007  233.404   21.939  257.559   19.945 -24.15460 29.64936 
1 1 1    6   23    5 f  251.845   19.882  162.906   21.583  146.525   37.417  171.074   26.422  238.525   33.566  265.166   21.321 -26.64078 39.76500 
1 1 1    6   23    6 o  165.607   14.144   66.641   10.263   65.761   17.835   67.077   12.549  163.744   23.305  167.471   16.034 -3.727646 28.28797 
1 1 1    6   23    7 o  288.834   23.102  221.058   28.526  192.840   49.432  235.148   34.929  268.685   39.366  308.983   24.189 -40.29865 46.20374 
1 1 1    6   23    8 o  270.329   23.961  190.145   29.836  224.370   42.280  156.197   42.110  297.251   30.435  243.406   37.017 53.84573 47.92263 
1 1 1    6   23    9 o  120.861   14.997   37.021   8.0096   51.675   11.478   23.114   11.182  146.764   16.735   94.959   24.893 51.80536 29.99494 
1 1 1    6   23   10 o  300.008   26.598  239.404   37.222  254.966   52.722  223.940   52.558  311.008   36.273  289.008   38.913 22.00055 53.19681 
1 1 1    6   23   11 o  130.616   14.605   40.718   8.9152   0.0000   0.0000   40.718   8.9152  ?   ?   130.616   14.605      ?      ? 
1 1 1    6   23   12 o  354.891   25.647  323.698   40.521  372.130   70.246  299.546   49.606  368.484   40.790  341.298   31.099 27.18533 51.29365 
1 1 1    6   23   13 o  215.324   17.751  118.927   16.460  106.085   28.523  125.339   20.155  203.422   30.002  227.227   18.979 -23.80464 35.50132 
1 1 1    6   23   14 o  259.687   25.507  186.304   27.976  114.998   39.423  258.641   39.707  199.121   43.574  320.254   26.530 -121.1321 51.01485 
1 1 1    6   23   15 f  117.748   15.459   35.466   8.1823   44.753   11.466   25.827   11.680  135.826   18.062   99.670   25.092 36.15617 30.91715 
1 1 1    6   23   16 o  184.685   14.513   82.444   11.875   88.132   20.574   79.604   14.541  188.025   23.414  181.345   17.157 6.680283 29.02689 
1 1 1    6   23   17 o  150.021   15.573   55.754   10.916   57.307   15.537   54.240   15.341  152.151   21.850  147.892   22.196 4.259232 31.14617 
1 1 1    6   23   18 o   70.494   13.753   11.860   4.8517   7.1164   6.4477   18.051   7.3663   56.524   19.784   84.464   19.108 -27.94006 27.50513 
1 1 1    6   23   19 o  146.458   13.305   51.816   8.5956   53.438   14.906   51.007   10.521  147.207   21.666  145.709   15.450 1.497955 26.61091 
1 1 1    6   23   20 o   89.984   13.244   21.469   5.0895   16.242   9.0426   23.893   6.1574   79.857   22.987  100.110   13.161 -20.25298 26.48790 
1 1 1    6   23   21 o  323.704   19.736  256.444   29.857   0.0000   0.0000  256.444   29.857  ?   ?   323.704   19.736      ?      ? 
1 1 1    6   23   22 o  258.091   17.331  160.897   18.295  182.865   36.705  153.635   21.103  265.000   29.637  251.182   17.977 13.81741 34.66277 
1 1 1    6   23   23 o   83.665   15.494   18.511   6.4223   24.666   8.6697   11.026   9.5607   98.657   19.495   68.673   24.088 29.98403 30.98857 
1 1 1    6   23   24 o  119.339   14.266   37.799   7.1784   29.519   11.932   42.495   8.9866  105.879   24.585  132.800   14.479 -26.92035 28.53227 
1 1 1    6   23   25 o  216.852   29.362  124.339   29.757   0.0000   0.0000  124.339   29.757  ?   ?   216.852   29.362      ?      ? 
1 1 1    6   23   26 o  103.258   12.322   28.431   5.4425   39.791   7.4563   15.477   7.9622  129.025   12.365   77.492   21.318 51.53228 24.64442 
1 1 1    6   23   27 o  183.013   12.540   82.184   10.677   89.683   14.979   74.439   15.224  191.992   16.694  174.033   18.717 17.95889 25.08063 
1 1 1    6   23   28 o   49.436   12.392   5.2529   3.5853   4.4890   4.8877   6.1427   5.2752   46.885   17.129   51.988   17.912 -5.103027 24.78386 
1 1 1    6   23   29 o   65.337   12.978   10.697   4.1245   9.5425   5.6094   12.056   6.0856   61.770   18.199   68.904   18.506 -7.133652 25.95522 
1 1 1    6   23   30 o  145.161   11.812   51.378   7.9869   54.264   11.091   48.270   11.511  149.687   15.855  140.635   17.513 9.051178 23.62382 
1 1 1    6   23   31 o   50.750   12.569   4.6278   3.8658   1.1602   5.0521   9.5259   6.0045   39.657   16.496   61.842   18.969 -22.18518 25.13840 
1 1 1    6   23   32 o  101.535   15.200   30.788   7.0279   13.357   11.834   40.286   8.7352   74.172   26.719  128.897   14.501 -54.72498 30.40031 
1 1 1    6   23   33 o  124.322   12.762   39.309   6.9198   26.813   9.6817   52.358   9.8938  101.631   21.075  147.014   14.400 -45.38281 25.52493 
1 1 1    6   23   34 o  103.768   16.240   26.300   7.8760   26.300   7.8760   0.0000   0.0000  103.768   16.240  ?   ?       ?      ? 
1 1 1    6   23   35 o  211.502   14.123  112.552   13.924  119.844   19.543  105.036   19.842  219.112   19.085  203.892   20.823 15.22017 28.24605 
1 1 1    6   23   36 o  182.421   27.379   89.617   23.341   89.617   23.341   0.0000   0.0000  182.421   27.379  ?   ?       ?      ? 
1 1 1    6   23   37 o   52.556   14.171   5.3681   4.9722   7.8478   6.1981   0.8912   8.3281   57.026   19.422   48.086   20.642 8.939819 28.34281 
1 1 1    6   23   38 o  185.979   20.477   96.982   16.873  121.085   24.065   73.671   23.666  214.261   24.032  157.697   33.163 56.56447 40.95487 
1 1 1    6   23   39 o   64.221   16.209   9.4683   6.1784   13.695   9.4733   6.3395   8.1503   72.113   24.012   56.328   21.780 15.78537 32.41789 
1 1 1    6   23   40 f  174.684   17.149   80.899   13.224   84.097   22.720   79.261   16.262  173.549   28.012  175.819   19.791 -2.269897 34.29842 
1 1 1    6   23   41 o   64.748   14.909   8.0871   6.3414  -3.7262   8.9106   20.210   9.0267   43.474   19.822   86.023   22.276 -42.54945 29.81894 
1 1 1    6   23   42 o  102.368   16.854   26.374   8.0633   26.374   8.0633   0.0000   0.0000  102.368   16.854  ?   ?       ?      ? 
1 1 1    6   23   43 o  176.837   31.668   95.399   25.211   95.399   25.211   0.0000   0.0000  176.837   31.668  ?   ?       ?      ? 
1 1 1    6   23   44 o   61.017   16.173   6.9310   5.8949   15.994   10.924   3.2070   7.0019   74.623   25.772   47.410   19.545 27.21300 32.34501 
1 1 1    6   23   45 o   58.967   15.644   7.8109   5.6053   11.047   9.5599   6.1155   6.9196   65.126   23.930   52.809   20.157 12.31741 31.28831 
1 1 1    6   23   46 o   78.521   16.504   15.283   6.1525   26.062   11.393   10.845   7.3100   93.682   25.389   63.361   21.092 30.32116 33.00721 
1 1 1    6   23   47 o   71.697   16.564   12.145   7.4253   27.332   11.274   0.5122   9.8675   94.681   25.080   48.712   21.643 45.96883 33.12761 
1 1 1    6   23   48 o   59.461   24.273   8.6060   10.668   8.6060   10.668   0.0000   0.0000   59.461   24.273  ?   ?       ?      ? 
1 1 1    6   23   49 o   42.967   13.366   0.5651   5.0120   0.5888   6.2410   0.5221   8.4114   40.448   17.616   45.486   20.107 -5.037659 26.73195 
1 1 1    6   23   50 o   47.209   21.492  -0.5287   10.424   0.0000   0.0000  -0.5287   10.424  ?   ?    47.209   21.492      ?      ? 
1 1 1    6   23   51 f   89.317   30.861   32.980   15.664   0.0000   0.0000   32.980   15.664  ?   ?    89.317   30.861      ?      ? 
1 1 1    6   23   52 o   39.297   19.194 -12.3581   11.613   0.0000   0.0000 -12.3581   11.613  ?   ?    39.297   19.194      ?      ? 
1 1 1    6   23   53 o   50.937   14.214   7.0203   4.9441   6.2885   6.5118   8.0162   7.5968   48.934   19.307   52.941   20.865 -4.006802 28.42740 
1 1 1    6   23   54 o   46.800   13.610   4.2324   4.8614   0.7179   6.3758   9.1131   7.5135   39.019   17.364   54.581   20.963 -15.56151 27.22069 
1 1 1    6   23   55 o   55.784   15.896   10.860   6.4744   7.5622   11.453   12.409   7.8490   52.115   23.226   59.454   21.708 -7.339001 31.79110 
1 1 1    6   24    0 o  115.053   8.2208   32.089   6.1049   32.089   6.1049   32.089   6.1049  115.053   11.626  115.053   11.626 -0.000000 0.000000 
1 1 1    6   24    1 o   72.045   10.000   12.659   3.1676   13.387   5.1598   12.218   4.0126   73.408   15.525   70.681   12.610 2.726768 20.00089 
1 1 1    6   24    2 f  226.258   11.933  120.083   12.435  144.548   19.729  103.960   16.016  244.705   17.251  207.811   16.491 36.89380 23.86553 
1 1 1    6   24    3 o  196.266   16.038  100.437   12.227   84.816   24.432  105.657   14.123  182.311   28.676  210.221   14.375 -27.91095 32.07695 
1 1 1    6   24    4 o  165.014   10.594   66.534   7.9046   59.384   12.474   71.331   10.218  156.866   17.016  173.161   12.626 -16.29544 21.18844 
1 1 1    6   24    5 o  125.916   10.144   37.927   5.9244   32.091   8.2237   44.222   8.5421  115.664   15.213  136.167   13.423 -20.50330 20.28849 
1 1 1    6   24    6 o   51.615   10.840   7.1504   3.1055  -1.1522   6.3837   9.7243   3.5544   40.355   17.689   62.876   12.536 -22.52077 21.68042 
1 1 1    6   24    7 o  107.800   12.873   30.876   5.2383   24.569   10.480   32.976   6.0479   97.642   23.292  117.958   10.971 -20.31535 25.74671 
1 1 1    6   24    8 f  192.843   19.312  107.400   14.375   66.319   24.739  128.341   17.663  155.038   34.975  230.649   16.386 -75.61044 38.62302 
1 1 1    6   24    9 o  125.031   11.509   37.125   6.7249   0.0000   0.0000   37.125   6.7249  ?   ?   125.031   11.509      ?      ? 
1 1 1    6   24   10 f  150.347   12.205   54.307   7.4002   55.698   14.873   53.850   8.5312  150.258   21.180  150.435   12.134 -0.1773682 24.40935 
1 1 1    6   24   11 o  384.846   41.602  494.632   74.812  501.841  105.775  487.417  105.825  388.895   58.198  380.797   59.464 8.098236 83.20406 
1 1 1    6   24   12 o  117.120   13.979   38.135   6.1611   26.567   12.010   42.266   7.1775  100.825   25.478  133.414   11.511 -32.58887 27.95756 
1 1 1    6   24   13 o  241.448   19.857  154.493   20.465  132.076   35.348  165.796   25.100  223.025   33.914  259.870   20.667 -36.84518 39.71455 
1 1 1    6   24   14 o  209.855   14.899  105.576   14.613   0.0000   0.0000  105.576   14.613  ?   ?   209.855   14.899      ?      ? 
1 1 1    6   24   15 o  138.908   12.382   43.356   7.7420   61.764   13.228   33.767   9.5479  159.661   17.728  118.155   17.291 41.50588 24.76410 
1 1 1    6   24   16 o  112.244   12.854   32.470   5.5970   28.274   10.918   33.965   6.5186  104.909   22.910  119.579   11.664 -14.66958 25.70875 
1 1 1    6   24   17 o   98.415   11.534   23.017   5.3049   0.0000   0.0000   23.017   5.3049  ?   ?    98.415   11.534      ?      ? 
1 1 1    6   24   18 o  166.891   14.469   69.314   10.598   66.956   18.205   70.523   13.035  163.108   23.882  170.673   16.341 -7.565460 28.93749 
1 1 1    6   24   19 o  192.488   10.951   88.187   9.7023   97.240   15.369   82.188   12.511  200.179   16.428  184.798   14.486 15.38089 21.90200 
1 1 1    6   24   20 o   53.884   10.924   7.2621   2.8467   6.5308   4.7202   7.6802   3.5687   52.292   16.925   55.477   13.817 -3.184574 21.84860 
1 1 1    6   24   21 f   86.738   10.119   19.145   3.7985   15.535   6.0500   21.494   4.8802   78.440   16.995   95.036   10.988 -16.59644 20.23738 
1 1 1    6   24   22 o   85.642   9.8447   18.082   3.7409   16.963   5.8873   18.839   4.8446   82.399   15.864   88.886   11.662 -6.486794 19.68935 
1 1 1    6   24   23 o  115.590   9.2436   31.072   4.9193   38.434   7.7842   26.176   6.3474  126.638   13.153  104.542   12.992 22.09519 18.48710 
1 1 1    6   24   24 o  302.357   18.242  234.823   25.748  246.213   36.369  223.377   36.457  310.473   25.065  294.240   26.512 16.23297 36.48419 
1 1 1    6   24   25 o  126.427   12.681   37.992   7.0659   35.810   8.5634   42.646   12.507  121.760   15.049  131.094   20.415 -9.333633 25.36178 
1 1 1    6   24   26 o  171.137   11.717   71.188   9.2981   60.244   12.909   82.990   13.405  157.045   17.588  185.228   15.485 -28.18306 23.43299 
1 1 1    6   24   27 o  124.768   10.891   37.741   6.3243   39.138   8.6686   36.151   9.2473  127.468   14.551  122.068   16.210 5.399902 21.78288 
1 1 1    6   24   28 o  200.499   13.194   99.107   12.363   99.477   17.426   98.733   17.541  200.932   18.557  200.066   18.760 0.8664703 26.38764 
1 1 1    6   24   29 o  164.039   13.905   63.602   10.268   81.470   17.662   54.479   12.620  179.732   21.026  148.345   18.203 31.38728 27.81096 
1 1 1    6   24   30 o  139.838   11.200   47.741   7.3167   47.932   10.229   47.542   10.471  140.209   15.610  139.466   16.064 0.7422028 22.39905 
1 1 1    6   24   31 f  113.454   15.495   38.593   7.4404   49.039   9.1941   18.768   12.665  142.564   13.799   84.343   27.749 58.22179 30.99058 
1 1 1    6   24   32 o   65.695   13.872   10.772   4.5993   8.7089   6.1702   13.351   6.8997   59.526   19.358   71.865   19.875 -12.33916 27.74417 
1 1 1    6   24   33 o   58.368   14.764   7.9215   4.9848   9.0188   5.9964   5.4669   8.9683   60.027   19.040   56.709   22.568 3.318584 29.52702 
1 1 1    6   24   34 o  140.402   17.512   52.482   11.235   56.262   16.058   48.857   15.725  146.969   23.379  133.836   26.078 13.13214 35.02314 
1 1 1    6   24   35 o  159.134   18.514   68.598   13.441   73.443   19.041   63.786   18.976  166.733   24.436  151.535   27.819 15.19746 37.02722 
1 1 1    6   24   36 o  136.036   17.886   50.598   10.985   62.080   15.543   39.142   15.526  155.075   21.446  116.998   28.629 38.07752 35.77123 
1 1 1    6   24   37 o   61.920   13.968   6.3510   5.8741   19.171   8.3116  -6.4428   8.3031   84.623   21.091   39.217   18.319 45.40526 27.93592 
1 1 1    6   24   38 o   78.540   20.961   16.577   7.8370   0.0000   0.0000   16.577   7.8370  ?   ?    78.540   20.961      ?      ? 
1 1 1    6   24   39 o  101.593   25.224   29.082   11.921   0.0000   0.0000   29.082   11.921  ?   ?   101.593   25.224      ?      ? 
1 1 1    6   24   40 o  179.667   16.348   85.560   12.997   83.599   16.011   89.351   22.256  180.423   18.988  178.912   26.618 1.511459 32.69651 
1 1 1    6   24   41 o   62.155   16.721   9.1428   6.5746   8.3639   11.024   9.5728   8.1907   62.582   24.985   61.728   22.230 0.8531532 33.44241 
1 1 1    6   24   42 o   75.105   16.866   15.901   6.3391   15.900   11.757   15.901   7.5268   74.427   26.651   75.783   20.677 -1.355988 33.73181 
1 1 1    6   24   43 o  229.811   20.504  149.674   21.070  189.024   36.650  130.248   25.751  245.931   31.887  213.690   25.785 32.24129 41.00790 
1 1 1    6   24   44 o   38.023   17.003  -1.3418   6.1933   0.0000   0.0000  -1.3418   6.1933  ?   ?    38.023   17.003      ?      ? 
1 1 1    6   24   45 o  123.790   20.341   49.211   11.555   46.431   16.632   51.805   16.064  118.617   29.987  128.963   27.494 -10.34560 40.68291 
1 1 1    6   24   46 f   64.376   17.404   11.686   7.3054   14.319   10.811   9.4735   9.9103   68.558   25.403   60.194   23.797 8.363987 34.80770 
1 1 1    6   24   47 o   48.713   13.709   4.5150   4.9978   7.8581   5.9848  -3.1884   9.0849   54.606   19.064   42.820   19.707 11.78520 27.41893 
1 1 1    6   24   48 o  125.718   30.689   56.155   17.873   56.155   17.873   0.0000   0.0000  125.718   30.689  ?   ?       ?      ? 
1 1 1    6   24   49 o   48.027   14.986   2.6070   6.5006   3.9588   10.018   1.6239   8.5433   50.547   22.158   45.507   20.183 5.040672 29.97165 
1 1 1    6   24   50 o   83.483   19.330   26.532   8.7871   24.162   13.127   28.457   11.828   78.302   28.148   88.664   26.501 -10.36176 38.66057 
1 1 1    6   24   51 o   57.945   15.918   8.8542   5.6877   16.849   10.710   5.7138   6.7125   67.837   25.254   48.054   19.386 19.78382 31.83667 
1 1 1    6   24   52 o  109.390   14.141   36.451   6.9623   36.194   9.8861   36.703   9.8067  108.749   20.195  110.030   19.799 -1.280319 28.28140 
1 1 1    6   24   53 o   56.678   13.854   9.5207   5.1072   16.922   7.2327   2.1603   7.2125   71.414   20.559   41.942   18.576 29.47232 27.70770 
1 1 1    6   25    0 o   27.177   11.824   1.4198   4.1261   1.4198   4.1261   1.4198   4.1261   27.177   16.722   27.177   16.722 -0.000000 0.000000 
1 1 1    6   25    1 o  210.109   11.963  107.591   11.443  101.828   18.067  111.451   14.786  204.523   18.902  215.696   14.668 -11.17366 23.92572 
1 1 1    6   25    2 o   59.578   9.9119   9.3385   3.0153   2.8912   4.6789   13.918   3.9434   42.522   16.485   76.635   11.010 -34.11354 19.82378 
1 1 1    6   25    3 o  152.447   10.895   59.121   7.2639   43.238   11.454   69.806   9.3947  133.426   18.368  171.469   11.723 -38.04231 21.79072 
1 1 1    6   25    4 o  105.055   10.283   28.526   4.5474   20.553   7.2337   33.735   5.8473   90.720   17.697  119.391   10.480 -28.67052 20.56690 
1 1 1    6   25    5 o   99.077   9.9389   25.039   4.2215   18.173   6.4847   30.088   5.5614   85.412   16.844  112.741   10.555 -27.32898 19.87773 
1 1 1    6   25    6 o  312.679   22.062  252.107   27.642  258.254   55.287  250.059   31.918  306.719   38.569  318.640   21.434 -11.92096 44.12477 
1 1 1    6   25    7 o  125.065   14.474   43.436   6.6526   30.905   13.342   47.582   7.6749  108.559   26.523  141.571   11.600 -33.01183 28.94863 
1 1 1    6   25    8 o   63.640   11.463   11.658   3.6543   1.9986   7.2906   14.899   4.2231   48.052   19.888   79.227   11.406 -31.17437 22.92672 
1 1 1    6   25    9 o  252.309   15.859  146.083   16.644  185.929   33.409  132.928   19.196  270.559   26.421  234.060   17.549 36.49884 31.71830 
1 1 1    6   25   10 o  343.550   27.223  302.017   43.710   0.0000   0.0000  302.017   43.710  ?   ?   343.550   27.223      ?      ? 
1 1 1    6   25   11 o   88.312   12.716   20.044   4.8738   17.187   8.3359   21.528   6.0077   81.792   21.518   94.832   13.555 -13.03922 25.43129 
1 1 1    6   25   12 o   97.039   12.154   22.937   4.7126   24.007   9.2853   22.565   5.4694   96.771   21.124   97.307   12.027 -0.5357666 24.30743 
1 1 1    6   25   13 o  120.936   13.830   39.278   6.3101   31.309   12.487   42.011   7.3125  109.095   25.024  132.777   11.784 -23.68137 27.65966 
1 1 1    6   25   14 o  266.943   26.613  225.208   24.537  150.284   48.950  250.352   28.356  214.994   49.710  318.891   19.027 -103.8967 53.22668 
1 1 1    6   25   15 o  214.412   16.700  119.390   14.168  109.975   28.142  122.586   16.398  203.890   29.533  224.934   15.599 -21.04439 33.39962 
1 1 1    6   25   16 o   64.841   12.236   9.7931   3.5492   13.272   6.4864   8.3063   4.2403   72.100   18.987   57.583   15.440 14.51696 24.47267 
1 1 1    6   25   17 o  137.946   12.014   45.163   6.7722   49.020   13.523   43.872   7.8241  140.419   20.606  135.473   12.358 4.945770 24.02758 
1 1 1    6   25   18 o  162.130   16.116   73.278   9.5506   54.440   18.918   79.721   11.064  141.818   29.503  182.441   12.976 -40.62335 32.23102 
1 1 1    6   25   19 f  120.474   9.8818   36.049   5.3037   30.359   8.4901   39.691   6.7919  111.822   16.246  129.126   11.255 -17.30345 19.76356 
1 1 1    6   25   20 o  268.582   14.853  180.197   18.207  176.477   28.773  182.681   23.514  264.369   23.288  272.794   18.443 -8.425110 29.70690 
1 1 1    6   25   21 o   98.471   9.3116   22.994   4.2085   24.542   6.6944   21.982   5.4117  100.984   14.185   95.958   12.067 5.026451 18.62311 
1 1 1    6   25   22 o  108.575   12.360   29.391   5.1613   28.805   10.484   29.578   5.9295  105.696   21.943  111.454   11.384 -5.758194 24.71982 
1 1 1    6   25   23 o   53.021   11.516   6.4531   3.3163   3.1673   4.5801   10.074   4.8082   42.762   16.381   63.281   16.191 -20.51925 23.03231 
1 1 1    6   25   24 o  204.100   11.528   99.342   10.845  113.151   17.143   90.127   14.004  215.331   17.035  192.868   15.536 22.46304 23.05602 
1 1 1    6   25   25 o  194.982   12.828   93.986   11.667  100.034   16.466   87.888   16.534  201.669   17.470  188.295   18.789 13.37448 25.65593 
1 1 1    6   25   26 o   76.383   13.287   16.554   5.3034   4.3142   8.9587   23.157   6.5804   55.046   22.329   97.720   14.409 -42.67445 26.57466 
1 1 1    6   25   27 o   37.703   11.455   0.0887   3.6142   2.6623   4.0684  -9.5471   7.8722   39.854   15.394   35.553   16.969 4.301460 22.91100 
1 1 1    6   25   28 o  195.191   14.474   88.278   12.589   72.926   15.244  121.211   22.326  171.407   19.029  218.976   21.816 -47.56873 28.94894 
1 1 1    6   25   29 o  158.042   12.722   62.679   9.2090   74.932   12.881   49.870   13.171  175.109   15.740  140.976   19.990 34.13290 25.44317 
1 1 1    6   25   30 o   75.202   13.338   14.732   4.6906   16.032   6.4672   13.290   6.8133   78.920   17.940   71.483   19.743 7.437134 26.67640 
1 1 1    6   25   31 o   79.134   16.677   16.569   6.8876   10.887   9.7464   22.238   9.7347   67.253   24.246   91.015   22.904 -23.76191 33.35319 
1 1 1    6   25   32 o  150.818   17.706   60.894   12.177   55.693   17.053   66.306   17.395  142.389   26.604  159.249   23.372 -16.85999 35.41215 
1 1 1    6   25   33 o  142.467   17.763   54.754   11.548   58.257   16.258   51.187   16.405  149.002   23.347  135.932   26.776 13.07016 35.52570 
1 1 1    6   25   34 o   80.288   17.235   17.390   7.0790   14.291   9.6577   20.987   10.407   73.360   24.236   87.215   24.513 -13.85535 34.47091 
1 1 1    6   25   35 o   83.485   15.670   19.125   6.1249   17.473   10.096   20.088   7.7049   79.683   24.622   87.287   19.391 -7.604034 31.34101 
1 1 1    6   25   36 o  151.776   18.537   63.967   12.792   70.889   18.152   57.136   18.031  162.566   23.892  140.987   28.348 21.57918 37.07346 
1 1 1    6   25   37 o   59.240   13.181   2.9857   5.7631   19.686   8.2540 -12.9009   8.0504   85.399   20.860   33.081   16.119 52.31857 26.36222 
1 1 1    6   25   38 o   94.263   15.358   23.312   6.3815   20.901   7.8693   27.943   10.906   88.489   19.550  100.037   23.693 -11.54777 30.71700 
1 1 1    6   25   39 o  206.574   24.116  136.390   22.196  167.352   31.900  107.330   30.904  238.016   28.678  175.132   38.781 62.88379 48.23265 
1 1 1    6   25   40 o   94.168   15.247   26.239   6.7746   32.527   8.6861   16.475   10.825  112.894   16.463   75.442   25.667 37.45196 30.49346 
1 1 1    6   25   41 o  144.111   19.969   62.783   13.063   49.336   18.771   75.410   18.190  123.219   32.229  165.003   23.588 -41.78370 39.93835 
1 1 1    6   25   42 o   63.572   17.576   9.4509   7.7705   4.8088   10.948   14.164   11.031   56.454   23.932   70.689   25.746 -14.23535 35.15125 
1 1 1    6   25   43 o  134.443   21.323   59.550   13.067   61.443   18.671   57.732   18.295  136.826   30.023  132.060   30.288 4.765839 42.64643 
1 1 1    6   25   44 o   98.466   16.161   27.075   6.9117   23.286   8.3394   35.387   12.352   90.214   20.274  106.718   25.174 -16.50359 32.32281 
1 1 1    6   25   45 f   92.272   17.022   26.815   8.4606   40.954   11.702   11.332   12.246  119.563   21.744   64.980   26.195 54.58302 34.04372 
1 1 1    6   25   46 o   63.608   15.947   12.104   5.8735   12.743   7.2655   10.898   9.9784   65.555   20.976   61.660   24.027 3.894669 31.89472 
1 1 1    6   25   47 o   48.069   14.888   2.6498   6.2370   5.9403   9.9937   0.5505   7.9823   52.992   22.676   43.145   19.297 9.847263 29.77565 
1 1 1    6   25   48 o   54.626   15.565   7.2700   6.4360   1.4961   8.9890   13.343   9.2192   45.631   20.439   63.621   23.480 -17.99028 31.12989 
1 1 1    6   25   49 o  120.943   19.289   56.967   12.078   83.836   17.122   30.357   17.039  162.303   22.573   79.583   31.285 82.72062 38.57855 
1 1 1    6   25   50 o   65.219   14.622   13.621   5.1187   10.556   7.2457   16.674   7.2322   57.914   20.901   72.524   20.453 -14.60957 29.24329 
1 1 1    6   25   51 o   85.032   17.418   24.723   6.8325   33.398   12.670   21.167   8.1133   90.429   27.519   79.636   21.359 10.79292 34.83561 
1 1 1    6   26    0 o   53.626   14.533   9.3255   4.8662   9.3255   4.8662   9.3255   4.8662   53.626   20.552   53.626   20.552 -0.000000 0.000000 
1 1 1    6   26    1 o  123.997   10.401   37.116   6.0157   39.840   8.5310   34.421   8.4842  128.662   14.188  119.332   15.213 9.329979 20.80198 
1 1 1    6   26    2 o  121.249   9.3632   34.977   5.2029   36.648   8.2843   33.888   6.6859  123.348   14.371  119.151   12.007 4.196358 18.72646 
1 1 1    6   26    3 o  267.535   27.643  237.431   24.957  140.024   49.704  270.267   28.859  203.481   52.056  331.589   18.622 -128.1084 55.28658 
1 1 1    6   26    4 o  157.009   10.020   59.357   7.2239   59.275   11.301   59.413   9.3940  156.482   15.452  157.536   12.759 -1.053391 20.03934 
1 1 1    6   26    5 o  151.821   14.588   61.135   8.3581   51.386   16.515   64.492   9.6907  139.485   26.299  164.158   12.631 -24.67348 29.17544 
1 1 1    6   26    6 o  220.024   19.818  137.011   15.895  107.009   31.658  147.123   18.379  193.863   36.275  246.185   15.974 -52.32248 39.63644 
1 1 1    6   26    7 o  100.687   14.030   32.953   5.5533   12.081   11.201   39.755   6.3945   72.040   25.989  129.335   10.579 -57.29522 28.05968 
1 1 1    6   26    8 f  159.493   16.613   72.847   9.5023   50.886   19.021   80.151   10.969  136.063   30.649  182.923   12.831 -46.86044 33.22601 
1 1 1    6   26    9 f  178.238   13.394   76.250   11.157   0.0000   0.0000   76.250   11.157  ?   ?   178.238   13.394      ?      ? 
1 1 1    6   26   10 o   78.960   14.587   15.466   5.1848   0.0000   0.0000   15.466   5.1848  ?   ?    78.960   14.587      ?      ? 
1 1 1    6   26   11 o   76.428   13.295   14.559   4.4906   15.787   7.9233   13.978   5.4506   78.268   21.156   74.588   16.107 3.679375 26.59011 
1 1 1    6   26   12 o  201.078   16.638  108.464   12.906   89.396   25.676  114.911   14.930  183.830   29.886  218.326   14.632 -34.49625 33.27545 
1 1 1    6   26   13 o  229.400   22.138  150.831   20.235  113.630   35.019  169.477   24.792  197.329   39.353  261.470   20.289 -64.14104 44.27503 
1 1 1    6   26   14 o  242.538   23.052  175.718   19.791  125.984   39.447  192.448   22.879  204.365   42.678  280.712   17.439 -76.34718 46.10406 
1 1 1    6   26   15 o   85.827   16.192   18.406   6.2565   0.0000   0.0000   18.406   6.2565  ?   ?    85.827   16.192      ?      ? 
1 1 1    6   26   16 o  202.334   15.993  105.190   12.804   97.855   25.554  107.648   14.795  193.520   28.254  211.148   14.993 -17.62779 31.98577 
1 1 1    6   26   17 o  204.778   15.733  101.224   14.421  118.863   24.887   92.307   17.695  216.149   24.636  193.407   19.576 22.74234 31.46680 
1 1 1    6   26   18 o  165.605   16.755   78.958   9.9687   53.332   19.642   87.849   11.569  139.619   30.918  191.590   12.921 -51.97121 33.50927 
1 1 1    6   26   19 o  152.747   13.598   57.343   9.1510   58.041   15.808   56.991   11.222  152.098   22.239  153.395   15.654 -1.296417 27.19633 
1 1 1    6   26   20 o   98.610   9.3132   22.581   4.2201   28.688   6.7028   18.570   5.4319  109.299   13.122   87.921   13.220 21.37861 18.62650 
1 1 1    6   26   21 f  146.754   9.7780   51.688   6.6013   53.965   10.374   50.139   8.5573  149.068   14.891  144.439   12.677 4.628754 19.55606 
1 1 1    6   26   22 o  162.862   13.078   59.665   9.4707   93.351   16.483   43.065   11.571  194.136   18.167  131.588   18.816 62.54774 26.15520 
1 1 1    6   26   23 o  161.782   10.510   63.704   7.7731   62.501   12.258   64.513   10.053  159.846   16.408  163.718   13.139 -3.871674 21.02034 
1 1 1    6   26   24 o  120.901   10.885   35.565   6.1455   34.357   8.7436   36.744   8.6395  118.759   15.754  123.043   15.024 -4.284241 21.76935 
1 1 1    6   26   25 o  179.914   11.049   78.272   9.1170   82.458   14.491   75.530   11.729  183.208   16.925  176.619   14.210 6.589081 22.09891 
1 1 1    6   26   26 o   54.732   10.774   6.4082   3.5238   13.830   4.9923  -0.9603   4.9745   74.151   14.923   35.314   15.543 38.83687 21.54723 
1 1 1    6   26   27 o   66.571   12.375   11.394   3.9013   11.787   5.5512   11.010   5.4839   67.691   17.440   65.452   17.562 2.239067 24.75023 
1 1 1    6   26   28 o  121.734   15.292   40.618   7.6389   44.062   9.2392   33.179   13.580  134.258   14.725  109.209   26.806 25.04970 30.58423 
1 1 1    6   26   29 o  195.527   20.351  105.598   18.590  106.831   26.086  104.326   26.498  197.176   28.308  193.878   29.245 3.297897 40.70132 
1 1 1    6   26   30 o  217.758   31.459  135.689   32.015  135.689   32.015   0.0000   0.0000  217.758   31.459  ?   ?       ?      ? 
1 1 1    6   26   31 f   91.055   16.733   22.680   7.1767   22.045   9.8612   23.396   10.464   89.867   23.289   92.243   24.033 -2.375427 33.46552 
1 1 1    6   26   32 o  119.111   24.445   38.970   13.152   38.970   13.152   0.0000   0.0000  119.111   24.445  ?   ?       ?      ? 
1 1 1    6   26   33 o   57.033   15.076   6.1634   5.5556   2.1346   7.3153   11.654   8.5397   47.048   19.732   67.019   22.798 -19.97109 30.15157 
1 1 1    6   26   34 o  157.665   18.905   69.697   13.584   74.658   19.157   64.679   19.266  165.712   24.736  149.618   28.595 16.09441 37.80923 
1 1 1    6   26   35 o  120.990   16.397   36.768   9.2718   36.768   9.2718   0.0000   0.0000  120.990   16.397  ?   ?       ?      ? 
1 1 1    6   26   36 o  105.737   19.332   33.203   9.6119   32.915   14.129   33.451   13.114  104.500   28.254  106.974   26.393 -2.474236 38.66384 
1 1 1    6   26   37 o  162.239   13.040   69.064   9.7016   55.171   13.701   83.037   13.740  143.889   20.374  180.589   16.280 -36.70007 26.07915 
1 1 1    6   26   38 o   70.371   16.598   13.771   6.1678   12.451   11.412   14.315   7.3307   68.678   25.964   72.064   20.684 -3.385864 33.19570 
1 1 1    6   26   39 o   80.867   18.071   19.628   7.9527   13.628   12.177   24.091   10.502   70.700   26.798   91.034   24.249 -20.33428 36.14104 
1 1 1    6   26   40 o   98.811   18.220   29.683   9.6012   47.787   13.833   12.852   13.337  128.578   23.899   69.043   27.508 59.53482 36.43948 
1 1 1    6   26   41 o  115.721   16.886   38.740   8.4448   36.677   10.235   43.140   14.946  116.240   18.841  115.201   28.027 1.038971 33.77145 
1 1 1    6   26   42 o  155.210   16.864   67.041   11.623   58.363   14.089   85.531   20.564  144.134   20.915  166.287   26.461 -22.15347 33.72874 
1 1 1    6   26   43 o   86.243   17.869   23.044   8.7322   9.4509   12.288   36.910   12.411   62.337   25.812  110.148   24.717 -47.81043 35.73805 
1 1 1    6   26   44 f   65.116   15.767   13.385   5.8657   15.181   6.8259   8.3147   11.469   71.875   19.724   58.357   24.603 13.51862 31.53316 
1 1 1    6   26   45 o   46.140   14.692   0.0075   6.8342   5.0230   9.6522  -5.0346   9.6779   51.341   22.133   40.938   19.327 10.40344 29.38317 
1 1 1    6   26   46 o   40.852   13.407  -6.3388   6.5583   4.5381   9.3261 -16.9802   9.2245   49.733   21.597   31.971   15.891 17.76164 26.81301 
1 1 1    6   26   47 o   39.340   13.152  -5.1994   6.3709  -0.5079   9.4398  -9.1238   8.6336   43.730   20.112   34.950   16.953 8.779533 26.30351 
1 1 1    6   26   48 o  104.170   19.226   32.496   9.0150   32.496   9.0150   0.0000   0.0000  104.170   19.226  ?   ?       ?      ? 
1 1 1    6   26   49 o   41.056   13.047   0.0566   4.9118  -2.7556   5.9926   5.8140   8.5743   33.305   15.559   48.808   20.948 -15.50330 26.09390 
1 1 1    6   27    0 o   79.902   12.519   17.204   5.7803   17.204   5.7803   17.204   5.7803   79.902   17.705   79.902   17.705 -0.000000 0.000000 
1 1 1    6   27    1 o  118.986   10.272   34.165   5.7040   35.657   7.9917   32.616   8.1438  121.755   14.045  116.216   14.994 5.539619 20.54440 
1 1 1    6   27    2 o  155.853   11.190   58.877   8.1357   54.449   11.407   63.462   11.606  149.716   16.303  161.990   15.331 -12.27385 22.37932 
1 1 1    6   27    3 o   78.716   12.217   15.207   3.9817   15.740   7.8396   15.021   4.6222   78.168   21.009   79.264   12.478 -1.095802 24.43457 
1 1 1    6   27    4 o  190.559   12.611   89.050   11.184   79.987   15.793   98.169   15.841  180.364   18.736  200.753   16.884 -20.38884 25.22129 
1 1 1    6   27    5 o  249.311   14.155  156.422   15.962  141.821   25.206  166.198   20.624  237.418   22.717  261.205   16.895 -23.78760 28.31063 
1 1 1    6   27    6 o  205.696   12.731  107.811   11.621   85.999   18.316  122.508   15.035  185.803   21.093  225.589   14.261 -39.78577 25.46116 
1 1 1    6   27    7 o  127.643   10.558   39.453   6.2674   43.660   8.8432   35.208   8.8838  134.737   14.044  120.549   15.769 14.18855 21.11564 
1 1 1    6   27    8 o  256.307   22.161  164.614   26.545   0.0000   0.0000  164.614   26.545  ?   ?   256.307   22.161      ?      ? 
1 1 1    6   27    9 o  154.681   12.714   57.232   9.1912   0.0000   0.0000   57.232   9.1912  ?   ?   154.681   12.714      ?      ? 
1 1 1    6   27   10 o  205.189   14.988  101.588   14.373   0.0000   0.0000  101.588   14.373  ?   ?   205.189   14.988      ?      ? 
1 1 1    6   27   11 o  205.427   14.248  101.513   13.679   0.0000   0.0000  101.513   13.679  ?   ?   205.427   14.248      ?      ? 
1 1 1    6   27   12 o  241.788   16.207  141.894   18.314   0.0000   0.0000  141.894   18.314  ?   ?   241.788   16.207      ?      ? 
1 1 1    6   27   13 o  178.338   12.181   69.254   9.1344   98.310   18.360   59.696   10.530  199.286   19.713  157.390   14.316 41.89606 24.36256 
1 1 1    6   27   14 o  139.173   12.005   46.318   7.8084   0.0000   0.0000   46.318   7.8084  ?   ?   139.173   12.005      ?      ? 
1 1 1    6   27   15 o  129.981   12.427   40.544   7.5490   0.0000   0.0000   40.544   7.5490  ?   ?   129.981   12.427      ?      ? 
1 1 1    6   27   16 o  162.781   12.650   61.281   8.5647   75.264   17.079   56.583   9.8994  172.590   21.174  152.973   13.847 19.61761 25.29944 
1 1 1    6   27   17 o  145.185   15.885   59.626   8.4527   44.143   16.809   64.867   9.7791  126.148   29.103  164.221   12.742 -38.07393 31.77047 
1 1 1    6   27   18 o  224.123   15.478  119.510   15.571  156.325   27.021  101.205   19.053  247.182   23.391  201.064   20.276 46.11852 30.95563 
1 1 1    6   27   19 o  184.533   14.141   80.083   11.725  103.959   20.286   68.104   14.369  203.147   21.366  165.919   18.531 37.22769 28.28266 
1 1 1    6   27   20 o   64.067   13.373   10.850   4.3775   6.4841   7.5328   13.077   5.3791   56.324   21.137   71.810   16.389 -15.48619 26.74699 
1 1 1    6   27   21 o  145.472   11.233   51.805   7.6091   46.433   10.653   57.401   10.872  137.475   16.581  153.469   15.158 -15.99411 22.46531 
1 1 1    6   27   22 o  216.580   14.384  119.357   14.345   97.470   20.265  141.338   20.309  194.928   22.245  238.231   18.241 -43.30264 28.76756 
1 1 1    6   27   23 o  119.556   10.648   35.057   5.9249   31.716   8.4139   38.345   8.3447  113.601   15.848  125.511   14.226 -11.90973 21.29641 
1 1 1    6   27   24 o  121.502   10.969   36.294   6.2114   33.125   8.7427   39.524   8.8263  115.896   16.141  127.107   14.858 -11.21069 21.93858 
1 1 1    6   27   25 o   98.932   11.661   24.717   5.1634   18.867   7.2007   30.908   7.4082   85.267   18.594  112.597   14.078 -27.32993 23.32194 
1 1 1    6   27   26 o  111.289   14.314   32.547   6.7871   30.428   11.712   33.619   8.3280  105.646   24.236  116.933   15.239 -11.28741 28.62866 
1 1 1    6   27   27 o  141.007   14.177   51.887   8.3196   49.190   14.733   53.150   10.081  134.830   24.273  147.184   14.655 -12.35368 28.35437 
1 1 1    6   27   28 o  104.490   16.664   29.754   8.0014   23.384   11.059   36.753   11.592   91.573   25.095  117.408   21.932 -25.83531 33.32829 
1 1 1    6   27   29 o  138.101   17.473   51.987   11.011   54.598   15.372   49.236   15.779  143.653   22.897  132.550   26.399 11.10260 34.94505 
1 1 1    6   27   30 o   60.153   15.910   8.2714   5.9838   8.2796   7.8947   8.2603   9.1732   59.391   21.758   60.915   23.218 -1.524014 31.81999 
1 1 1    6   27   31 o   92.551   17.136   24.047   7.5152   25.667   10.415   22.287   10.855   96.310   23.375   88.791   25.064 7.518692 34.27185 
1 1 1    6   27   32 o  132.417   13.914   43.615   8.1929   39.762   9.9836   51.560   14.337  125.449   17.029  139.384   22.009 -13.93559 27.82732 
1 1 1    6   27   33 o  108.869   17.613   30.334   8.9615   30.334   8.9615   0.0000   0.0000  108.869   17.613  ?   ?       ?      ? 
1 1 1    6   27   34 o   99.859   12.841   26.293   5.8231   30.310   8.2699   22.343   8.2009  109.160   16.210   90.558   19.919 18.60190 25.68129 
1 1 1    6   27   35 o   37.460   11.475  -0.2687   3.7661   1.9968   5.4445  -2.3473   5.2151   41.445   17.173   33.475   15.225 7.970421 22.95024 
1 1 1    6   27   36 o  107.855   14.844   26.405   7.0791   54.372   12.953   14.495   8.4532  143.803   19.273   71.907   22.582 71.89642 29.68828 
1 1 1    6   27   37 o  129.627   14.857   42.133   8.4009   59.781   15.082   34.194   10.115  147.389   21.896  111.864   20.087 35.52482 29.71363 
1 1 1    6   27   38 o  112.041   19.854   40.292   10.374   43.366   15.079   37.530   14.295  116.339   28.058  107.742   28.098 8.597389 39.70826 
1 1 1    6   27   39 o  132.753   17.553   52.632   9.8542   51.417   11.928   55.243   17.489  137.577   18.551  127.929   29.805 9.647766 35.10660 
1 1 1    6   27   40 o  124.397   17.610   47.545   9.1483   49.358   10.963   43.388   16.600  136.667   17.165  112.127   30.754 24.54006 35.21993 
1 1 1    6   27   41 o   96.200   16.182   31.658   7.5523   38.213   9.0665   16.800   13.650  120.516   16.097   71.885   28.076 48.63066 32.36364 
1 1 1    6   27   42 o   69.674   17.724   15.559   7.8993   7.6054   11.087   23.759   11.258   56.498   24.023   82.851   26.066 -26.35269 35.44763 
1 1 1    6   27   43 o   45.706   14.452   1.0598   6.4448   4.0862   8.5833  -2.8515   9.7578   48.570   20.905   42.842   19.960 5.727997 28.90378 
1 1 1    6   27   44 o   57.458   14.816   10.438   5.6895   1.5509   10.910   13.757   6.6681   48.214   21.964   66.702   19.889 -18.48860 29.63137 
1 1 1    6   27   45 o   53.316   15.315   7.3642   5.5345   10.860   10.230   5.9178   6.5807   58.366   23.791   48.267   19.292 10.09853 30.63030 
1 1 1    6   27   46 f   96.403   16.602   27.812   7.0917   20.207   8.5077   45.126   12.837   77.829   22.265  114.977   24.632 -37.14816 33.20340 
1 1 1    6   27   47 o   62.875   20.834   13.357   7.1351   13.357   7.1351   0.0000   0.0000   62.875   20.834  ?   ?       ?      ? 
1 1 1    6   28    0 o   52.948   14.633   9.2010   4.8947   9.2010   4.8947   9.2010   4.8947   52.948   20.695   52.948   20.695 -0.000000 0.000000 
1 1 1    6   28    1 o  118.656   10.533   34.180   5.8278   36.912   8.2740   31.490   8.2097  123.527   14.332  113.786   15.438 9.741035 21.06542 
1 1 1    6   28    2 o  127.543   12.076   41.771   6.5261   25.288   9.1864   58.566   9.2726   98.936   20.540  156.150   12.706 -57.21389 24.15241 
1 1 1    6   28    3 o  289.605   28.447  261.621   32.602  205.688   56.397  289.692   39.954  245.710   50.791  333.501   25.634 -87.79053 56.89328 
1 1 1    6   28    4 o  263.873   14.877  178.286   17.734  161.418   28.017  189.561   22.906  250.470   23.935  277.276   17.676 -26.80614 29.75440 
1 1 1    6   28    5 o  148.118   12.142   50.621   7.4246   61.454   14.952   47.076   8.5535  156.425   20.453  139.811   13.091 16.61447 24.28376 
1 1 1    6   28    6 o  258.972   18.524  171.335   19.377  185.715   38.854  166.574   22.356  258.813   32.122  259.131   18.460 -0.3182678 37.04873 
1 1 1    6   28    7 o  228.945   20.014  144.098   19.545  127.252   33.859  152.517   23.936  211.926   34.186  245.965   20.823 -34.03983 40.02875 
1 1 1    6   28    8 o  153.998   13.540   57.266   9.3111   65.495   16.080   53.115   11.420  160.869   21.389  147.127   16.609 13.74232 27.08015 
1 1 1    6   28    9 o  118.534   14.873   38.863   7.2392   28.308   12.580   44.088   8.8517  102.072   26.230  134.997   14.030 -32.92443 29.74630 
1 1 1    6   28   10 o  243.053   25.689  196.365   21.188  116.169   42.235  223.337   24.494  184.831   48.343  301.275   17.396 -116.4447 51.37728 
1 1 1    6   28   11 o  276.066   19.566  191.020   24.184  240.521   42.070  166.588   29.556  298.329   30.174  253.802   24.918 44.52740 39.13298 
1 1 1    6   28   12 o   87.336   13.082   20.387   4.6003   16.590   9.2041   21.652   5.3113   79.567   23.275   95.105   11.950 -15.53799 26.16335 
1 1 1    6   28   13 o  115.085   12.237   32.244   5.6920   34.520   10.980   31.408   6.6562  115.756   21.073  114.414   12.448 1.341660 24.47476 
1 1 1    6   28   14 o  178.091   12.942   76.317   10.772   0.0000   0.0000   76.317   10.772  ?   ?   178.091   12.942      ?      ? 
1 1 1    6   28   15 o  200.786   19.804  107.999   18.582  106.247   26.214  109.768   26.344  198.983   28.189  202.589   27.824 -3.606323 39.60773 
1 1 1    6   28   16 o   47.686   13.750   2.8469   4.8273   2.6888   6.6364   3.0246   7.0348   46.890   19.143   48.481   19.742 -1.591431 27.49908 
1 1 1    6   28   17 o  105.096   13.425   27.486   6.0955   29.997   10.601   26.246   7.4502  106.660   21.997  103.532   15.398 3.128174 26.85062 
1 1 1    6   28   18 o   73.801   15.582   14.461   6.1561   19.669   8.2252   7.8285   9.2824   86.445   20.644   61.156   23.345 25.28873 31.16354 
1 1 1    6   28   19 o   67.651   13.894   11.184   4.5506   15.194   7.5493   8.8960   5.7032   75.918   20.705   59.383   18.532 16.53487 27.78743 
1 1 1    6   28   20 o  130.222   13.114   41.380   7.7092   47.363   12.979   38.119   9.5828  136.352   20.367  124.091   16.524 12.26088 26.22717 
1 1 1    6   28   21 o   82.112   16.310   17.181   6.0381   0.0000   0.0000   17.181   6.0381  ?   ?    82.112   16.310      ?      ? 
1 1 1    6   28   22 o   58.787   13.266   9.0934   4.3973   2.3011   8.0321   12.001   5.2548   49.309   20.678   68.264   16.625 -18.95533 26.53282 
1 1 1    6   28   23 o   52.215   13.138   4.7098   4.0636   10.773   6.9209   1.5196   5.0201   64.590   20.452   39.841   16.498 24.74899 26.27628 
1 1 1    6   28   24 o   45.023   12.725   2.3383   3.9950   5.8504   6.5746   0.2824   5.0301   52.598   19.746   37.448   16.058 15.14997 25.45099 
1 1 1    6   28   25 f  122.941   14.672   39.382   7.7321   40.098   13.320   39.018   9.4956  120.754   24.442  125.128   16.238 -4.373497 29.34420 
1 1 1    6   28   26 o  109.860   13.991   30.382   6.7854   35.692   11.423   27.487   8.4347  115.229   22.015  104.491   17.272 10.73876 27.98165 
1 1 1    6   28   27 o  109.473   14.276   30.353   6.7825   37.067   11.579   26.846   8.3686  117.380   21.913  101.567   18.303 15.81279 28.55162 
1 1 1    6   28   28 o  180.711   16.139   86.928   12.828   87.615   22.001   86.574   15.791  177.252   26.558  184.171   18.346 -6.918503 32.27879 
1 1 1    6   28   29 o   71.948   18.520   13.773   6.2643   13.773   6.2643   0.0000   0.0000   71.948   18.520  ?   ?       ?      ? 
1 1 1    6   28   30 o  204.311   14.288  110.849   13.487   93.971   19.103  127.618   19.042  186.650   21.900  221.972   18.356 -35.32210 28.57530 
1 1 1    6   28   31 o   95.530   13.748   18.782   5.6042   41.971   11.382   11.362   6.4388  126.275   19.287   64.785   19.596 61.48993 27.49551 
1 1 1    6   28   32 o  170.499   12.970   75.825   10.254   66.486   14.577   84.972   14.427  158.801   19.642  182.196   16.943 -23.39510 25.93966 
1 1 1    6   28   33 o  129.242   17.553   50.202   9.4530   40.284   16.656   54.914   11.481  112.016   30.840  146.467   16.773 -34.45138 35.10607 
1 1 1    6   28   34 o  104.295   16.595   31.127   7.5446   30.973   13.580   31.196   9.0737   99.288   28.036  109.303   17.763 -10.01432 33.18941 
1 1 1    6   28   35 o   46.309   14.621  -2.1301   6.8871   4.8872   9.2422 -10.8923   10.328   53.113   22.221   39.505   19.008 13.60747 29.24181 
1 1 1    6   28   36 o   64.019   19.486   11.634   6.3522   11.634   6.3522   0.0000   0.0000   64.019   19.486  ?   ?       ?      ? 
1 1 1    6   28   37 o   91.212   19.192   26.983   9.0568   19.953   12.597   34.505   13.030   78.177   27.630  104.247   26.645 -26.06963 38.38429 
1 1 1    6   28   38 o   46.964   14.293   1.1211   5.1111  -1.1879   5.9894   7.3075   9.8039   37.024   16.627   56.904   23.254 -19.88013 28.58625 
1 1 1    6   28   39 o   43.619   14.109  -3.5370   6.7119 -10.6892   9.3770   3.9773   9.6114   36.520   17.703   50.717   21.974 -14.19772 28.21837 
1 1 1    6   28   40 o   40.941   13.687  -5.4004   6.9016  -7.1725   9.5289  -3.4452   10.009   38.954   18.614   42.927   20.072 -3.973461 27.37419 
1 1 1    6   28   41 o   63.610   13.848   12.796   6.1336  -6.1975   10.956   21.466   7.4023   42.107   20.075   85.112   19.081 -43.00528 27.69662 
1 1 1    6   28   42 o   39.633   17.209   1.5959   5.9207   0.0000   0.0000   1.5959   5.9207  ?   ?    39.633   17.209      ?      ? 
1 1 1    6   28   43 o   55.635   13.828   8.7918   4.6574   13.588   6.9116   4.8029   6.3034   65.450   20.397   45.820   18.676 19.62967 27.65559 
1 1 1    6   28   44 o   76.767   14.562   20.893   6.1406   28.355   7.9001   9.5050   9.7600   98.106   17.890   55.427   22.982 42.67936 29.12380 
1 1 1    6   28   45 o   39.766   12.098   2.3892   4.1221   0.4653   6.1409   3.9671   5.5613   37.436   16.822   42.096   17.392 -4.659351 24.19637 
1 1 1    6   29    0 o   93.904   18.188   25.672   9.7600   25.672   9.7600   25.672   9.7600   93.904   25.722   93.904   25.722 -0.000000 0.000000 
1 1 1    6   29    1 f  148.239   12.729   50.150   8.4484   71.836   14.730   39.519   10.313  169.970   18.543  126.507   17.444 43.46319 25.45831 
1 1 1    6   29    2 o   74.134   13.125   15.540   4.8723   6.0833   8.5469   20.093   5.9303   57.180   22.249   91.087   13.931 -33.90736 26.25047 
1 1 1    6   29    3 o  132.989   17.211   47.788   10.180   28.588   14.258   67.755   14.540  101.149   28.785  164.829   18.875 -63.67933 34.42192 
1 1 1    6   29    4 o  241.275   16.480  140.254   16.466  172.986   32.934  129.346   19.013  254.084   27.735  228.467   17.806 25.61710 32.95906 
1 1 1    6   29    5 o  163.762   15.660   72.101   9.5874   62.853   19.268   75.145   11.053  151.232   28.302  176.293   13.415 -25.06010 31.32026 
1 1 1    6   29    6 o  168.350   11.683   69.737   9.1743   75.484   13.121   64.240   12.833  175.395   16.007  161.304   17.023 14.09186 23.36642 
1 1 1    6   29    7 o  124.331   10.790   37.856   6.2562   35.629   8.9284   40.005   8.7690  120.515   15.852  128.148   14.642 -7.632805 21.57961 
1 1 1    6   29    8 o  242.681   23.506  177.316   22.632  136.787   39.140  197.674   27.740  206.986   41.899  278.376   21.322 -71.39046 47.01262 
1 1 1    6   29    9 o  158.344   11.445   61.694   8.4671   59.934   11.831   63.542   12.123  156.010   16.226  160.679   16.144 -4.669296 22.88938 
1 1 1    6   29   10 o  129.477   13.269   41.393   7.5994   40.056   9.3044   44.071   13.171  127.751   15.584  131.203   21.479 -3.451920 26.53717 
1 1 1    6   29   11 o   93.412   22.732   23.382   9.8298   0.0000   0.0000   23.382   9.8298  ?   ?    93.412   22.732      ?      ? 
1 1 1    6   29   12 o  141.466   15.955   49.304   10.549   0.0000   0.0000   49.304   10.549  ?   ?   141.466   15.955      ?      ? 
1 1 1    6   29   13 o   88.046   22.371   20.786   9.2242   0.0000   0.0000   20.786   9.2242  ?   ?    88.046   22.371      ?      ? 
1 1 1    6   29   14 o  103.128   15.307   26.131   7.3775   0.0000   0.0000   26.131   7.3775  ?   ?   103.128   15.307      ?      ? 
1 1 1    6   29   15 o   27.843   12.695  -2.1178   3.6552   0.0000   0.0000  -2.1178   3.6552  ?   ?    27.843   12.695      ?      ? 
1 1 1    6   29   16 o   55.725   15.560   7.8898   4.2076   0.0000   0.0000   7.8898   4.2076  ?   ?    55.725   15.560      ?      ? 
1 1 1    6   29   17 o  147.635   12.894   52.899   8.8968   0.0000   0.0000   52.899   8.8968  ?   ?   147.635   12.894      ?      ? 
1 1 1    6   29   18 o   36.903   15.382   1.0763   4.4051   0.0000   0.0000   1.0763   4.4051  ?   ?    36.903   15.382      ?      ? 
1 1 1    6   29   19 o  181.896   27.074   91.228   23.015   0.0000   0.0000   91.228   23.015  ?   ?   181.896   27.074      ?      ? 
1 1 1    6   29   20 o  103.560   16.726   26.826   8.0952   0.0000   0.0000   26.826   8.0952  ?   ?   103.560   16.726      ?      ? 
1 1 1    6   29   21 o  131.295   16.526   43.119   10.140   0.0000   0.0000   43.119   10.140  ?   ?   131.295   16.526      ?      ? 
1 1 1    6   29   22 o  108.101   14.946   33.703   6.9162   22.667   11.591   39.805   8.6187   89.165   26.129  127.036   14.517 -37.87041 29.89108 
1 1 1    6   29   23 o  158.683   14.182   62.464   10.092   75.440   17.400   55.886   12.388  168.965   22.034  148.401   17.862 20.56451 28.36440 
1 1 1    6   29   24 o  187.886   15.962   92.295   13.255  100.097   22.986   88.409   16.223  190.057   25.879  185.714   18.692 4.342545 31.92332 
1 1 1    6   29   25 o  216.279   18.054  125.357   17.431  147.921   30.133  114.010   21.369  226.038   28.524  206.519   22.140 19.51906 36.10835 
1 1 1    6   29   26 o  104.071   12.806   26.303   5.3616   32.924   10.767   24.120   6.1827  109.349   21.833   98.792   13.391 10.55650 25.61258 
1 1 1    6   29   27 o   62.186   12.682   9.9153   3.8049   12.412   6.2193   8.4218   4.8101   67.704   18.922   56.668   16.892 11.03658 25.36472 
1 1 1    6   29   28 o   75.345   12.333   14.944   4.2122   16.167   6.5385   14.077   5.5073   77.582   18.325   73.108   16.509 4.473503 24.66506 
1 1 1    6   29   29 o  207.181   12.548  107.927   11.976  129.673   18.990   93.568   15.432  223.566   18.176  190.796   17.306 32.77069 25.09691 
1 1 1    6   29   30 o  151.946   12.291   59.759   8.7164   62.935   12.321   56.576   12.333  156.431   16.853  147.461   17.895 8.970108 24.58186 
1 1 1    6   29   31 o   75.725   14.995   18.323   5.9519   6.7877   11.621   22.425   6.9298   59.412   24.891   92.038   16.727 -32.62635 29.98939 
1 1 1    6   29   32 o  137.961   20.912   62.861   13.087   57.081   18.803   68.290   18.225  128.554   31.536  147.367   27.473 -18.81351 41.82428 
1 1 1    6   29   33 o   93.781   18.568   28.111   8.6809   36.560   12.749   20.808   11.853  107.993   25.643   79.568   26.860 28.42504 37.13530 
1 1 1    6   29   34 o   99.866   15.778   26.115   6.6998   21.062   7.9255   38.767   12.541   86.213   20.049  113.518   24.368 -27.30452 31.55573 
1 1 1    6   29   35 o   85.537   18.238   22.983   8.6866   11.616   12.051   35.277   12.533   64.801   26.034  106.273   25.549 -41.47202 36.47612 
1 1 1    6   29   36 o   90.075   20.002   29.144   9.3787   28.852   13.161   29.446   13.369   89.746   28.175   90.404   28.399 -0.6581726 40.00452 
1 1 1    6   29   37 o   89.011   19.150   28.238   8.6599   25.536   11.707   31.504   12.870   84.688   26.571   93.334   27.585 -8.645470 38.30083 
1 1 1    6   29   38 o   55.940   16.218   8.6806   6.7679   7.7368   10.334   9.3895   8.9558   55.099   23.298   56.781   22.567 -1.681881 32.43559 
1 1 1    6   29   39 o   90.039   17.349   26.943   7.1442   31.587   12.741   24.814   8.6284   91.081   27.569   88.998   21.071 2.083267 34.69890 
1 1 1    6   29   40 o   45.243   12.556   3.4298   4.3272  -2.3393   6.0331   9.5418   6.2098   34.395   15.911   56.090   19.428 -21.69514 25.11207 
1 1 1    6   29   41 o   59.292   13.493   10.245   4.8133   3.4228   6.7651   17.239   6.8498   43.905   18.719   74.678   19.438 -30.77397 26.98557 
1 1 1    6   29   42 o   98.788   17.295   37.203   8.0300   39.438   9.6309   32.105   14.545  115.376   17.861   82.201   29.621 33.17484 34.58902 
1 1 1    6   29   43 o   52.131   15.152   6.7000   5.3546   3.5470   6.2592   15.305   10.340   42.214   18.002   62.048   24.378 -19.83410 30.30417 
1 1 1    6   30    1 o  172.169   25.928   79.696   20.863   79.696   20.863   0.0000   0.0000  172.169   25.928  ?   ?       ?      ? 
1 1 1    6   30    2 o  133.183   24.388   47.890   14.621   47.890   14.621   0.0000   0.0000  133.183   24.388  ?   ?       ?      ? 
1 1 1    6   30    3 o  224.946   32.524  146.376   34.192  146.376   34.192   0.0000   0.0000  224.946   32.524  ?   ?       ?      ? 
1 1 1    6   30    4 o  147.694   24.104   57.665   16.637   57.665   16.637   0.0000   0.0000  147.694   24.104  ?   ?       ?      ? 
1 1 1    6   30    5 o  104.604   22.602   29.359   10.727   29.359   10.727   0.0000   0.0000  104.604   22.602  ?   ?       ?      ? 
1 1 1    6   30    6 f  157.964   18.087   68.196   12.604   88.481   18.043   48.867   17.613  185.618   20.800  130.309   29.596 55.30887 36.17380 
1 1 1    6   30    7 o   92.798   16.446   23.582   7.1879   19.407   10.341   27.486   9.9985   84.061   24.693  101.534   21.727 -17.47382 32.89117 
1 1 1    6   30    8 o  177.015   20.369   89.173   15.742  118.418   22.407   60.672   22.120  212.859   22.524  141.171   33.944 71.68817 40.73764 
1 1 1    6   30    9 o  128.239   15.475   45.268   8.2814   37.115   14.137   49.527   10.218  114.829   26.827  141.649   15.435 -26.82056 30.95046 
1 1 1    6   30   10 o  122.219   16.421   40.556   9.0543   52.859   12.857   28.452   12.753  144.238   19.073  100.201   26.737 44.03652 32.84269 
1 1 1    6   30   11 o  144.690   15.164   55.729   9.3931   51.441   15.676   58.131   11.733  136.608   25.491  152.772   16.433 -16.16406 30.32891 
1 1 1    6   30   12 o  135.220   16.852   45.730   10.650   0.0000   0.0000   45.730   10.650  ?   ?   135.220   16.852      ?      ? 
1 1 1    6   30   13 o  186.976   17.785   88.198   15.541   0.0000   0.0000   88.198   15.541  ?   ?   186.976   17.785      ?      ? 
1 1 1    6   30   14 o  132.257   16.680   54.129   8.9407   29.388   15.204   67.208   11.054   99.196   30.136  165.318   14.307 -66.12247 33.35978 
1 1 1    6   30   15 o  131.682   24.421   47.648   14.476   47.648   14.476   0.0000   0.0000  131.682   24.421  ?   ?       ?      ? 
1 1 1    6   30   16 o  112.598   14.737   34.910   7.1315   28.360   11.774   38.705   8.9625  100.326   25.158  124.870   15.358 -24.54431 29.47495 
1 1 1    6   30   17 o  145.294   16.915   56.514   11.056   44.625   14.822   71.426   16.600  125.724   26.081  164.864   21.545 -39.13983 33.82901 
1 1 1    6   30   18 o  133.616   14.611   46.675   8.4067   47.825   14.346   46.073   10.374  131.691   24.202  135.542   16.377 -3.850601 29.22263 
1 1 1    6   30   19 o  160.980   14.181   64.899   10.104   75.667   17.801   59.782   12.272  168.206   22.645  153.755   17.078 14.45177 28.36258 
1 1 1    6   30   20 o   60.278   22.682   8.5393   8.6851   0.0000   0.0000   8.5393   8.6851  ?   ?    60.278   22.682      ?      ? 
1 1 1    6   30   21 o  131.323   17.107   44.063   10.499   0.0000   0.0000   44.063   10.499  ?   ?   131.323   17.107      ?      ? 
1 1 1    6   30   22 o   75.063   15.552   14.659   5.2762   0.0000   0.0000   14.659   5.2762  ?   ?    75.063   15.552      ?      ? 
1 1 1    6   30   23 o  137.197   13.168   46.574   8.4430   0.0000   0.0000   46.574   8.4430  ?   ?   137.197   13.168      ?      ? 
1 1 1    6   30   24 o   70.303   12.902   13.221   4.2956   15.288   6.2176   11.334   5.9415   75.650   17.871   64.955   18.614 10.69485 25.80406 
1 1 1    6   30   25 o   66.413   13.325   11.850   4.3773   9.6004   6.1084   14.224   6.2758   60.189   19.230   72.637   18.451 -12.44727 26.65045 
1 1 1    6   30   26 o  186.708   13.348   91.897   11.639   95.355   16.442   88.423   16.478  190.707   18.448  182.710   19.298 7.996887 26.69694 
1 1 1    6   30   27 o   74.354   13.714   15.316   4.8108   14.953   6.6397   15.718   6.9800   73.553   19.134   75.154   19.651 -1.600670 27.42723 
1 1 1    6   30   28 o   82.174   15.291   20.717   5.7984   16.149   10.921   22.510   6.8424   72.518   25.716   91.830   16.552 -19.31230 30.58262 
1 1 1    6   30   29 o   66.586   15.286   11.044   5.2154   19.690   9.4599   7.2693   6.2512   80.048   23.648   53.124   19.377 26.92385 30.57240 
1 1 1    6   30   30 o  102.212   18.193   32.857   8.7372   36.596   12.241   28.974   12.475  109.837   24.473   94.587   26.928 15.25070 36.38699 
1 1 1    6   30   31 o  120.905   14.110   35.587   7.3244   57.549   13.581   26.579   8.6977  144.431   20.120   97.379   19.786 47.05147 28.21901 
1 1 1    6   30   32 o   74.297   17.283   16.289   7.3137   26.062   11.161   8.9328   9.6824   89.920   25.425   58.673   23.418 31.24675 34.56637 
1 1 1    6   30   33 o   76.846   18.270   20.600   7.9517   16.661   12.004   23.680   10.615   69.628   26.555   84.065   25.101 -14.43711 36.54068 
1 1 1    6   30   34 o   77.602   16.339   17.541   5.9282   26.461   11.056   13.942   7.0231   87.755   25.464   67.448   20.480 20.30687 32.67801 
1 1 1    6   30   35 f   73.341   15.479   14.475   7.1237   33.489   10.836   0.0000   9.4539  101.887   23.267   44.796   20.422 57.09115 30.95838 
1 1 1    6   30   36 o   65.845   16.305   13.475   5.8349   19.171   10.485   10.919   7.0229   72.548   25.238   59.143   20.651 13.40482 32.61032 
1 1 1    6   30   37 o   91.360   13.411   25.673   5.6654   33.798   7.8568   16.871   8.1770  111.514   15.076   71.206   22.185 40.30848 26.82243 
1 1 1    6   30   38 o   57.845   13.499   10.391   4.6743   14.477   6.1240   4.6887   7.2349   69.048   18.572   46.643   19.596 22.40533 26.99888 
1 1 1    6   30   39 o   88.669   13.924   24.486   5.6301   20.547   7.6390   29.170   8.3300   79.679   20.420   97.659   18.935 -17.97976 27.84799 
1 1 1    6   30   40 o   68.208   17.387   18.644   7.2367   15.066   10.327   22.097   10.144   61.744   24.329   74.672   24.847 -12.92835 34.77442 
1 1 1    6   31    0 o  144.837   12.313   52.907   11.336   52.907   11.336   52.907   11.336  144.837   17.414  144.837   17.414 -0.000000 0.000000 
1 1 1    6   31    1 o   44.893   12.714   3.0574   4.0783   4.1466   5.5732   1.8016   5.9839   46.759   18.029   43.027   17.930 3.731792 25.42752 
1 1 1    6   31    2 o   47.277   20.525   0.5046   8.4201   0.0000   0.0000   0.5046   8.4201  ?   ?    47.277   20.525      ?      ? 
1 1 1    6   31    3 o   50.210   13.182   5.4471   4.1269   6.2401   5.4559   4.3866   6.3092   51.589   18.189   48.830   19.084 2.758606 26.36334 
1 1 1    6   31    4 o  136.374   11.778   46.616   7.5048   45.495   10.475   47.798   10.758  134.700   16.639  138.049   16.674 -3.349106 23.55609 
1 1 1    6   31    5 o  180.232   12.832   82.865   10.684   69.093   15.032   96.927   15.189  163.790   19.637  196.674   16.525 -32.88380 25.66477 
1 1 1    6   31    6 o   66.800   13.386   11.656   4.4372   14.585   6.4174   8.9726   6.1418   74.304   18.540   59.296   19.314 15.00847 26.77292 
1 1 1    6   31    7 o  176.215   14.536   79.482   11.347   85.009   19.567   76.680   13.929  177.982   23.523  174.448   17.085 3.533981 29.07281 
1 1 1    6   31    8 o   79.196   12.521   16.326   4.6926   21.958   6.6936   10.882   6.5804   94.037   15.231   64.355   19.877 29.68256 25.04154 
1 1 1    6   31    9 o   79.213   14.878   16.083   6.1932   27.573   9.1894   6.5207   8.3830  101.900   20.010   56.525   22.023 45.37508 29.75634 
1 1 1    6   31   10 f   39.687   18.298  -4.5143   7.8822  -4.5143   7.8822   0.0000   0.0000   39.687   18.298  ?   ?       ?      ? 
1 1 1    6   31   11 o   79.865   17.121   17.585   6.9035   15.452   9.1346   20.426   10.542   74.883   23.467   84.847   24.935 -9.964767 34.24136 
1 1 1    6   31   12 o   91.441   14.758   20.348   5.7288   16.729   6.7532   29.636   10.819   79.384   18.539  103.498   22.967 -24.11433 29.51586 
1 1 1    6   31   13 o  143.274   16.630   51.949   11.135   0.0000   0.0000   51.949   11.135  ?   ?   143.274   16.630      ?      ? 
1 1 1    6   31   14 o   96.842   13.356   21.982   5.7330   37.416   10.038   14.511   6.9839  120.645   17.804   73.038   19.913 47.60744 26.71140 
1 1 1    6   31   15 o   75.111   14.681   16.030   5.3039   12.956   8.9967   17.668   6.5664   68.675   23.400   81.548   17.735 -12.87302 29.36120 
1 1 1    6   31   16 o  114.939   26.329   39.049   13.839   0.0000   0.0000   39.049   13.839  ?   ?   114.939   26.329      ?      ? 
1 1 1    6   31   17 o  120.413   18.038   41.999   9.8382   36.215   13.471   48.612   14.403  110.379   26.458  130.448   24.525 -20.06901 36.07605 
1 1 1    6   31   18 o  176.469   31.497   97.302   25.023   0.0000   0.0000   97.302   25.023  ?   ?   176.469   31.497      ?      ? 
1 1 1    6   31   19 o   42.408   17.015   2.8510   5.1402   0.0000   0.0000   2.8510   5.1402  ?   ?    42.408   17.015      ?      ? 
1 1 1    6   31   20 o  110.529   24.914   35.438   12.562   0.0000   0.0000   35.438   12.562  ?   ?   110.529   24.914      ?      ? 
1 1 1    6   31   21 o  111.650   14.325   32.294   6.9455   38.880   12.150   29.097   8.4650  117.141   23.014  106.159   17.062 10.98257 28.64907 
1 1 1    6   31   22 o  126.522   15.566   44.345   8.4996   45.771   14.452   43.592   10.509  123.793   25.816  129.251   17.398 -5.457222 31.13142 
1 1 1    6   31   23 o   83.450   18.940   19.286   7.2176   0.0000   0.0000   19.286   7.2176  ?   ?    83.450   18.940      ?      ? 
1 1 1    6   31   24 o   52.668   13.284   3.0123   4.6214   15.315   7.8798  -3.4381   5.7058   72.119   21.648   33.217   15.404 38.90173 26.56869 
1 1 1    6   31   25 o   63.031   14.858   10.606   5.0657   15.370   8.2590   7.7330   6.4139   71.742   22.287   54.321   19.655 17.42081 29.71583 
1 1 1    6   31   26 o   62.083   14.665   9.0593   6.1605  -2.9879   9.0894   19.296   8.3785   42.993   19.759   81.173   21.677 -38.18023 29.33087 
1 1 1    6   31   27 o  126.838   16.434   49.147   8.7599   39.523   14.822   54.313   10.860  109.382   28.652  144.294   16.103 -34.91179 32.86729 
1 1 1    6   31   28 o   92.996   18.446   28.285   8.4249   32.236   11.925   24.349   11.904  100.700   25.355   85.292   26.800 15.40871 36.89286 
1 1 1    6   31   29 o   68.970   24.079   15.403   9.5480   0.0000   0.0000   15.403   9.5480  ?   ?    68.970   24.079      ?      ? 
1 1 1    6   31   30 o   39.834   12.112   0.3355   4.5699 -11.1799   8.4972   5.0218   5.4206   33.765   16.476   45.902   17.758 -12.13724 24.22434 
1 1 1    6   31   31 o  121.339   14.383   41.240   6.8664   48.664   13.784   38.789   7.9189  121.204   25.157  121.473   13.949 -0.2694778 28.76548 
1 1 1    6   31   32 o   57.874   12.761   9.7401   3.7456   10.504   6.1189   9.2820   4.7367   58.955   19.282   56.794   16.721 2.161072 25.52224 
1 1 1    6   31   33 o   36.575   11.366   0.6401   3.7484   0.5935   5.3093   0.6865   5.2929   36.519   16.066   36.630   16.080 -0.1109848 22.73106 
1 1 1    6   31   34 o   49.439   13.991   6.3858   4.7937   7.0027   5.8118   5.0730   8.4786   49.995   18.605   48.883   20.901 1.111706 27.98228 
1 1 1    6   31   35 f   49.073   12.874   5.9544   4.3234   0.8408   6.1445   10.968   6.0842   38.695   17.141   59.452   19.213 -20.75678 25.74792 
1 1 1    6   31   36 o   62.893   12.619   11.709   4.4499   4.3459   6.0877   20.158   6.5208   43.757   18.147   82.030   17.541 -38.27271 25.23880 
1 1 1    6   31   37 o   55.173   13.821   9.9256   4.4603   9.7993   6.3061   10.052   6.3097   54.875   19.532   55.470   19.560 -0.5954933 27.64248 
1 1 1    6   32    0 o  149.601   11.935   56.610   11.414   56.610   11.414   56.610   11.414  149.601   16.878  149.601   16.878 -0.000000 0.000000 
1 1 1    6   32    1 o  188.729   13.365   93.395   11.740  102.088   16.596   84.689   16.609  198.601   17.881  178.857   19.870 19.74309 26.73080 
1 1 1    6   32    2 o  178.522   13.842   84.703   11.402   96.309   15.903   72.425   16.357  193.153   17.617  163.891   21.355 29.26125 27.68367 
1 1 1    6   32    3 o   67.938   14.107   13.590   5.3878   3.1538   9.5772   18.422   6.5169   52.413   22.307   83.463   17.276 -31.05076 28.21491 
1 1 1    6   32    4 o  220.119   19.792  140.442   19.139  135.016   23.435  151.306   33.163  221.916   22.596  218.322   32.502 3.594147 39.58477 
1 1 1    6   32    5 o   51.613   13.042   6.2708   4.0732   8.3447   5.6641   4.0498   5.8616   56.660   18.553   46.567   18.336 10.09346 26.08444 
1 1 1    6   32    6 o   87.397   16.836   19.997   7.1497   12.584   8.9602   32.988   11.862   67.716   23.344  107.079   24.265 -39.36323 33.67109 
1 1 1    6   32    7 o  172.695   15.611   77.828   12.101   69.477   14.884   94.112   20.784  162.159   19.640  183.230   24.272 -21.07146 31.22259 
1 1 1    6   32    8 o  111.028   24.700   35.550   12.486   35.550   12.486   0.0000   0.0000  111.028   24.700  ?   ?       ?      ? 
1 1 1    6   32    9 o  119.403   17.056   36.541   9.5178   0.0000   0.0000   36.541   9.5178  ?   ?   119.403   17.056      ?      ? 
1 1 1    6   32   10 o  139.627   15.521   52.096   9.1910   56.241   16.278   50.155   11.136  139.327   25.954  139.927   17.029 -0.6005402 31.04169 
1 1 1    6   32   11 o  161.141   16.749   76.789   10.008   61.135   19.447   82.429   11.673  140.084   30.564  182.199   13.708 -42.11456 33.49768 
1 1 1    6   32   12 o  156.036   10.935   61.178   7.8617   63.366   12.249   59.646   10.252  157.475   16.644  154.598   14.189 2.876343 21.87099 
1 1 1    6   32   13 o   60.230   12.778   9.3961   4.7051  -0.4217   7.3994   16.061   6.0964   42.720   18.873   77.740   17.232 -35.02041 25.55628 
1 1 1    6   32   14 o  119.655   18.608   42.818   10.118   44.917   13.964   40.498   14.680  124.272   24.911  115.038   27.648 9.234299 37.21570 
1 1 1    6   32   15 o  127.528   16.902   42.101   10.074   0.0000   0.0000   42.101   10.074  ?   ?   127.528   16.902      ?      ? 
1 1 1    6   32   16 o  157.802   17.308   65.158   12.764   0.0000   0.0000   65.158   12.764  ?   ?   157.802   17.308      ?      ? 
1 1 1    6   32   17 o   58.235   18.075   9.2231   5.4340   0.0000   0.0000   9.2231   5.4340  ?   ?    58.235   18.075      ?      ? 
1 1 1    6   32   18 o   77.148   14.182   15.540   4.9248   0.0000   0.0000   15.540   4.9248  ?   ?    77.148   14.182      ?      ? 
1 1 1    6   32   19 o   79.769   13.354   14.783   4.5543   27.523   8.9362   10.312   5.2934   98.472   20.098   61.066   17.590 37.40574 26.70850 
1 1 1    6   32   20 o  129.696   15.723   48.893   8.5744   46.767   14.865   49.954   10.497  121.410   26.905  137.982   16.278 -16.57119 31.44554 
1 1 1    6   32   21 o   54.633   12.890   5.8686   3.6200   13.710   7.1073   3.1218   4.2065   69.137   20.515   40.129   15.610 29.00791 25.77916 
1 1 1    6   32   22 o   75.173   13.891   13.740   4.3767   21.828   9.0502   11.271   5.0003   85.918   22.333   64.428   16.526 21.49039 27.78265 
1 1 1    6   32   23 o   47.110   12.272   4.6861   4.0980  -2.5385   6.7427   8.9179   5.1606   37.310   17.099   56.909   17.607 -19.59951 24.54346 
1 1 1    6   32   24 o   60.932   15.637   10.447   5.9501   15.261   8.6468   6.1180   8.2003   69.792   22.926   52.071   21.272 17.72017 31.27445 
1 1 1    6   32   25 o   52.865   12.612   4.5285   4.4995   15.814   6.9708  -3.5317   5.8911   72.611   19.935   33.119   15.457 39.49232 25.22495 
1 1 1    6   32   26 o   74.544   13.110   16.783   4.7520   21.887   6.5036   10.937   6.9603   88.939   16.245   60.149   20.582 28.79034 26.22045 
1 1 1    6   32   27 o   58.366   12.567   10.067   3.8081   8.0169   5.8411   11.583   5.0221   53.033   18.807   63.699   16.675 -10.66579 25.13453 
1 1 1    6   32   28 o   57.646   11.650   9.7939   3.8195   3.0084   5.8277   14.904   5.0571   41.984   17.610   73.307   15.257 -31.32288 23.30049 
1 1 1    6   32   29 o   34.966   11.027  -0.4657   3.7583   1.7735   4.8700  -3.7629   5.9096   37.478   15.928   32.453   15.253 5.024632 22.05373 
1 1 1    6   32   30 o   33.658   10.574  -2.5692   3.6368  -8.1105   5.0119   3.5935   5.2855   25.393   12.447   41.922   17.096 -16.52860 21.14703 
1 1 1    6   32   31 o   76.217   13.399   17.625   4.7841   14.785   6.5893   20.790   6.9571   68.861   19.559   83.572   18.318 -14.71122 26.79703 
1 1 1    6   32   32 o   45.232   12.065   4.9502   3.8142   8.7228   5.1902   0.5206   5.6240   53.744   17.767   36.721   16.326 17.02312 24.12930 
1 1 1    6   32   33 o   38.388   11.718   1.8170   3.9175   3.8440   5.4031  -0.4296   5.6883   41.616   17.164   35.159   15.956 6.456547 23.43521 
1 1 1    6   33    0 o   51.420   16.075   9.5961   5.7493   9.5961   5.7493   9.5961   5.7493   51.420   22.733   51.420   22.733 -0.000000 0.000000 
1 1 1    6   33    1 o   55.783   13.485   8.1595   4.2282   8.4565   5.9510   7.8566   6.0085   56.526   19.032   55.041   19.108 1.485096 26.96945 
1 1 1    6   33    2 o   82.354   15.484   18.983   5.8709   21.972   9.8695   17.346   7.3036   85.969   23.769   78.739   19.852 7.230408 30.96877 
1 1 1    6   33    3 o   55.456   12.963   7.5492   4.1057   3.8516   5.5601   11.983   6.0886   45.039   17.818   65.873   18.833 -20.83407 25.92607 
1 1 1    6   33    4 o  112.693   12.359   34.158   6.2107   39.321   8.5327   28.341   9.0573  124.299   14.689  101.088   19.880 23.21023 24.71762 
1 1 1    6   33    5 o   68.309   14.708   13.026   4.9462   12.490   6.0895   14.066   8.4798   67.107   18.712   69.512   22.697 -2.404503 29.41640 
1 1 1    6   33    6 o  112.521   11.890   33.531   6.0523   38.199   8.5770   28.901   8.5416  122.053   15.036  102.989   18.423 19.06403 23.77990 
1 1 1    6   33    7 o  103.731   14.910   31.126   6.8963   27.341   11.007   33.572   8.8482   94.419   24.672  113.043   16.748 -18.62457 29.81930 
1 1 1    6   33    8 o  151.864   11.541   61.546   7.9205   53.860   12.281   67.020   10.364  141.106   18.623  162.622   13.636 -21.51645 23.08200 
1 1 1    6   33    9 o   43.848   12.223   3.3418   3.8202   6.1411   5.4539   0.6454   5.3527   49.719   18.104   37.978   16.427 11.74145 24.44574 
1 1 1    6   33   10 o   92.208   14.564   23.266   5.9780   30.352   9.8946   19.193   7.5021  102.389   21.368   82.028   19.796 20.36111 29.12878 
1 1 1    6   33   11 o   77.551   13.072   16.659   4.6924   13.620   6.3673   20.271   6.9419   69.324   19.060   85.778   17.895 -16.45379 26.14472 
1 1 1    6   33   12 o   66.762   14.498   13.337   5.3255   7.1570   8.6419   17.120   6.7620   55.373   22.117   78.151   18.753 -22.77882 28.99689 
1 1 1    6   33   13 o   80.643   14.561   19.609   5.6541   13.778   8.9685   23.456   7.2840   68.219   23.363   93.066   17.386 -24.84694 29.12218 
1 1 1    6   33   14 o   69.895   13.440   14.342   4.3998   11.028   8.2364   15.666   5.2047   62.662   22.321   77.128   14.979 -14.46591 26.88087 
1 1 1    6   33   15 o   89.371   14.225   24.405   5.8420   15.755   9.8058   29.164   7.2738   71.984   24.430  106.757   14.579 -34.77314 28.44940 
1 1 1    6   33   16 o  133.812   15.594   50.906   8.9208   53.194   15.372   49.745   10.954  130.788   26.064  136.836   17.129 -6.047928 31.18860 
1 1 1    6   33   17 o   88.383   13.050   18.870   5.3724   37.607   9.2942   9.4679   6.5837  118.687   16.756   58.080   20.011 60.60674 26.09977 
1 1 1    6   33   18 o   57.797   15.660   9.1742   4.3351   0.0000   0.0000   9.1742   4.3351  ?   ?    57.797   15.660      ?      ? 
1 1 1    6   33   19 f   89.644   13.873   22.281   5.0243   25.781   10.307   21.191   5.7543   88.889   24.173   90.400   13.620 -1.510994 27.74581 
1 1 1    6   33   20 o   41.506   11.841   1.0282   3.2930   8.3963   6.5112  -1.5041   3.8171   54.425   19.787   28.588   13.012 25.83616 23.68168 
1 1 1    6   33   21 o  117.167   16.955   47.287   8.5282   35.086   14.825   53.322   10.426   94.074   29.948  140.260   15.905 -46.18591 33.90954 
1 1 1    6   33   22 o   58.691   13.488   10.872   4.6404   4.1846   8.4228   13.786   5.5604   48.230   20.733   69.152   17.260 -20.92224 26.97665 
1 1 1    6   33   23 o   49.232   12.470   6.0355   4.4580  -4.1838   7.6765   11.236   5.4760   36.832   17.334   61.632   17.931 -24.79962 24.94006 
1 1 1    6   33   24 o   42.698   12.851   2.9048   4.3156   3.6662   7.3501   2.5042   5.3313   45.466   19.451   39.930   16.801 5.536472 25.70245 
1 1 1    6   33   25 o   77.979   13.673   14.494   4.6586   31.486   9.3663   8.9083   5.3700  101.091   20.526   54.867   18.069 46.22394 27.34611 
1 1 1    6   33   26 o   69.358   14.593   16.894   5.5372   8.9528   10.365   20.066   6.5503   55.618   23.415   83.099   17.423 -27.48114 29.18641 
1 1 1    6   33   27 o   69.668   13.676   15.182   4.6284   16.186   6.3419   14.039   6.7702   72.989   18.552   66.346   20.100 6.643509 27.35278 
1 1 1    6   33   28 o   80.220   12.691   19.232   4.8242   13.342   6.5560   26.188   7.1243   64.085   19.848   96.356   15.820 -32.27139 25.38161 
1 1 1    6   33   29 o   71.895   13.827   16.987   4.8480   19.460   6.6558   14.192   7.0757   79.264   18.332   64.525   20.706 14.73908 27.65496 
1 1 1    6   34    0 o   52.243   19.762   11.306   9.3334   11.306   9.3334   11.306   9.3334   52.243   27.948   52.243   27.948 -0.000000 0.000000 
1 1 1    6   34    1 o   46.671   13.630   2.6484   5.1143  -2.2283   7.3034   7.3409   7.1640   39.276   17.923   54.067   20.540 -14.79103 27.26042 
1 1 1    6   34    2 o   92.667   14.963   26.448   6.3122   19.435   10.780   30.107   7.7869   77.833   25.599  107.501   15.499 -29.66759 29.92590 
1 1 1    6   34    3 o  129.099   12.116   44.650   7.1759   35.629   10.058   54.001   10.241  114.033   18.873  144.164   15.200 -30.13123 24.23283 
1 1 1    6   34    4 o  101.020   12.226   27.564   5.6590   26.776   7.8722   28.407   8.1406   98.796   17.700  103.244   16.871 -4.448601 24.45238 
1 1 1    6   34    5 o   71.256   13.647   14.814   4.7564   17.635   6.4786   11.515   7.0054   79.527   17.867   62.984   20.633 16.54243 27.29391 
1 1 1    6   34    6 o   75.507   13.302   16.251   4.7503   12.482   6.5778   20.359   6.8676   65.491   19.806   85.522   17.763 -20.03088 26.60429 
1 1 1    6   34    7 o  114.211   12.869   35.778   6.5406   26.666   8.8584   46.699   9.6980   95.516   20.460  132.906   15.613 -37.38940 25.73731 
1 1 1    6   34    8 o  155.346   12.567   65.925   8.9334   51.051   12.244   82.856   13.063  134.290   19.509  176.401   15.846 -42.11095 25.13338 
1 1 1    6   34    9 o   56.912   15.626   6.3688   6.0946   0.4758   7.6181   16.846   10.158   42.600   18.967   71.225   24.838 -28.62473 31.25209 
1 1 1    6   34   10 o  125.319   15.903   46.892   8.8103   51.902   14.492   43.954   11.096  126.254   25.440  124.384   19.088 1.870094 31.80504 
1 1 1    6   34   11 o  158.291   19.101   85.426   12.449   74.570   21.259   91.091   15.357  136.477   33.564  180.104   18.245 -43.62627 38.20209 
1 1 1    6   34   12 o   71.387   14.379   14.391   5.0532   22.090   8.2681   9.8003   6.3843   85.059   20.939   57.714   19.712 27.34542 28.75777 
1 1 1    6   34   13 o   27.756   12.833  -2.2773   3.9180   0.0000   0.0000  -2.2773   3.9180  ?   ?    27.756   12.833      ?      ? 
1 1 1    6   34   14 o   45.730   12.214   2.0576   3.5647   11.606   6.7756  -1.5968   4.1918   61.655   20.296   29.804   13.592 31.85060 24.42726 
1 1 1    6   34   15 o   87.959   13.474   22.955   4.9567   22.039   9.4391   23.304   5.8244   81.315   23.509   94.603   13.173 -13.28809 26.94791 
1 1 1    6   34   16 o   64.937   13.835   13.138   4.4058   11.531   8.4966   13.729   5.1527   60.185   22.476   69.689   16.138 -9.504570 27.66973 
1 1 1    6   34   17 o   69.554   12.815   11.376   4.7703   27.912   8.1758   2.8419   5.8738   97.413   18.638   41.695   17.594 55.71817 25.63039 
1 1 1    6   34   18 o   72.371   18.515   15.713   6.2878   0.0000   0.0000   15.713   6.2878  ?   ?    72.371   18.515      ?      ? 
1 1 1    6   34   19 o   66.224   13.298   9.6146   4.4687   25.556   8.4660   3.4574   5.2614   90.845   20.435   41.603   17.022 49.24205 26.59591 
1 1 1    6   34   20 o   82.046   15.732   21.020   5.8590   25.975   10.485   18.770   7.0649   85.710   24.776   78.381   19.393 7.328697 31.46324 
1 1 1    6   34   21 o   46.108   13.506   4.7324   4.7725   3.7790   7.1226   5.5091   6.4292   45.053   19.208   47.162   18.991 -2.108887 27.01121 
1 1 1    6   34   22 o   96.908   15.716   33.314   6.8942   25.337   12.382   36.899   8.2998   78.307   27.416  115.509   15.375 -37.20152 31.43272 
1 1 1    6   34   23 o  122.881   16.960   51.854   8.7461   52.285   15.603   51.657   10.561  112.216   29.399  133.546   16.922 -21.33009 33.92084 
1 1 1    6   34   24 o   66.314   22.232   15.823   8.1197   0.0000   0.0000   15.823   8.1197  ?   ?    66.314   22.232      ?      ? 
1 1 1    6   35    0 o   50.135   16.579   9.9728   6.1355   9.9728   6.1355   9.9728   6.1355   50.135   23.446   50.135   23.446 -0.000000 0.000000 
1 1 1    6   35    1 o   64.079   14.658   11.096   6.2664  -1.4150   8.8149   23.878   8.9100   41.939   19.341   86.220   22.031 -44.28110 29.31613 
1 1 1    6   35    2 o   77.337   17.027   21.058   7.0564   16.263   10.399   25.151   9.6067   67.577   24.938   87.096   23.189 -19.51830 34.05353 
1 1 1    6   35    3 o  120.160   19.765   52.995   10.997   62.252   15.746   44.179   15.366  134.778   25.940  105.542   29.830 29.23617 39.53101 
1 1 1    6   35    4 o   48.610   13.851   5.8761   4.8389   4.1601   7.9072   6.9035   6.1183   47.097   20.162   50.123   18.996 -3.026257 27.70163 
1 1 1    6   35    5 o   42.794   12.417   3.5951   3.9602   2.6792   5.3322   4.7218   5.9142   40.298   16.871   45.290   18.223 -4.992275 24.83331 
1 1 1    6   35    6 o   41.470   11.892   3.1999   3.7570   5.5936   4.9991   0.0934   5.6950   46.164   17.240   36.776   16.385 9.387428 23.78420 
1 1 1    6   35    7 o   91.577   18.173   30.517   8.2231   33.929   11.196   26.520   12.117  100.228   24.180   82.926   27.135 17.30168 36.34527 
1 1 1    6   35    8 o   44.727   20.088   1.5056   8.7444   0.0000   0.0000   1.5056   8.7444  ?   ?    44.727   20.088      ?      ? 
1 1 1    6   35    9 o   57.812   23.735   10.471   10.274   0.0000   0.0000   10.471   10.274  ?   ?    57.812   23.735      ?      ? 
1 1 1    6   35   10 o  105.176   13.958   29.463   6.8608   0.0000   0.0000   29.463   6.8608  ?   ?   105.176   13.958      ?      ? 
1 1 1    6   35   11 o   54.233   16.872   8.5344   4.7315   0.0000   0.0000   8.5344   4.7315  ?   ?    54.233   16.872      ?      ? 
1 1 1    6   35   12 o   71.458   17.572   15.036   5.8273   0.0000   0.0000   15.036   5.8273  ?   ?    71.458   17.572      ?      ? 
1 1 1    6   35   13 o   68.858   13.180   14.424   4.3552   15.494   6.1594   13.354   6.1589   71.798   18.302   65.918   18.970 5.879601 26.35920 
1 1 1    6   35   14 o  105.403   11.983   31.810   5.6862   26.766   8.0152   36.920   8.0681   94.413   18.825  116.393   14.832 -21.97963 23.96637 
1 1 1    6   35   15 o   77.175   16.656   21.208   6.6014   18.891   9.2908   23.571   9.3814   72.221   23.767   82.129   23.341 -9.908562 33.31136 
1 1 1    6   35   16 o   26.768   9.0417  -4.8664   3.2697  -1.7885   4.0216 -10.8684   5.6158   28.363   13.075   25.173   12.493 3.190147 18.08343 
1 1 1    6   35   17 o   77.665   16.126   21.902   6.8599   31.641   9.8327   12.665   9.5752   96.524   22.252   58.807   23.346 37.71751 32.25209 
1 1 1    6   35   18 o   67.768   14.413   16.006   5.0007   13.497   8.7670   17.217   6.0883   60.511   22.785   75.025   17.658 -14.51415 28.82605 
1 1 1    6   36    0 o   47.423   18.874   10.669   8.9925   10.669   8.9925   10.669   8.9925   47.423   26.692   47.423   26.692 -0.000000 0.000000 
1 1 1    6   36    1 o  195.160   19.908  146.556   17.294  124.632   24.444  168.526   24.470  169.944   31.950  220.376   23.759 -50.43243 39.81560 
1 1 1    6   36    2 o   40.026   12.021   2.7834   3.9168   3.5365   5.6965   2.1081   5.3943   41.573   17.423   38.479   16.567 3.094208 24.04232 
1 1 1    6   36    3 o   66.698   16.834   16.597   6.8323   22.551   10.040   11.461   9.3244   76.398   24.680   56.998   22.900 19.39935 33.66725 
1 1 1    6   36    4 o   43.925   19.069   3.6521   7.2671   0.0000   0.0000   3.6521   7.2671  ?   ?    43.925   19.069      ?      ? 
1 1 1    6   36    5 o   48.192   20.146   6.2698   7.5876   0.0000   0.0000   6.2698   7.5876  ?   ?    48.192   20.146      ?      ? 
1 1 1    6   36    6 o   86.629   25.943   29.851   11.326   0.0000   0.0000   29.851   11.326  ?   ?    86.629   25.943      ?      ? 
1 1 1    6   36    7 o   77.446   26.289   25.202   11.355   0.0000   0.0000   25.202   11.355  ?   ?    77.446   26.289      ?      ? 
1 1 1    6   36    8 o   39.631   12.712   0.3947   5.1955   3.0107   6.5054  -4.2127   8.6333   41.721   18.077   37.542   17.877 4.179523 25.42412 
1 1 1    7    0    1 o   59.559   5.7238   8.7435   2.1356   8.7435   2.1356   8.7435   2.1356   59.559   8.0947   59.559   8.0947 -0.000000 0.000000 
1 1 1    7    0    2 o  116.140   7.2876   32.302   5.4927   32.302   5.4927   32.302   5.4927  116.140   10.306  116.140   10.306 -0.000000 0.000000 
1 1 1    7    0    3 o  501.801   22.483  603.648   73.879  603.648   73.879  603.648   73.879  501.801   31.795  501.801   31.795 -0.000000 0.000000 
1 1 1    7    0    4 o  474.562   26.523  546.411   81.996  546.411   81.996  546.411   81.996  474.562   37.510  474.562   37.510 -0.000000 0.000000 
1 1 1    7    0    5 o  445.900   25.010  481.929   72.640  481.929   72.640  481.929   72.640  445.900   35.369  445.900   35.369 -0.000000 0.000000 
1 1 1    7    0    6 o  328.645   18.090  259.607   38.745  259.607   38.745  259.607   38.745  328.645   25.583  328.645   25.583 -0.000000 0.000000 
1 1 1    7    0    7 o  133.985   15.055   45.287   12.324   45.287   12.324   45.287   12.324  133.985   21.291  133.985   21.291 -0.000000 0.000000 
1 1 1    7    0    8 o  254.124   22.577  160.377   36.296  160.377   36.296  160.377   36.296  254.124   31.928  254.124   31.928 -0.000000 0.000000 
1 1 1    7    0    9 o  385.823   22.020  359.971   55.309  359.971   55.309  359.971   55.309  385.823   31.140  385.823   31.140 -0.000000 0.000000 
1 1 1    7    0   10 o  269.430   12.980  172.803   22.868  172.803   22.868  172.803   22.868  269.430   18.357  269.430   18.357 -0.000000 0.000000 
1 1 1    7    0   11 o  769.042   35.156  1444.37  176.980  1444.37  176.980  1444.37  176.980  769.042   49.718  769.042   49.718 -0.000000 0.000000 
1 1 1    7    0   12 f  124.016   9.7044   37.324   7.7055   37.324   7.7055   37.324   7.7055  124.016   13.724  124.016   13.724 -0.000000 0.000000 
1 1 1    7    0   13 o  130.641   9.9640   41.355   8.3501   41.355   8.3501   41.355   8.3501  130.641   14.091  130.641   14.091 -0.000000 0.000000 
1 1 1    7    0   14 o  113.701   9.5205   31.522   6.8905   31.522   6.8905   31.522   6.8905  113.701   13.464  113.701   13.464 -0.000000 0.000000 
1 1 1    7    0   15 f  484.930   26.190  566.601   82.814  566.601   82.814  566.601   82.814  484.930   37.038  484.930   37.038 -0.000000 0.000000 
1 1 1    7    0   16 o  460.575   25.353  509.876   76.100  509.876   76.100  509.876   76.100  460.575   35.854  460.575   35.854 -0.000000 0.000000 
1 1 1    7    0   17 o  352.683   19.887  297.836   45.678  297.836   45.678  297.836   45.678  352.683   28.124  352.683   28.124 -0.000000 0.000000 
1 1 1    7    0   18 o  126.832   10.054   39.036   8.1561   39.036   8.1561   39.036   8.1561  126.832   14.219  126.832   14.219 -0.000000 0.000000 
1 1 1    7    0   19 o  169.001   11.437   68.671   12.506   68.671   12.506   68.671   12.506  169.001   16.174  169.001   16.174 -0.000000 0.000000 
1 1 1    7    0   20 o  322.850   18.411  249.382   38.697  249.382   38.697  249.382   38.697  322.850   26.037  322.850   26.037 -0.000000 0.000000 
1 1 1    7    0   21 o  978.185   85.026  2540.83  527.439  2540.83  527.439  2540.83  527.439  978.185  120.245  978.185  120.245 -0.000000 0.000000 
1 1 1    7    0   22 o  194.646   12.434   90.867   15.696   90.867   15.696   90.867   15.696  194.646   17.584  194.646   17.584 -0.000000 0.000000 
1 1 1    7    0   23 o   83.036   11.569   17.891   5.6473   17.891   5.6473   17.891   5.6473   83.036   16.361   83.036   16.361 -0.000000 0.000000 
1 1 1    7    0   24 o  356.462   20.185  304.294   46.854  304.294   46.854  304.294   46.854  356.462   28.546  356.462   28.546 -0.000000 0.000000 
1 1 1    7    0   25 o   75.182   21.768   18.551   10.667   18.551   10.667   18.551   10.667   75.182   30.785   75.182   30.785 -0.000000 0.000000 
1 1 1    7    0   27 o  673.839   57.037  1167.79  244.395  1167.79  244.395  1167.79  244.395  673.839   80.662  673.839   80.662 -0.000000 0.000000 
1 1 1    7    0   28 o  930.320   84.719  2393.69  497.176  2393.69  497.176  2393.69  497.176  930.320  119.811  930.320  119.811 -0.000000 0.000000 
1 1 1    7    0   29 o  403.412   22.936  391.737   60.245  391.737   60.245  391.737   60.245  403.412   32.436  403.412   32.436 -0.000000 0.000000 
1 1 1    7    0   30 o  773.664   43.604  1484.25  219.706  1484.25  219.706  1484.25  219.706  773.664   61.665  773.664   61.665 -0.000000 0.000000 
1 1 1    7    0   31 o  101.358   15.270   27.128   8.9899   27.128   8.9899   27.128   8.9899  101.358   21.595  101.358   21.595 -0.000000 0.000000 
1 1 1    7    0   32 o   74.998   17.640   16.948   7.7857   16.948   7.7857   16.948   7.7857   74.998   24.947   74.998   24.947 -0.000000 0.000000 
1 1 1    7    0   33 o  234.898   12.465  131.646   19.101  131.646   19.101  131.646   19.101  234.898   17.628  234.898   17.628 -0.000000 0.000000 
1 1 1    7    0   34 o  130.284   9.4974   41.008   7.9790   41.008   7.9790   41.008   7.9790  130.284   13.431  130.284   13.431 -0.000000 0.000000 
1 1 1    7    0   35 o  270.412   12.641  173.999   22.366  173.999   22.366  173.999   22.366  270.412   17.877  270.412   17.877 -0.000000 0.000000 
1 1 1    7    0   36 o  308.241   18.229  229.873   36.539  229.873   36.539  229.873   36.539  308.241   25.779  308.241   25.779 -0.000000 0.000000 
1 1 1    7    0   37 o   64.342   15.046   12.471   5.6876   12.471   5.6876   12.471   5.6876   64.342   21.278   64.342   21.278 -0.000000 0.000000 
1 1 1    7    0   38 o   64.645   15.515   12.726   5.9386   12.726   5.9386   12.726   5.9386   64.645   21.941   64.645   21.941 -0.000000 0.000000 
1 1 1    7    0   39 o  148.361   9.8159   53.027   9.4315   53.027   9.4315   53.027   9.4315  148.361   13.882  148.361   13.882 -0.000000 0.000000 
1 1 1    7    0   40 o   43.301   16.480   6.3496   6.5281   6.3496   6.5281   6.3496   6.5281   43.301   23.306   43.301   23.306 -0.000000 0.000000 
1 1 1    7    0   41 o   52.822   17.519   9.7145   6.8566   9.7145   6.8566   9.7145   6.8566   52.822   24.776   52.822   24.776 -0.000000 0.000000 
1 1 1    7    0   42 o  215.804   22.226  119.218   29.738  119.218   29.738  119.218   29.738  215.804   31.432  215.804   31.432 -0.000000 0.000000 
1 1 1    7    0   43 o  192.669   20.826   95.218   24.679   95.218   24.679   95.218   24.679  192.669   29.452  192.669   29.452 -0.000000 0.000000 
1 1 1    7    0   44 o   29.855   13.442   0.6476   5.8362   0.6476   5.8362   0.6476   5.8362   29.855   19.009   29.855   19.009 -0.000000 0.000000 
1 1 1    7    0   45 o   32.712   13.329   3.2073   4.6342   3.2073   4.6342   3.2073   4.6342   32.712   18.851   32.712   18.851 -0.000000 0.000000 
1 1 1    7    0   46 o  203.014   10.969   99.193   14.520   99.193   14.520   99.193   14.520  203.014   15.512  203.014   15.512 -0.000000 0.000000 
1 1 1    7    0   47 o  178.306   10.276   76.692   11.925   76.692   11.925   76.692   11.925  178.306   14.532  178.306   14.532 -0.000000 0.000000 
1 1 1    7    0   48 o   16.548   8.4319  -8.2085   4.6118  -8.2085   4.6118  -8.2085   4.6118   16.548   11.925   16.548   11.925 -0.000000 0.000000 
1 1 1    7    0   49 o   33.022   14.342   2.2289   6.0461   2.2289   6.0461   2.2289   6.0461   33.022   20.282   33.022   20.282 -0.000000 0.000000 
1 1 1    7    0   50 o   98.330   14.568   25.885   8.3402   25.885   8.3402   25.885   8.3402   98.330   20.603   98.330   20.603 -0.000000 0.000000 
1 1 1    7    0   51 o   79.087   14.277   17.522   6.4514   17.522   6.4514   17.522   6.4514   79.087   20.190   79.087   20.190 -0.000000 0.000000 
1 1 1    7    0   52 o   29.930   13.367   1.0557   5.6400   1.0557   5.6400   1.0557   5.6400   29.930   18.903   29.930   18.903 -0.000000 0.000000 
1 1 1    7    0   53 o   87.955   13.728   20.890   6.9803   20.890   6.9803   20.890   6.9803   87.955   19.414   87.955   19.414 -0.000000 0.000000 
1 1 1    7    0   54 o  264.911   12.961  170.557   22.444  170.557   22.444  170.557   22.444  264.911   18.330  264.911   18.330 -0.000000 0.000000 
1 1 1    7    0   55 o   31.433   13.616   2.1498   5.4180   2.1498   5.4180   2.1498   5.4180   31.433   19.256   31.433   19.256 -0.000000 0.000000 
1 1 1    7    0   56 o   37.956   16.154   3.7899   7.3449   3.7899   7.3449   3.7899   7.3449   37.956   22.845   37.956   22.845 -0.000000 0.000000 
1 1 1    7    0   57 o   68.215   24.360   17.975   13.617   17.975   13.617   17.975   13.617   68.215   34.451   68.215   34.451 -0.000000 0.000000 
1 1 1    7    0   59 o   23.670   11.944 -11.6271   8.3581 -11.6271   8.3581 -11.6271   8.3581   23.670   16.892   23.670   16.892 -0.000000 0.000000 
1 1 1    7    0   60 o   94.792   15.314   24.961   8.3588   24.961   8.3588   24.961   8.3588   94.792   21.657   94.792   21.657 -0.000000 0.000000 
1 1 1    7    0   61 o  147.102   11.684   54.209   10.991   54.209   10.991   54.209   10.991  147.102   16.524  147.102   16.524 -0.000000 0.000000 
1 1 1    7    0   62 o   37.143   15.983   3.7551   7.3537   3.7551   7.3537   3.7551   7.3537   37.143   22.603   37.143   22.603 -0.000000 0.000000 
1 1 1    7    0   63 o   88.372   17.223   23.285   8.6995   23.285   8.6995   23.285   8.6995   88.372   24.357   88.372   24.357 -0.000000 0.000000 
1 1 1    7    0   64 o   42.578   16.929   6.6452   7.2253   6.6452   7.2253   6.6452   7.2253   42.578   23.942   42.578   23.942 -0.000000 0.000000 
1 1 1    7    0   65 o   51.669   20.505   11.097   10.573   11.097   10.573   11.097   10.573   51.669   28.999   51.669   28.999 -0.000000 0.000000 
1 1 1    7    0   66 o   52.949   20.402   11.606   10.121   11.606   10.121   11.606   10.121   52.949   28.853   52.949   28.853 -0.000000 0.000000 
1 1 1    7    0   67 o   38.278   17.336   3.3900   9.8859   3.3900   9.8859   3.3900   9.8859   38.278   24.517   38.278   24.517 -0.000000 0.000000 
1 1 1    7    0   68 o   74.664   19.036   19.859   8.6072   19.859   8.6072   19.859   8.6072   74.664   26.921   74.664   26.921 -0.000000 0.000000 
1 1 1    7    0   69 o   23.086   11.615  -8.5920   7.6823  -8.5920   7.6823  -8.5920   7.6823   23.086   16.425   23.086   16.425 -0.000000 0.000000 
1 1 1    7    0   70 o   78.778   27.263   33.262   16.814   33.262   16.814   33.262   16.814   78.778   38.556   78.778   38.556 -0.000000 0.000000 
1 1 1    7    1    0 o   94.796   6.8776   21.681   4.2051   21.681   4.2051   21.681   4.2051   94.796   9.7264   94.796   9.7264 -0.000000 0.000000 
1 1 1    7    1    1 o  339.708   15.305  273.174   24.296  277.858   34.363  268.492   34.358  342.657   21.458  336.759   21.831 5.898438 30.61067 
1 1 1    7    1    2 o  104.203   6.8788   25.456   3.3465   26.833   4.7378   24.085   4.7274  107.024   9.4723  101.383   9.9774 5.641556 13.75767 
1 1 1    7    1    3 o  417.803   16.924  411.665   32.796  392.491   43.381  437.239   50.102  406.834   22.816  428.772   25.002 -21.93832 33.84817 
1 1 1    7    1    4 o  103.308   7.5301   24.889   3.5609   24.379   4.5726   25.673   5.6764  102.004   9.5919  104.611   11.610 -2.606651 15.06012 
1 1 1    7    1    5 o  252.161   12.920  148.784   14.973  143.004   19.321  157.473   23.689  246.291   16.786  258.031   19.644 -11.74051 25.83930 
1 1 1    7    1    6 o  215.822   11.364  107.808   11.303   98.641   14.591  121.561   17.872  204.652   15.256  226.993   16.847 -22.34097 22.72785 
1 1 1    7    1    7 o  326.955   22.590  256.629   32.624  252.278   39.964  265.323   56.486  324.645   26.340  329.266   36.707 -4.620697 45.17984 
1 1 1    7    1    8 o  288.812   21.050  203.848   26.519  209.695   32.482  192.163   45.922  296.754   23.421  280.870   34.984 15.88397 42.10058 
1 1 1    7    1    9 o   84.308   7.2670   16.310   2.8300   19.148   4.4321   14.356   3.6772   90.362   10.495   78.253   10.055 12.10870 14.53406 
1 1 1    7    1   10 o  185.669   10.591   82.001   8.9511   76.691   14.122   85.567   11.573  180.439   16.746  190.899   12.972 -10.45999 21.18238 
1 1 1    7    1   11 o  596.220   26.306  865.494   72.681  740.389  102.773  990.661  102.799  551.314   39.888  641.127   34.308 -89.81256 52.61274 
1 1 1    7    1   12 o  421.783   20.252  418.364   39.332  460.059   62.208  390.595   50.768  438.491   30.356  405.075   26.817 33.41638 40.50483 
1 1 1    7    1   13 o  375.897   20.595  337.959   36.108  362.190   51.072  313.742   51.057  389.685   28.043  362.109   30.170 27.57562 41.19038 
1 1 1    7    1   14 o  182.627   11.250   78.460   9.5923   82.654   13.578   74.282   13.553  187.531   15.493  177.724   16.317 9.806595 22.50062 
1 1 1    7    1   15 o  540.416   29.236  705.766   73.828  691.657  104.409  719.874  104.409  534.830   41.771  546.002   40.917 -11.17200 58.47236 
1 1 1    7    1   16 f  288.782   16.250  196.590   21.930  199.383   31.020  193.800   31.007  290.850   22.821  286.714   23.140 4.136017 32.50034 
1 1 1    7    1   17 o  947.083   51.384  2262.60  226.919  2099.36  320.907  2425.84  320.918  910.204   75.439  983.962   69.787 -73.75787 102.7681 
1 1 1    7    1   18 o  584.784   31.244  822.088   85.181  757.393  120.457  886.798  120.471  561.110   45.935  608.458   42.365 -47.34747 62.48868 
1 1 1    7    1   19 o  448.661   23.839  480.893   49.446  561.213   69.947  400.669   69.906  486.941   30.736  410.380   36.449 76.56134 47.67853 
1 1 1    7    1   20 o  469.466   25.153  524.127   55.156  503.899   77.996  544.360   78.007  460.246   36.261  478.686   34.869 -18.43985 50.30639 
1 1 1    7    1   21 o  393.035   21.294  366.001   39.029  393.744   55.204  338.277   55.186  408.133   28.942  377.938   31.244 30.19528 42.58870 
1 1 1    7    1   22 o  535.741   28.697  686.210   71.852  686.488  101.618  685.931  101.612  535.851   40.577  535.630   40.592 0.2214966 57.39495 
1 1 1    7    1   23 o  684.108   46.311  1155.46  139.460  1176.72  241.550  1144.83  170.803  682.094   75.774  686.122   53.266 -4.028320 92.62262 
1 1 1    7    1   24 o  564.466   38.576  788.496   94.824  740.885  164.270  812.288  116.125  546.971   64.262  581.961   42.696 -34.99011 77.15261 
1 1 1    7    1   25 o  249.868   20.747  148.870   23.848  180.606   33.977  118.056   33.480  276.628   26.281  223.109   32.109 53.51944 41.49303 
1 1 1    7    1   27 o  505.314   56.928  634.564  134.441  634.564  134.441   0.0000   0.0000  505.314   56.928  ?   ?       ?      ? 
1 1 1    7    1   28 o  646.974   39.953  977.175  116.121  1297.06  201.169  817.334  142.204  718.910   59.875  575.037   52.914 143.8737 79.90559 
1 1 1    7    1   29 o  160.004   11.735   63.949   8.2044   75.225   10.559   46.772   13.033  179.118   12.614  140.890   19.793 38.22787 23.47070 
1 1 1    7    1   30 o  133.426   10.179   40.669   6.1991   36.934   7.8240   46.966   10.160  125.465   13.343  141.387   15.377 -15.92280 20.35895 
1 1 1    7    1   31 o  142.644   10.338   46.771   6.7586   42.976   8.6136   52.851   10.902  135.322   13.620  149.967   15.555 -14.64496 20.67511 
1 1 1    7    1   32 o  419.147   21.530  425.545   40.968  445.963   52.861  394.836   64.828  433.164   26.112  405.131   34.239 28.03375 43.05994 
1 1 1    7    1   33 o  231.036   12.871  126.261   13.566  127.654   17.447  124.131   21.573  232.891   16.030  229.182   20.141 3.708847 25.74166 
1 1 1    7    1   34 o  376.010   18.851  337.648   32.391  340.686   41.785  333.072   51.272  378.921   23.596  373.100   29.404 5.821259 37.70114 
1 1 1    7    1   35 o  283.713   14.858  191.899   19.238  195.562   24.821  186.387   30.447  287.605   18.467  279.820   23.282 7.785034 29.71644 
1 1 1    7    1   36 o  311.899   21.098  236.486   26.533  236.493   30.658  236.464   52.959  315.030   20.823  308.769   36.700 6.260712 42.19558 
1 1 1    7    1   37 o  144.262   10.542   50.150   6.9345   43.587   10.610   55.044   9.1626  135.655   16.735  152.870   12.825 -17.21501 21.08396 
1 1 1    7    1   38 o  154.967   11.501   57.274   8.0307   58.485   10.160   55.258   13.111  157.450   13.807  152.484   18.397 4.966949 23.00212 
1 1 1    7    1   39 o  115.687   11.867   31.753   6.4135   32.034   8.9658   31.458   9.1782  116.240   16.504  115.134   17.057 1.106522 23.73466 
1 1 1    7    1   40 o   85.720   12.212   19.178   4.6919   24.640   6.1620   11.643   7.2378  102.180   12.904   69.259   20.737 32.92139 24.42430 
1 1 1    7    1   41 o  243.603   17.669  140.141   19.109  159.559   33.428  130.715   23.290  254.385   28.117  232.821   21.404 21.56374 35.33729 
1 1 1    7    1   42 o  494.621   39.639  703.592   85.564  726.736  148.316  692.047  104.753  482.257   65.806  506.985   44.211 -24.72800 79.27847 
1 1 1    7    1   43 f   78.675   17.624   14.036   7.8152   5.6705   10.943   22.742   11.165   62.736   24.941   94.613   24.908 -31.87716 35.24879 
1 1 1    7    1   44 o  133.338   11.409   42.500   7.1071   41.164   10.028   43.848   10.074  131.191   16.355  135.484   15.911 -4.292221 22.81758 
1 1 1    7    1   45 o  297.314   15.567  216.421   21.164  214.097   33.405  217.979   27.354  294.575   24.265  300.054   19.507 -5.479553 31.13339 
1 1 1    7    1   46 o   88.091   10.776   18.855   4.3449   18.634   6.2096   19.067   6.0816   86.867   15.881   89.315   14.570 -2.448174 21.55174 
1 1 1    7    1   47 o  205.370   17.205  112.486   13.700   91.920   27.061  119.574   15.887  187.685   30.851  223.056   15.240 -35.37122 34.40966 
1 1 1    7    1   48 o  178.078   10.333   76.084   8.5688   68.381   12.058   83.944   12.179  168.751   15.289  187.406   13.906 -18.65511 20.66693 
1 1 1    7    1   49 o  109.420   10.252   28.972   5.1866   24.881   7.4678   32.783   7.2090  101.645   15.720  117.195   13.162 -15.55064 20.50299 
1 1 1    7    1   50 o   76.910   12.083   15.118   4.4495   8.1953   6.3781   21.681   6.2104   58.829   19.704   94.991   13.989 -36.16243 24.16504 
1 1 1    7    1   51 o   51.552   12.445   5.5376   3.9064   9.4352   5.3824   1.1999   5.6783   61.341   17.757   41.763   17.440 19.57795 24.88956 
1 1 1    7    1   52 o  176.118   11.784   76.645   9.4363   81.698   12.293   69.398   14.723  184.221   14.278  168.014   18.750 16.20738 23.56802 
1 1 1    7    1   53 o  163.513   10.109   64.346   7.7249   63.907   10.908   64.788   10.941  162.944   14.324  164.082   14.268 -1.138046 20.21762 
1 1 1    7    1   54 o  124.072   11.171   36.103   6.3311   27.286   8.2103   49.036   9.9437  105.777   16.608  142.367   14.945 -36.59087 22.34248 
1 1 1    7    1   55 o  209.279   13.026  108.918   12.491  110.512   16.256  106.619   19.520  212.417   16.375  206.142   20.262 6.274292 26.05116 
1 1 1    7    1   56 o   63.296   16.819   8.0047   5.8834   7.4617   6.6636   9.9251   12.531   57.072   20.104   69.520   26.971 -12.44762 33.63872 
1 1 1    7    1   57 o   85.740   19.798   20.194   9.3906   24.946   12.601   14.258   14.084   94.781   27.091   76.698   28.879 18.08213 39.59667 
1 1 1    7    1   58 o  120.485   29.092   41.451   16.196   0.0000   0.0000   41.451   16.196  ?   ?   120.485   29.092      ?      ? 
1 1 1    7    1   59 o   70.827   17.927   10.078   8.9928   22.491   11.891  -6.5118   13.746   89.420   26.536   52.233   24.111 37.18701 35.85407 
1 1 1    7    1   60 o   82.862   16.480   17.634   6.9946   9.7611   9.1917   28.465   10.781   63.751   23.459  101.973   23.151 -38.22120 32.95916 
1 1 1    7    1   61 o   68.100   15.216   12.541   5.5295   14.796   7.1697   9.2296   8.6866   74.234   20.150   61.967   22.805 12.26741 30.43150 
1 1 1    7    1   62 o   75.108   15.176   15.342   5.4924   14.130   7.0259   17.247   8.8075   71.953   20.112   78.263   22.732 -6.310524 30.35233 
1 1 1    7    1   63 o   67.103   17.345   7.2476   6.2291   2.9015   7.0134   23.485   13.556   46.948   19.475   87.257   28.708 -40.30937 34.69043 
1 1 1    7    1   64 o   55.959   13.776   6.3532   5.4094   14.323   7.1127  -4.5807   8.3310   71.732   20.302   40.186   18.628 31.54572 27.55278 
1 1 1    7    1   65 o   47.852   14.709   1.8344   5.9829   0.1393   7.6413   4.5201   9.6181   43.091   19.101   52.612   22.373 -9.521065 29.41707 
1 1 1    7    1   66 o   83.030   16.942   20.454   6.7518   18.599   8.4724   23.682   11.177   79.451   22.043   86.610   25.734 -7.158897 33.88356 
1 1 1    7    1   67 o   69.745   15.125   12.602   5.8346   4.8684   7.3442   25.835   9.6069   48.550   20.016   90.941   22.680 -42.39154 30.24952 
1 1 1    7    1   68 o   48.073   15.228   2.7371   5.9427   2.4370   6.6508   3.9256   13.236   42.785   18.408   53.360   24.264 -10.57533 30.45654 
1 1 1    7    1   69 o   56.099   15.471   9.3131   5.7101   7.8720   7.2339   11.695   9.3007   52.500   20.458   59.699   23.215 -7.199287 30.94256 
1 1 1    7    1   70 o   48.965   15.509   4.1913   6.2494   3.4488   7.0313   6.9839   13.635   43.927   18.913   54.004   24.584 -10.07715 31.01751 
1 1 1    7    2    0 o  229.995   13.879  126.951   20.745  126.951   20.745  126.951   20.745  229.995   19.628  229.995   19.628 -0.000000 0.000000 
1 1 1    7    2    1 o  137.221   8.4821   45.082   5.0699   46.806   6.2082   41.632   8.7848  141.348   9.3979  133.094   14.123 8.253586 16.96411 
1 1 1    7    2    2 o  244.037   13.256  142.319   14.703  148.759   18.975  132.645   23.259  251.350   16.153  236.723   21.024 14.62657 26.51272 
1 1 1    7    2    3 o  218.930   11.786  113.018   11.806  113.296   15.233  112.599   18.682  219.457   14.852  218.403   18.303 1.053848 23.57112 
1 1 1    7    2    4 o  122.647   7.3138   35.271   4.1922   35.104   5.9269   35.439   5.9304  122.356   10.365  122.939   10.322 -0.5829773 14.62765 
1 1 1    7    2    5 o  359.040   15.840  306.823   26.516  282.826   37.496  330.826   37.501  344.738   23.273  373.342   21.493 -28.60477 31.67944 
1 1 1    7    2    6 o  367.316   17.767  321.026   28.780  318.547   35.253  325.979   49.835  366.506   20.581  368.126   28.967 -1.619446 35.53381 
1 1 1    7    2    7 o  327.171   20.676  261.162   27.085  264.789   31.285  250.310   54.117  334.289   20.025  320.053   36.180 14.23563 41.35196 
1 1 1    7    2    8 o  413.130   25.385  398.709   43.098  380.631   49.754  453.046   86.257  398.926   26.686  427.335   43.190 -28.40967 50.76963 
1 1 1    7    2    9 o  255.930   16.274  147.358   18.671  128.825   22.833  184.764   32.438  233.261   20.945  278.599   24.913 -45.33832 32.54744 
1 1 1    7    2   10 o  480.230   22.685  559.344   49.577  528.802   78.369  579.722   64.013  467.554   35.865  492.907   27.788 -25.35284 45.37062 
1 1 1    7    2   11 o  538.993   23.115  698.404   58.143  740.333   82.227  656.475   82.226  555.638   31.665  522.348   33.683 33.29028 46.22982 
1 1 1    7    2   12 o  126.546   11.128   38.740   5.5932   35.604   11.235   39.773   6.4492  122.820   19.574  130.272   10.593 -7.452477 22.25636 
1 1 1    7    2   13 o  232.786   13.631  128.953   14.621  104.240   20.653  153.778   20.701  210.022   21.042  255.551   17.332 -45.52953 27.26127 
1 1 1    7    2   14 o  363.734   19.752  316.871   33.174  372.479   46.933  261.345   46.899  396.419   25.333  331.048   30.313 65.37173 39.50460 
1 1 1    7    2   15 o  320.477   17.556  242.968   26.249  226.595   37.118  259.348   37.125  309.543   25.658  331.410   23.970 -21.86743 35.11203 
1 1 1    7    2   16 o  408.023   27.350  396.958   49.189  402.174   85.199  394.350   60.244  408.460   44.631  407.586   31.626 0.8748779 54.70086 
1 1 1    7    2   17 o  421.110   22.903  420.697   45.074  423.214   63.748  418.180   63.740  422.388   32.293  419.832   32.486 2.556732 45.80609 
1 1 1    7    2   18 o  723.668   36.247  1277.13  121.076  1499.93  171.251  1054.44  171.205  789.525   46.411  657.812   55.689 131.7134 72.49359 
1 1 1    7    2   19 o  892.171   46.588  1980.50  192.286  1674.30  271.914  2286.79  271.952  818.727   71.064  965.615   60.262 -146.8875 93.17542 
1 1 1    7    2   20 o  176.528   11.303   73.123   9.3160   69.541   13.187   76.692   13.163  172.193   16.386  180.863   15.573 -8.669098 22.60567 
1 1 1    7    2   21 o  768.453   41.293  1445.16  148.296  1439.02  209.723  1451.30  209.723  766.744   58.527  770.163   58.267 -3.419067 82.58551 
1 1 1    7    2   22 o  392.719   21.229  368.897   38.293  446.873   54.199  291.178   54.109  435.130   26.652  350.307   33.051 84.82242 42.45792 
1 1 1    7    2   23 o  435.735   23.403  453.267   47.211  382.805   66.734  523.869   66.800  401.102   35.600  470.367   30.388 -69.26437 46.80547 
1 1 1    7    2   24 o  374.927   24.036  318.243   40.418  390.282   69.974  282.175   49.513  404.697   36.997  345.157   30.694 59.54019 48.07199 
1 1 1    7    2   25 o  874.450  105.824  2079.84  432.475  2079.84  432.475   0.0000   0.0000  874.450  105.824  ?   ?       ?      ? 
1 1 1    7    2   27 o  901.190   71.320  2091.06  300.378  2091.06  300.378   0.0000   0.0000  901.190   71.320  ?   ?       ?      ? 
1 1 1    7    2   28 o  540.657   38.067  737.888   89.264  765.860  109.317  681.920  154.632  562.510   41.583  518.805   63.775 43.70544 76.13423 
1 1 1    7    2   29 o  176.072   10.588   72.029   8.6073   68.188   11.207   77.553   13.440  170.459   14.068  181.684   15.828 -11.22485 21.17646 
1 1 1    7    2   30 o  280.811   16.580  186.937   21.707  200.863   30.624  172.873   30.775  291.484   22.480  270.138   24.376 21.34534 33.15949 
1 1 1    7    2   31 o  325.613   16.625  252.524   24.692  258.529   31.867  243.502   39.062  330.972   20.602  320.254   26.099 10.71829 33.25006 
1 1 1    7    2   32 o  274.707   13.661  173.756   17.293  153.285   22.297  204.656   27.394  254.972   18.712  294.442   19.908 -39.46977 27.32118 
1 1 1    7    2   33 o  326.907   17.885  260.632   26.318  283.167   33.947  226.683   41.666  345.968   20.995  307.847   28.961 38.12125 35.77025 
1 1 1    7    2   34 o  261.642   14.039  161.589   16.797  161.025   21.618  162.448   26.683  261.360   17.699  261.924   21.798 -0.5636902 28.07857 
1 1 1    7    2   35 o  455.329   21.424  489.565   44.962  436.223   58.011  569.820   71.156  425.499   29.172  485.160   31.382 -59.66180 42.84702 
1 1 1    7    2   36 o  209.578   12.244  104.994   11.683  108.524   15.072   99.680   18.491  214.383   15.044  204.772   19.322 9.611237 24.48759 
1 1 1    7    2   37 o  247.348   14.762  146.015   17.058  151.211   24.217  140.899   24.031  251.788   20.580  242.908   21.168 8.879395 29.52310 
1 1 1    7    2   38 o  185.934   11.505   81.716   9.7924   81.113   12.617   82.629   15.529  185.317   14.568  186.550   17.811 -1.233170 23.01038 
1 1 1    7    2   39 f  453.482   25.539  514.768   54.070  489.643   76.465  539.893   76.468  441.627   37.048  465.336   35.162 -23.70908 51.07724 
1 1 1    7    2   40 o  283.486   19.325  194.765   22.184  193.210   25.642  199.392   44.233  284.344   19.296  282.628   33.488 1.715759 38.64920 
1 1 1    7    2   41 o  206.512   12.299  104.052   11.480   91.558   18.056  112.529   14.873  195.233   19.789  217.791   14.612 -22.55827 24.59887 
1 1 1    7    2   42 o  206.064   16.621  103.099   15.274  104.880   25.807  102.139   18.949  206.154   26.786  205.973   19.685 0.1804962 33.24137 
1 1 1    7    2   43 o  223.685   30.692  125.844   32.085   0.0000   0.0000  125.844   32.085  ?   ?   223.685   30.692      ?      ? 
1 1 1    7    2   44 o  219.675   13.430  116.816   13.633   96.111   19.070  138.455   19.496  199.128   20.492  240.221   17.365 -41.09274 26.86042 
1 1 1    7    2   45 o   68.814   11.489   11.448   4.0810   19.159   5.8056   3.9170   5.7377   89.725   13.845   47.903   18.338 41.82193 22.97756 
1 1 1    7    2   46 o  237.340   14.553  137.804   16.133  133.139   22.888  142.411   22.744  233.126   21.007  241.555   20.147 -8.428589 29.10673 
1 1 1    7    2   47 o   63.826   15.890   9.3021   5.7011   10.323   6.8387   6.9758   10.322   64.834   20.303   62.817   24.449 2.017231 31.77968 
1 1 1    7    2   48 o   76.709   12.457   13.540   4.6733   6.7065   6.0952   23.286   7.2794   55.028   19.237   98.390   15.831 -43.36204 24.91359 
1 1 1    7    2   49 o  125.076   10.853   38.822   6.1110   31.858   9.4434   43.840   8.0156  114.540   17.641  135.611   12.647 -21.07151 21.70645 
1 1 1    7    2   50 o  107.481   12.222   29.668   5.6982   23.916   8.9591   33.576   7.3843   96.634   20.474  118.329   13.353 -21.69521 24.44372 
1 1 1    7    2   51 o  200.335   10.672   97.026   9.9824   91.975   14.069  102.146   14.166  194.927   15.444  205.744   14.732 -10.81740 21.34370 
1 1 1    7    2   52 o  122.452   12.964   37.634   7.0113   27.177   9.7743   48.717   10.063  102.917   21.032  141.987   15.165 -39.07065 25.92896 
1 1 1    7    2   53 o   90.739   12.874   19.973   5.3375   14.989   7.0260   26.774   8.2077   76.554   19.565  104.924   16.738 -28.36932 25.74752 
1 1 1    7    2   54 o  116.197   12.593   33.181   6.8382   33.170   9.7165   33.191   9.6255  116.150   17.900  116.244   17.718 -0.9423065E-01 25.18578 
1 1 1    7    2   55 o  187.477   18.449   96.130   14.363  104.102   17.761   81.063   24.418  204.924   18.545  170.030   31.900 34.89388 36.89878 
1 1 1    7    2   56 o   75.691   28.285   13.420   13.461   13.420   13.461   0.0000   0.0000   75.691   28.285  ?   ?       ?      ? 
1 1 1    7    2   57 o  246.366   23.318  157.729   26.848   0.0000   0.0000  157.729   26.848  ?   ?   246.366   23.318      ?      ? 
1 1 1    7    2   58 o   79.580   22.082   16.939   8.5017   0.0000   0.0000   16.939   8.5017  ?   ?    79.580   22.082      ?      ? 
1 1 1    7    2   59 o  102.839   19.419   29.346   9.2522   33.979   15.322   26.687   11.607  107.771   29.541   97.906   25.214 9.864815 38.83893 
1 1 1    7    2   60 o   74.579   16.119   15.342   6.1779   17.186   7.8403   12.321   10.034   79.941   20.790   69.217   24.638 10.72436 32.23750 
1 1 1    7    2   61 o  130.402   12.534   41.839   7.4653   37.211   9.4263   49.625   12.227  121.680   16.576  139.124   18.804 -17.44383 25.06737 
1 1 1    7    2   62 o  122.796   17.467   39.424   9.1159   32.701   10.894   55.125   16.648  108.548   22.223  137.044   26.953 -28.49587 34.93353 
1 1 1    7    2   63 o  170.780   16.188   81.669   12.071  101.047   16.774   60.860   17.383  197.401   18.183  144.159   26.787 53.24237 32.37523 
1 1 1    7    2   64 f   59.274   15.330   9.2231   6.0627   13.136   6.7420  -7.3116   13.860   68.844   19.858   49.703   23.360 19.14132 30.66014 
1 1 1    7    2   65 o   58.704   14.265   7.2749   5.9552   17.641   8.0402  -5.3242   8.8637   77.350   21.478   40.058   18.780 37.29187 28.53073 
1 1 1    7    2   66 o   39.286   12.682  -6.1998   5.6766   3.0805   7.8882 -16.1677   8.1752   47.910   20.312   30.662   15.191 17.24818 25.36478 
1 1 1    7    2   67 o   48.292   14.643   2.0959   5.9282  -2.4428   7.5813   9.2382   9.5105   38.945   17.953   57.639   23.138 -18.69341 29.28551 
1 1 1    7    2   68 o   62.252   15.592   12.617   5.7605   14.100   6.9984   9.5003   10.144   67.305   20.446   57.200   23.546 10.10461 31.18425 
1 1 1    7    2   69 o   52.591   15.800   5.5515   6.0990   2.7381   7.1473   13.087   11.698   43.670   18.935   61.512   25.299 -17.84149 31.59998 
1 1 1    7    2   70 o   52.109   15.272   7.4941   6.8589   12.295   7.8448  -8.0869   14.132   60.135   21.741   44.082   21.453 16.05259 30.54332 
1 1 1    7    3    0 o   80.555   8.7285   16.227   4.3230   16.227   4.3230   16.227   4.3230   80.555   12.344   80.555   12.344 -0.000000 0.000000 
1 1 1    7    3    1 o  485.279   26.919  578.815   60.649  651.978   85.784  505.700   85.756  517.524   35.468  453.034   40.503 64.49033 53.83762 
1 1 1    7    3    2 o  148.819   11.912   54.543   7.6234   58.872   9.3565   45.993   13.148  158.299   12.647  139.338   20.191 18.96135 23.82499 
1 1 1    7    3    3 o  650.834   60.821  1242.32  184.957  1218.22  261.602  1266.42  261.536  642.890   87.069  658.778   84.947 -15.88788 121.6429 
1 1 1    7    3    4 o  243.480   16.306  140.280   14.856  139.726   16.616  142.485   33.166  243.624   14.594  243.336   29.164 0.2880859 32.61179 
1 1 1    7    3    5 o  542.673   30.052  707.130   61.375  690.229   68.617  774.766  137.265  536.477   27.368  548.868   53.512 -12.39063 60.10392 
1 1 1    7    3    6 o  393.663   16.952  372.867   30.673  392.640   40.579  346.511   46.849  406.746   21.347  380.579   26.340 26.16666 33.90393 
1 1 1    7    3    7 o  240.647   11.290  136.477   12.692  140.923   17.951  132.032   17.946  244.599   15.704  236.694   16.224 7.904648 22.57901 
1 1 1    7    3    8 o  453.075   34.934  570.425   58.937  624.129   68.055  409.302  117.878  510.715   28.513  395.435   63.784 115.2802 69.86712 
1 1 1    7    3    9 o  344.554   25.097  282.806   38.291  274.179   46.876  300.106   66.383  338.507   29.630  350.600   40.514 -12.09348 50.19300 
1 1 1    7    3   10 o   79.012   7.4889   14.709   2.7506   15.954   3.8179   13.364   3.9660   82.523   9.8994   75.500   11.240 7.022980 14.97782 
1 1 1    7    3   11 o  358.821   18.568  310.340   30.254  325.524   39.052  287.547   47.848  370.782   22.536  346.860   29.517 23.92224 37.13630 
1 1 1    7    3   12 o  396.326   21.508  376.430   39.737  406.637   56.206  346.244   56.186  412.627   29.146  380.025   31.635 32.60205 43.01504 
1 1 1    7    3   13 o  463.535   24.909  516.885   53.922  494.697   76.252  539.079   76.261  453.293   35.994  473.778   34.442 -20.48520 49.81784 
1 1 1    7    3   14 o  252.095   14.481  149.859   17.038  140.885   24.098  158.830   24.092  244.479   21.091  259.711   19.849 -15.23239 28.96229 
1 1 1    7    3   15 o  588.651   30.840  837.255   84.490  751.995  119.474  922.552  119.500  557.655   45.842  619.648   41.265 -61.99298 61.67906 
1 1 1    7    3   16 o  552.081   29.613  731.218   76.337  695.959  107.949  766.486  107.965  538.415   42.900  565.747   40.834 -27.33221 59.22694 
1 1 1    7    3   17 o  256.528   13.267  152.941   15.643  146.237   20.167  163.066   24.784  249.640   17.285  263.417   20.132 -13.77725 26.53474 
1 1 1    7    3   18 o  919.735   46.654  2101.05  195.829  2129.74  252.806  2058.01  309.647  933.513   57.946  905.957   73.133 27.55597 93.30724 
1 1 1    7    3   19 o  379.149   20.533  341.279   36.131  387.309   51.115  295.316   51.078  405.105   26.999  353.192   30.944 51.91306 41.06640 
1 1 1    7    3   20 o  147.955   9.9826   51.302   6.9010   51.745   9.6794   50.845   9.8417  148.609   13.937  147.301   14.296 1.307755 19.96529 
1 1 1    7    3   21 o  440.902   26.115  452.659   47.007  442.104   54.276  484.336   94.030  432.794   26.834  449.010   44.809 -16.21597 52.22973 
1 1 1    7    3   22 o  346.351   15.902  284.951   25.087  294.922   32.389  269.999   39.662  354.297   19.561  338.406   25.078 15.89069 31.80466 
1 1 1    7    3   23 o  507.781   26.539  615.026   62.938  589.089   88.959  641.020   89.056  496.845   38.311  518.717   36.736 -21.87183 53.07810 
1 1 1    7    3   24 o  460.531   25.102  504.586   54.027  501.928   76.378  507.249   76.435  459.298   35.582  461.764   35.418 -2.466095 50.20483 
1 1 1    7    3   25 o  411.923   45.792  409.108   88.155  409.108   88.155   0.0000   0.0000  411.923   45.792  ?   ?       ?      ? 
1 1 1    7    3   27 o  323.122   36.826  250.767   55.611  250.767   55.611   0.0000   0.0000  323.122   36.826  ?   ?       ?      ? 
1 1 1    7    3   28 o  538.934   39.826  765.421   90.421  608.432  156.563  843.992  110.760  486.735   68.826  591.133   40.092 -104.3977 79.65181 
1 1 1    7    3   29 o  350.431   18.311  297.236   29.001  318.952   37.445  264.683   45.845  367.509   21.801  333.353   29.427 34.15591 36.62283 
1 1 1    7    3   30 o  284.792   16.539  191.953   22.012  194.282   31.145  189.628   31.114  286.538   23.257  283.046   23.521 3.492615 33.07795 
1 1 1    7    3   31 o  470.551   28.790  532.704   54.834  527.513   63.317  548.277  109.668  470.490   28.796  470.612   49.863 -0.1224060 57.58022 
1 1 1    7    3   32 o  253.696   13.391  150.691   15.603  145.833   20.128  158.003   24.697  248.813   17.310  258.579   20.436 -9.765305 26.78186 
1 1 1    7    3   33 o  410.670   26.443  411.119   43.642  412.839   50.398  405.963   87.259  416.427   25.896  404.913   46.111 11.51358 52.88527 
1 1 1    7    3   34 o  203.094   11.803   98.514   10.884  103.478   14.044   91.049   17.221  209.805   14.323  196.383   18.764 13.42279 23.60550 
1 1 1    7    3   35 f  127.559   10.065   38.143   5.9008   37.320   7.6405   39.359   9.2888  125.950   12.980  129.168   15.387 -3.218216 20.13086 
1 1 1    7    3   36 o  159.890   10.776   60.593   7.9030   61.480   10.283   59.314   12.352  161.497   13.624  158.283   16.698 3.214035 21.55112 
1 1 1    7    3   37 o  283.261   14.619  189.246   19.047  179.697   24.582  203.592   30.131  274.841   19.138  291.682   22.104 -16.84103 29.23734 
1 1 1    7    3   38 o   97.393   12.757   23.035   5.6609   21.160   8.1935   24.746   7.8302   92.581   19.550  102.205   16.393 -9.624695 25.51342 
1 1 1    7    3   39 o  222.134   12.653  116.771   12.881  114.421   16.588  120.340   20.443  219.692   16.156  224.576   19.478 -4.883240 25.30658 
1 1 1    7    3   40 o   91.494   10.876   19.595   4.4955   17.251   5.7694   23.219   7.1724   84.057   15.248   98.931   15.513 -14.87417 21.75187 
1 1 1    7    3   41 o  175.665   19.648   78.710   15.133  104.486   21.565   53.703   21.241  207.702   22.216  143.628   32.414 64.07458 39.29670 
1 1 1    7    3   42 o  243.067   31.137  148.540   35.371  148.540   35.371   0.0000   0.0000  243.067   31.137  ?   ?       ?      ? 
1 1 1    7    3   43 o  223.317   28.749  124.490   30.005  124.490   30.005   0.0000   0.0000  223.317   28.749  ?   ?       ?      ? 
1 1 1    7    3   44 o  112.050   16.579   32.351   8.5395   22.516   12.491   40.980   11.701   93.829   27.020  130.272   19.218 -36.44273 33.15746 
1 1 1    7    3   45 o  159.077   10.681   59.962   7.8483   63.667   12.198   57.345   10.252  163.020   16.010  155.134   14.141 7.885269 21.36101 
1 1 1    7    3   46 o  116.326   11.097   32.628   5.9583   31.621   9.0837   33.389   7.8937  114.475   16.979  118.177   14.292 -3.702118 22.19356 
1 1 1    7    3   47 o  263.391   12.749  169.089   15.600  147.717   21.954  190.883   22.170  245.908   19.103  280.873   16.889 -34.96419 25.49824 
1 1 1    7    3   48 o   54.778   12.811   6.8544   4.0066   9.6864   5.3875   3.3499   5.9932   62.390   17.673   47.167   18.550 15.22374 25.62130 
1 1 1    7    3   49 o  196.640   10.773   93.108   9.8982   91.183   14.031   95.015   13.966  194.542   15.432  198.739   15.036 -4.197311 21.54623 
1 1 1    7    3   50 f   73.559   14.077   13.840   4.9636   14.814   7.0553   12.885   6.9844   76.039   19.696   71.079   20.118 4.960480 28.15442 
1 1 1    7    3   51 o   53.344   12.786   6.0402   3.9792   9.7707   5.8069   2.7380   5.4635   62.482   18.545   44.207   17.608 18.27512 25.57240 
1 1 1    7    3   52 o  115.967   10.088   32.384   5.4597   34.543   7.7678   30.277   7.6754  119.882   13.864  112.051   14.657 7.830391 20.17529 
1 1 1    7    3   53 o   75.073   12.696   14.346   4.4237   11.844   6.2751   16.817   6.2373   68.349   18.973   81.796   16.876 -13.44685 25.39249 
1 1 1    7    3   54 o   55.904   13.756   7.1140   4.4083   6.0321   6.0179   8.3667   6.4757   52.747   19.046   59.062   19.854 -6.315842 27.51244 
1 1 1    7    3   55 o   69.470   13.734   12.114   4.8319   7.4582   6.6990   17.163   6.9761   57.148   20.154   81.791   18.662 -24.64363 27.46757 
1 1 1    7    3   56 o   62.720   17.115   5.1900   6.9140   15.171   12.292   0.5711   8.3622   77.426   27.301   48.013   20.649 29.41280 34.23092 
1 1 1    7    3   57 o  181.343   16.504   81.243   13.357  101.044   23.380   71.648   16.275  194.971   25.659  167.715   20.764 27.25656 33.00745 
1 1 1    7    3   58 o  105.286   18.323   29.622   9.3955   16.841   12.468   46.415   14.292   79.328   27.527  131.243   24.192 -51.91510 36.64657 
1 1 1    7    3   59 o  105.528   19.016   29.606   10.112   14.502   13.223   50.873   15.691   75.318   28.056  135.737   25.675 -60.41911 38.03149 
1 1 1    7    3   60 o   56.564   14.669   7.1448   5.4285   10.782   6.7190   0.3077   9.2125   64.233   20.126   48.895   21.345 15.33828 29.33725 
1 1 1    7    3   61 o  109.461   16.727   33.267   8.3054   34.647   11.570   31.801   11.929  112.480   22.791  106.442   24.490 6.037956 33.45399 
1 1 1    7    3   62 o   81.130   16.161   17.591   6.4624   12.070   8.3151   26.014   10.270   66.594   22.497   95.665   23.208 -29.07024 32.32213 
1 1 1    7    3   63 f   92.119   16.306   23.849   6.9833   21.241   9.3572   27.129   10.492   86.529   22.814   97.709   23.303 -11.18047 32.61112 
1 1 1    7    3   64 o   63.767   14.510   8.4940   5.2354   2.2847   6.4919   20.043   8.8538   44.227   18.571   83.306   22.299 -39.07833 29.01977 
1 1 1    7    3   65 o  100.701   17.104   34.181   7.6191   37.419   8.7325   23.855   15.593  119.857   15.589   81.545   30.449 38.31261 34.20782 
1 1 1    7    3   66 o  137.517   14.131   53.735   8.3066   58.053   10.552   46.699   13.469  149.992   15.054  125.042   23.919 24.94946 28.26197 
1 1 1    7    3   67 f   51.366   14.836   4.2244   6.2857   12.133   8.6906  -4.4512   9.1025   62.393   22.833   40.340   18.951 22.05345 29.67262 
1 1 1    7    3   68 o   40.292   13.375  -4.2827   6.4505  -0.5144   9.1743  -7.9668   9.0713   43.611   19.972   36.973   17.796 6.638367 26.75012 
1 1 1    7    3   69 o   50.503   13.604   6.1224   5.6811   12.349   6.4385 -15.7715   12.073   62.981   19.696   38.025   18.770 24.95605 27.20748 
1 1 1    7    3   70 f   58.804   17.037   12.400   7.2112   12.626   8.3925   11.762   14.096   59.971   22.349   57.637   25.721 2.333557 34.07460 
1 1 1    7    4    0 o  164.247   8.3479   64.161   8.9546   64.161   8.9546   64.161   8.9546  164.247   11.806  164.247   11.806 -0.000000 0.000000 
1 1 1    7    4    1 f  164.234   8.4640   63.456   6.4787   58.023   9.1584   68.897   9.1661  157.150   12.470  171.317   11.448 -14.16724 16.92810 
1 1 1    7    4    2 o  220.913   12.933  115.457   13.334  122.500   18.877  108.443   18.838  227.719   17.737  214.109   18.826 13.61008 25.86536 
1 1 1    7    4    3 o  310.514   16.551  229.550   24.017  233.249   33.965  225.851   33.965  313.063   23.214  307.965   23.599 5.097992 33.10273 
1 1 1    7    4    4 o   66.000   6.8062   10.066   2.0697   11.045   3.2658   9.4090   2.6758   68.632   10.182   63.369   9.0350 5.262875 13.61232 
1 1 1    7    4    5 o  109.643   8.4246   28.317   4.2932   24.881   6.0656   31.766   6.0773  102.926   12.610  116.361   11.175 -13.43557 16.84915 
1 1 1    7    4    6 f  209.038   15.857  106.175   14.383  111.017   17.604   96.456   24.943  216.997   17.359  201.078   26.542 15.91972 31.71470 
1 1 1    7    4    7 o  217.682   16.928  118.238   15.729  128.780   19.268   97.184   27.230  233.751   17.638  201.613   28.900 32.13786 33.85683 
1 1 1    7    4    8 o  176.008   13.850   73.955   10.653   75.548   13.026   70.737   18.510  179.232   15.551  172.785   22.922 6.446960 27.69924 
1 1 1    7    4    9 o  436.089   34.906  476.370   69.998  384.019   98.965  568.821   99.019  390.759   54.191  481.420   44.010 -90.66043 69.81101 
1 1 1    7    4   10 f  290.368   19.342  195.238   25.026  219.642   43.395  183.077   30.634  302.859   30.659  277.876   23.589 24.98315 38.68359 
1 1 1    7    4   11 o  223.798   13.368  118.229   13.960  110.673   19.741  125.787   19.745  216.573   19.504  231.023   18.288 -14.44980 26.73644 
1 1 1    7    4   12 o  303.923   17.196  219.087   24.370  202.373   34.460  235.809   34.469  292.153   25.238  315.692   23.363 -23.53867 34.39186 
1 1 1    7    4   13 o  655.904   28.463  1021.02   85.980  948.259  110.983  1130.25  135.979  628.323   37.795  683.485   42.569 -55.16217 56.92627 
1 1 1    7    4   14 o  183.778   9.6117   78.441   8.1103   75.478   10.443   82.944   12.875  179.492   12.449  188.065   14.648 -8.573853 19.22344 
1 1 1    7    4   15 o  394.744   19.836  369.103   35.805  371.813   46.211  365.032   56.637  397.049   24.904  392.440   30.881 4.608734 39.67114 
1 1 1    7    4   16 o  666.306   34.318  1086.04  103.777  1139.24  133.969  1006.22  164.097  689.849   41.553  642.763   54.627 47.08691 68.63527 
1 1 1    7    4   17 o  410.201   19.522  400.531   36.492  412.904   47.103  381.956   57.714  418.697   24.072  401.704   30.742 16.99384 39.04501 
1 1 1    7    4   18 o  426.188   20.624  431.997   40.099  442.173   51.758  416.718   63.421  433.071   25.572  419.305   32.364 13.76566 41.24763 
1 1 1    7    4   19 o  395.500   19.127  365.995   34.763  352.457   44.862  386.342   54.997  386.737   24.821  404.264   29.109 -17.52725 38.25488 
1 1 1    7    4   20 o  292.309   14.565  200.910   19.486  201.189   25.146  200.489   30.828  292.738   18.380  291.879   22.600 0.8591003 29.13037 
1 1 1    7    4   21 o  574.914   23.532  766.610   62.367  680.523   80.496  895.892   98.645  535.752   32.149  614.077   34.372 -78.32544 47.06411 
1 1 1    7    4   22 o  653.634   47.030  1100.05  131.730  951.243  228.118  1174.49  161.351  610.531   79.948  696.737   49.552 -86.20593 94.05904 
1 1 1    7    4   23 o  247.650   14.541  144.209   16.819  137.566   23.683  150.967   23.888  241.867   20.952  253.432   20.169 -11.56578 29.08209 
1 1 1    7    4   24 o  510.058   34.503  615.279   78.228  585.845   95.803  674.172  135.513  494.542   41.451  525.575   55.170 -31.03265 69.00678 
1 1 1    7    4   25 f  320.924   25.822  243.327   38.729  243.327   38.729   0.0000   0.0000  320.924   25.822  ?   ?       ?      ? 
1 1 1    7    4   26 o  515.190   58.209  661.878  140.153  661.878  140.153   0.0000   0.0000  515.190   58.209  ?   ?       ?      ? 
1 1 1    7    4   27 o  582.917   46.543  871.889  124.550  1045.66  176.217  698.421  176.064  646.625   58.311  519.208   72.558 127.4176 93.08532 
1 1 1    7    4   28 o  166.102   14.231   64.393   10.356   63.231   12.564   66.856   18.289  164.028   16.389  168.176   23.269 -4.148178 28.46135 
1 1 1    7    4   29 o  124.777   11.306   36.598   6.5928   36.312   9.3568   36.880   9.2909  124.287   16.109  125.266   15.870 -0.9786530 22.61294 
1 1 1    7    4   30 o  294.809   15.880  207.216   21.333  213.875   27.548  197.241   33.716  301.188   19.571  288.429   25.013 12.75922 31.75908 
1 1 1    7    4   31 o  188.802   11.189   83.255   9.7065   80.867   12.543   86.820   15.325  185.546   14.465  192.058   17.073 -6.512177 22.37707 
1 1 1    7    4   32 o  307.165   15.753  221.685   22.245  213.739   28.745  233.547   35.123  300.689   20.455  313.641   23.961 -12.95215 31.50513 
1 1 1    7    4   33 o  121.100   10.669   35.186   5.8541   37.866   7.5916   31.255   9.1947  127.011   12.789  115.189   17.080 11.82210 21.33758 
1 1 1    7    4   34 o  120.679   10.257   34.640   5.6503   36.209   7.3472   32.368   8.8397  124.159   12.662  117.199   16.139 6.959900 20.51315 
1 1 1    7    4   35 o  207.308   13.112  101.947   12.703  102.243   18.067  101.658   17.865  207.592   18.622  207.023   18.465 0.5684204 26.22472 
1 1 1    7    4   36 o  335.043   18.022  278.375   27.088  306.289   34.989  236.611   42.797  358.292   20.895  311.793   29.370 46.49902 36.04472 
1 1 1    7    4   37 o  521.405   26.877  682.955   63.952  691.285   82.562  670.461  101.117  529.408   33.369  513.403   42.143 16.00507 53.75419 
1 1 1    7    4   38 o  129.608   11.240   39.783   6.7987   39.636   9.8730   39.915   9.3757  129.333   16.334  129.883   15.446 -0.5498047 22.48069 
1 1 1    7    4   39 o  464.985   27.994  501.591   58.029  367.556   71.016  770.925  100.668  379.414   40.049  550.555   39.124 -171.1407 55.98810 
1 1 1    7    4   40 o  206.367   16.434  105.726   14.818  111.409   18.321   94.976   25.197  215.993   18.149  196.742   27.403 19.25095 32.86868 
1 1 1    7    4   41 o  143.549   17.483   52.449   10.989   77.188   15.919   29.927   15.189  179.285   18.999  107.814   29.355 71.47061 34.96661 
1 1 1    7    4   43 o   77.127   16.652   14.707   6.5754   13.234   9.4848   16.070   9.1237   74.140   23.992   80.114   23.098 -5.973457 33.30381 
1 1 1    7    4   44 o  218.238   20.720  130.708   18.057   95.889   31.288  148.097   22.111  188.860   36.771  247.615   19.107 -58.75504 41.43929 
1 1 1    7    4   45 o  135.801   11.456   44.327   7.2530   40.981   10.278   47.646   10.237  130.544   16.846  141.059   15.528 -10.51595 22.91110 
1 1 1    7    4   46 o  200.156   11.641   93.809   10.726   76.652   13.929  118.804   16.812  178.219   16.723  222.093   16.197 -43.87360 23.28117 
1 1 1    7    4   47 o   50.476   13.524   4.7950   4.2132   5.5696   5.0445   3.0083   7.6612   50.252   17.505   50.701   20.619 -0.4498291 27.04719 
1 1 1    7    4   48 o   58.576   12.772   4.7981   4.6544  -3.2271   6.0324   16.604   7.3165   36.204   16.431   80.948   19.558 -44.74459 25.54410 
1 1 1    7    4   49 o   54.245   16.116   0.2810   5.6218  -1.7870   6.2517   9.0194   12.851   38.856   17.247   69.634   27.230 -30.77781 32.23280 
1 1 1    7    4   50 o   59.384   17.441   3.3791   6.0111   2.4046   6.5329   8.7583   15.349   46.459   18.983   72.308   29.264 -25.84927 34.88198 
1 1 1    7    4   51 o  112.504   11.949   30.247   6.0658   28.680   7.5648   33.067   10.152  109.022   14.847  115.987   18.728 -6.964539 23.89885 
1 1 1    7    4   52 o  138.202   12.224   46.406   7.8082   37.768   10.680   56.326   11.444  124.044   18.423  152.361   16.072 -28.31676 24.44840 
1 1 1    7    4   53 o  142.992   14.650   49.603   9.3915   46.735   11.606   55.041   15.984  138.193   17.971  147.791   23.141 -9.598679 29.29927 
1 1 1    7    4   54 o  120.998   16.931   40.151   8.7219   43.705   10.663   32.966   15.162  133.296   17.116  108.701   29.217 24.59481 33.86180 
1 1 1    7    4   55 o  187.997   12.050   87.885   10.260   92.399   13.225   81.061   16.260  195.380   14.484  180.613   19.263 14.76639 24.10051 
1 1 1    7    4   56 o   81.290   17.012   13.524   7.0213   30.541   12.689   6.0151   8.4294  105.812   25.875   56.768   22.094 49.04404 34.02401 
1 1 1    7    4   57 o   73.185   16.161   14.446   7.3836  -3.7522   13.372   22.429   8.8561   54.213   24.548   92.157   21.027 -37.94347 32.32230 
1 1 1    7    4   58 o  194.460   18.459  102.177   15.370  102.911   18.577  100.584   27.366  201.134   19.763  187.787   31.182 13.34755 36.91732 
1 1 1    7    4   59 o   85.648   18.303   20.231   7.5588   19.997   9.0196   20.784   13.854   85.811   22.290   85.485   29.038 0.3256989 36.60670 
1 1 1    7    4   60 o   80.854   17.917   19.101   7.7841   22.689   9.4006   11.274   13.883   91.140   22.261   70.569   28.081 20.57082 35.83466 
1 1 1    7    4   61 o   51.036   15.357   2.2970   6.4826   5.8322   7.6808  -6.4570   12.086   53.949   21.064   48.123   22.352 5.826149 30.71323 
1 1 1    7    4   62 f  112.133   15.861   29.802   7.1976   23.753   8.2507   49.067   14.723   93.688   19.479  130.579   25.038 -36.89079 31.72224 
1 1 1    7    4   63 o   84.602   15.350   20.065   6.0864   20.308   8.2314   19.772   9.0403   85.720   20.766   83.484   22.612 2.236000 30.70054 
1 1 1    7    4   64 o   78.306   15.349   17.842   5.8343   19.200   7.9046   16.216   8.6472   82.270   20.604   74.342   22.757 7.927795 30.69830 
1 1 1    7    4   65 o  100.207   13.623   26.618   6.1780   16.181   8.0015   42.025   9.7215   74.014   21.716  126.401   16.457 -52.38770 27.24687 
1 1 1    7    4   66 o   45.125   13.541   1.9711   5.0175  -0.8480   6.7212   5.5199   7.5411   39.359   17.648   50.891   20.542 -11.53169 27.08173 
1 1 1    7    4   67 o   43.469   13.210   2.2571   4.9220   4.3669   6.5640  -0.4529   7.4393   46.207   18.971   40.731   18.388 5.476665 26.42062 
1 1 1    7    4   68 o   79.697   19.342   24.831   8.8200   21.434   12.706   27.991   12.253   73.628   27.487   85.765   27.219 -12.13746 38.68352 
1 1 1    7    4   69 o   45.435   14.651  -3.4776   6.4620   11.003   11.570 -10.0427   7.7902   58.645   24.717   32.226   15.736 26.41907 29.30132 
1 1 1    7    4   70 o   38.353   13.184  -9.7369   7.1820  -0.0008   11.238 -16.4589   9.3377   45.129   21.154   31.577   15.742 13.55171 26.36881 
1 1 1    7    5    0 f   64.165   7.2212   10.336   2.8300   10.336   2.8300   10.336   2.8300   64.165   10.212   64.165   10.212 -0.000000 0.000000 
1 1 1    7    5    1 o  282.039   13.704  192.611   17.423  209.252   22.505  167.720   27.525  298.096   16.154  265.983   22.142 32.11270 27.40865 
1 1 1    7    5    2 o  104.692   6.1480   25.487   2.9805   26.954   4.5851   24.414   3.9221  107.269   9.1460  102.115   8.2185 5.154678 12.29605 
1 1 1    7    5    3 o  347.162   14.836  286.468   23.755  276.275   36.295  294.106   31.420  341.360   22.750  352.965   19.047 -11.60504 29.67111 
1 1 1    7    5    4 o  159.728   9.6704   54.039   5.9916   70.860   13.520   49.929   6.6837  173.476   16.676  145.980   9.7967 27.49530 19.34079 
1 1 1    7    5    5 o  268.755   16.440  161.593   18.305  192.441   36.672  151.357   21.125  284.084   27.622  253.426   17.836 30.65834 32.87983 
1 1 1    7    5    6 o  382.686   27.622  384.794   40.512  302.119   81.022  412.354   46.779  348.435   49.755  416.937   24.007 -68.50229 55.24392 
1 1 1    7    5    7 o  257.152   14.776  156.276   17.758  156.274   25.118  156.278   25.109  257.150   20.901  257.155   20.892 -0.4943848E-02 29.55213 
1 1 1    7    5    8 o  513.747   37.365  694.013   81.364  571.002  140.910  755.539   99.655  469.498   64.220  557.997   38.214 -88.49911 74.72939 
1 1 1    7    5    9 f   79.268   10.556   14.775   3.6084   15.884   6.3357   14.243   4.3900   80.612   17.332   77.924   12.054 2.687851 21.11218 
1 1 1    7    5   10 o  219.446   16.340  115.437   15.676  109.807   27.165  118.247   19.193  214.860   27.053  224.032   18.331 -9.172531 32.67902 
1 1 1    7    5   11 o  255.425   14.225  153.772   16.981  153.970   24.014  153.573   24.016  255.591   20.104  255.258   20.131 0.3329315 28.45047 
1 1 1    7    5   12 o  216.851   11.229  108.391   11.217  121.963   17.766   99.394   14.464  227.884   16.681  205.819   15.037 22.06540 22.45866 
1 1 1    7    5   13 o  229.927   16.644  123.261   16.927  128.904   29.380  120.457   20.710  233.510   26.921  226.345   19.578 7.164505 33.28742 
1 1 1    7    5   14 o  305.326   16.570  219.643   23.639  214.343   33.427  224.945   33.433  301.611   23.714  309.040   23.148 -7.429138 33.13933 
1 1 1    7    5   15 o  621.872   42.646  959.121  115.835  978.095  141.880  921.192  200.601  636.869   47.668  606.874   70.728 29.99524 85.29186 
1 1 1    7    5   16 o  246.163   14.386  142.451   16.541  137.191   23.396  147.708   23.390  241.592   20.721  250.735   19.961 -9.142426 28.77135 
1 1 1    7    5   17 o  364.050   19.911  313.190   33.852  326.934   47.883  299.459   47.863  372.123   27.533  355.976   28.770 16.14676 39.82193 
1 1 1    7    5   18 o  288.896   16.394  196.708   22.093  182.822   31.242  210.597   31.247  278.611   23.994  299.182   22.348 -20.57132 32.78893 
1 1 1    7    5   19 o  437.644   23.901  454.741   48.871  442.442   69.118  467.038   69.111  431.630   34.264  443.657   33.332 -12.02640 47.80195 
1 1 1    7    5   20 o  349.447   18.467  289.583   29.455  295.362   38.013  280.900   46.598  354.210   22.963  344.684   28.927 9.526428 36.93309 
1 1 1    7    5   21 o  382.821   20.660  347.482   36.820  312.461   52.042  382.583   52.102  363.227   30.657  402.415   27.704 -39.18811 41.32007 
1 1 1    7    5   22 o  427.841   27.994  424.757   53.415  479.809   92.511  397.225   65.421  446.836   44.300  408.846   34.239 37.98975 55.98900 
1 1 1    7    5   23 o  360.636   26.834  322.860   41.542  346.303   50.854  275.843   72.019  382.733   28.431  338.539   45.520 44.19455 53.66869 
1 1 1    7    5   24 o  628.099   39.596  953.314  110.111  924.102  134.856  1011.74  190.724  618.376   46.663  637.822   63.983 -19.44543 79.19127 
1 1 1    7    5   25 o  442.162   25.907  462.674   53.536  462.674   53.536   0.0000   0.0000  442.162   25.907  ?   ?       ?      ? 
1 1 1    7    5   26 o  559.519   45.310  795.742  117.736  700.801  166.479  890.740  166.530  523.208   68.083  595.831   59.803 -72.62238 90.61904 
1 1 1    7    5   27 o  445.110   32.126  498.573   61.593  438.574  106.677  528.577   75.438  420.403   54.295  469.816   34.357 -49.41321 64.25285 
1 1 1    7    5   28 o  893.533   49.975  2084.75  206.281  2413.41  291.770  1756.30  291.681  972.196   64.216  814.871   76.591 157.3253 99.94925 
1 1 1    7    5   29 o  440.795   21.796  458.394   44.209  433.240   57.067  496.144   69.912  426.518   28.629  455.073   32.872 -28.55493 43.59121 
1 1 1    7    5   30 o  301.661   15.328  215.822   21.131  218.947   27.292  211.145   33.389  304.764   19.161  298.558   23.929 6.205750 30.65541 
1 1 1    7    5   31 o  115.334   10.156   31.453   5.3877   32.462   7.0876   30.072   8.2922  117.601   12.896  113.068   15.692 4.533127 20.31135 
1 1 1    7    5   32 o  217.560   13.227  111.718   13.445  109.393   19.075  114.014   18.955  215.281   18.959  219.839   18.450 -4.557968 26.45404 
1 1 1    7    5   33 o  285.024   14.560  190.085   19.086  181.112   24.633  203.563   30.191  276.951   19.032  293.097   22.041 -16.14587 29.12051 
1 1 1    7    5   34 o  406.101   23.478  401.983   44.547  392.108   63.043  411.831   62.955  400.893   33.648  411.309   32.751 -10.41626 46.95541 
1 1 1    7    5   35 o  244.990   14.505  143.206   16.578  134.195   23.516  152.108   23.375  237.153   21.218  252.828   19.783 -15.67416 29.00919 
1 1 1    7    5   36 o  275.173   13.982  177.536   17.733  164.540   22.927  196.891   27.979  263.120   18.644  287.226   20.843 -24.10590 27.96487 
1 1 1    7    5   37 o  249.833   17.017  141.459   19.062  182.072   33.166  121.426   23.293  274.503   25.852  225.163   22.136 49.33966 34.03419 
1 1 1    7    5   38 o  237.582   18.523  145.538   17.065  153.949   19.704  120.288   34.138  254.780   16.548  220.384   33.145 34.39626 37.04636 
1 1 1    7    5   39 o  347.628   23.812  294.098   36.815  277.012   45.074  328.340   63.810  335.940   28.709  359.316   37.999 -23.37589 47.62474 
1 1 1    7    5   40 o  167.716   17.897   76.088   12.098   88.163   14.930   52.999   20.645  192.349   16.608  143.083   31.707 49.26552 35.79315 
1 1 1    7    5   41 o  272.538   26.434  214.553   27.945  252.143   34.287  140.184   48.228  322.021   22.783  223.055   47.708 98.96606 52.86842 
1 1 1    7    5   42 o  120.486   26.028   36.991   14.228   36.991   14.228   0.0000   0.0000  120.486   26.028  ?   ?       ?      ? 
1 1 1    7    5   43 o  178.894   24.953   78.900   20.863   78.900   20.863   0.0000   0.0000  178.894   24.953  ?   ?       ?      ? 
1 1 1    7    5   44 o   81.001   15.298   14.762   5.8140   10.003   7.1505   24.046   9.9871   64.674   20.821   97.328   22.418 -32.65458 30.59579 
1 1 1    7    5   45 o  136.612   15.090   46.438   8.8591   46.679   10.930   45.976   15.124  139.227   16.799  133.997   25.073 5.230270 30.18020 
1 1 1    7    5   46 o  167.684   13.507   65.862   9.4046   62.714   10.916   74.929   18.524  161.767   14.439  173.600   22.832 -11.83360 27.01444 
1 1 1    7    5   47 o   97.750   14.779   30.085   6.3403   37.734   7.4163   9.3122   12.222  125.897   12.605   69.604   26.736 56.29310 29.55828 
1 1 1    7    5   48 o  108.073   15.069   30.957   6.4856   32.757   7.5409   25.843   12.712  117.036   13.787   99.110   26.801 17.92569 30.13886 
1 1 1    7    5   49 o   87.054   13.990   17.801   5.2000   15.238   6.1774   24.032   9.6331   77.654   17.447   96.453   21.874 -18.79833 27.97959 
1 1 1    7    5   50 o   46.190   13.908   0.9613   4.9789   1.0480   6.0373   0.7770   8.8029   42.590   17.897   49.790   21.294 -7.200684 27.81604 
1 1 1    7    5   51 o   87.809   17.706   17.920   6.2114   16.681   6.8138   24.010   15.110   80.999   18.416   94.620   30.247 -13.62090 35.41221 
1 1 1    7    5   52 o   77.127   15.081   16.609   5.6102   19.484   6.5425   8.6222   10.905   88.296   16.460   65.957   25.274 22.33900 30.16107 
1 1 1    7    5   53 o  126.764   15.390   42.361   7.5368   43.949   8.7325   37.725   14.922  135.168   13.824  118.360   27.500 16.80753 30.77904 
1 1 1    7    5   54 o  153.959   12.887   58.711   9.2670   61.551   13.219   55.967   12.995  157.760   17.929  150.158   18.518 7.601730 25.77499 
1 1 1    7    5   55 o  154.050   11.520   55.078   8.0681   41.800   10.241   76.804   13.099  130.599   16.779  177.501   15.791 -46.90240 23.04086 
1 1 1    7    5   56 o   94.973   17.910   23.414   7.6716   28.580   13.686   21.047   9.2638  101.028   28.011   88.918   22.325 12.10941 35.81950 
1 1 1    7    5   57 o   85.233   29.076   20.018   13.890   0.0000   0.0000   20.018   13.890  ?   ?    85.233   29.076      ?      ? 
1 1 1    7    5   58 f   76.747   17.729   13.374   6.5021   10.441   7.4547   22.702   13.293   64.097   21.299   89.396   28.348 -25.29831 35.45764 
1 1 1    7    5   59 o   53.979   14.964   4.3591   5.8552  -1.2123   8.3137   9.8424   8.2477   44.872   19.905   63.086   22.350 -18.21436 29.92895 
1 1 1    7    5   60 o   65.632   16.199   10.998   6.1297   12.415   8.7520   9.6338   8.5878   68.545   23.081   62.719   22.736 5.825466 32.39854 
1 1 1    7    5   61 o   53.593   12.473   0.3140   4.9400 -11.6619   6.4968   16.729   7.6062   28.895   14.165   78.290   20.534 -49.39446 24.94562 
1 1 1    7    5   62 o   39.594   12.755  -3.5391   5.2967  -7.0037   7.4913  -0.0758   7.4899   35.696   16.898   43.491   19.109 -7.794621 25.50902 
1 1 1    7    5   63 o   54.550   14.224   5.1331   5.4152  -2.3141   7.5586   12.986   7.7619   40.712   18.443   68.388   21.659 -27.67552 28.44781 
1 1 1    7    5   64 o   39.347   12.595  -1.7210   4.9215  -2.1356   6.5086  -1.1674   7.5207   37.385   17.005   41.310   18.584 -3.925072 25.19034 
1 1 1    7    5   65 o   65.776   14.997   11.869   5.3327   8.2065   7.0640   16.722   8.1313   56.113   20.578   75.438   21.822 -19.32552 29.99421 
1 1 1    7    5   66 o   64.852   14.125   10.880   4.9614   5.2767   6.3376   19.750   7.9739   48.285   19.049   81.419   20.861 -33.13358 28.24975 
1 1 1    7    5   67 o   34.661   11.715  -5.5022   4.9840  -4.1898   5.9550  -8.5716   9.1069   32.440   15.267   36.882   17.772 -4.441723 23.42932 
1 1 1    7    5   68 o   75.416   17.408   20.223   6.9815   19.923   8.8614   20.713   11.336   76.918   22.927   73.915   26.201 3.003113 34.81594 
1 1 1    7    5   69 o   45.979   13.831   4.0007   5.1694   6.0969   7.8583   2.4016   6.8636   49.499   20.581   42.460   18.483 7.038994 27.66196 
1 1 1    7    5   70 o   61.601   15.386   14.654   6.5605   2.0274   12.817   19.136   7.6367   48.021   22.536   75.181   20.952 -27.16002 30.77122 
1 1 1    7    6    0 o  920.439   56.973  2186.15  340.483  2186.15  340.483  2186.15  340.483  920.439   80.571  920.439   80.571 -0.000000 0.000000 
1 1 1    7    6    1 o  114.163   7.0431   30.534   3.7578   30.442   5.3218   30.626   5.3068  113.990   9.9896  114.336   9.9312 -0.3458557 14.08623 
1 1 1    7    6    2 o  374.497   20.044  334.628   35.071  343.709   49.584  325.536   49.613  379.691   27.943  369.303   28.745 10.38727 40.08852 
1 1 1    7    6    3 o  321.730   20.568  244.730   26.834  242.235   30.978  252.228   53.705  320.188   20.701  323.272   35.547 -3.083710 41.13560 
1 1 1    7    6    4 o   72.997   6.6767   12.588   2.2563   10.839   3.2394   14.237   3.1445   68.015   10.191   77.978   8.6286 -9.962975 13.35334 
1 1 1    7    6    5 o  127.731   8.5299   38.430   4.9766   39.049   6.4219   37.500   7.8739  129.077   10.646  126.385   13.331 2.691444 17.05974 
1 1 1    7    6    6 o  614.548   31.351  943.618   87.111  1003.30  112.461  854.097  137.731  643.601   37.389  585.495   50.335 58.10571 62.70161 
1 1 1    7    6    7 o  554.979   28.236  749.807   73.026  812.728  103.283  686.908  103.265  579.232   38.153  530.726   41.633 48.50635 56.47129 
1 1 1    7    6    8 o  244.584   16.487  138.726   17.914  150.639   31.059  132.787   21.930  251.866   26.386  237.302   19.774 14.56354 32.97305 
1 1 1    7    6    9 o  299.895   22.446  226.035   28.663  184.223   49.637  246.952   35.109  276.530   38.408  323.260   23.239 -46.72934 44.89143 
1 1 1    7    6   10 o  516.065   38.490  694.680   83.770  550.949  145.072  766.577  102.604  467.105   66.455  565.026   38.856 -97.92108 76.98061 
1 1 1    7    6   11 o  362.169   19.732  313.605   32.853  249.290   46.432  378.084   46.491  324.125   30.652  400.212   24.857 -76.08658 39.46409 
1 1 1    7    6   12 o  102.949   8.7882   24.823   4.2282   24.620   5.9676   25.029   5.9917  102.524   12.455  103.373   12.402 -0.8491516 17.57646 
1 1 1    7    6   13 o  510.384   27.652  622.107   65.957  619.095   93.275  625.121   93.280  509.121   39.201  511.647   39.010 -2.525665 55.30399 
1 1 1    7    6   14 o  778.099   49.919  1464.52  173.206  1358.68  212.117  1676.28  300.048  743.597   61.037  812.601   79.008 -69.00323 99.83898 
1 1 1    7    6   15 o  254.099   24.434  174.377   22.491  191.420   25.959  123.062   45.045  285.475   19.457  222.722   44.827 62.75317 48.86726 
1 1 1    7    6   16 o  364.088   26.268  327.835   41.132  350.713   50.373  282.065   71.250  385.352   27.970  342.824   44.470 42.52771 52.53511 
1 1 1    7    6   17 f  652.213   41.850  1062.62  108.498  1083.89  125.273  998.802  217.047  673.760   39.784  630.666   73.640 43.09344 83.69926 
1 1 1    7    6   18 o  392.158   23.339  350.256   37.663  335.054   43.471  396.018   75.423  377.069   24.668  407.248   39.628 -30.17911 46.67834 
1 1 1    7    6   19 o  431.458   22.482  389.814   40.960  330.627   47.268  568.247   82.071  374.225   27.027  488.692   35.934 -114.4671 44.96357 
1 1 1    7    6   20 o  517.293   37.624  683.765   76.007  716.075   87.745  586.658  152.120  548.972   34.200  485.613   67.027 63.35931 75.24844 
1 1 1    7    6   21 o  869.858   74.353  2051.03  302.242  2075.75  427.389  2026.31  427.482  875.953  104.400  863.762  105.896 12.19110 148.7055 
1 1 1    7    6   22 o  526.620   58.402  679.996  143.736  679.996  143.736   0.0000   0.0000  526.620   58.402  ?   ?       ?      ? 
1 1 1    7    6   23 o  329.764   37.066  259.533   57.125  259.533   57.125   0.0000   0.0000  329.764   37.066  ?   ?       ?      ? 
1 1 1    7    6   24 o   87.037   17.377   18.427   6.8207   18.427   6.8207   0.0000   0.0000   87.037   17.377  ?   ?       ?      ? 
1 1 1    7    6   25 o  341.424   21.648  266.440   33.082  241.398   40.509  316.575   57.319  319.000   27.172  363.848   33.708 -44.84793 43.29625 
1 1 1    7    6   26 o  582.412   36.445  800.600   94.999  719.015  116.280  964.359  164.740  542.931   45.826  621.893   56.681 -78.96191 72.88921 
1 1 1    7    6   27 o  167.083   17.026   65.998   13.287   63.971   18.406   68.202   19.200  164.419   23.953  169.747   24.202 -5.328308 34.05172 
1 1 1    7    6   28 o  389.325   26.248  363.082   45.084  358.057   55.191  373.158   78.160  387.273   30.493  391.377   42.731 -4.104462 52.49594 
1 1 1    7    6   29 o  545.370   40.009  768.324   93.898  810.187  114.995  684.570  162.656  576.566   42.676  514.173   67.689 62.39240 80.01900 
1 1 1    7    6   30 o  292.694   16.060  179.142   19.828  152.082   22.866  261.162   39.809  253.897   19.270  331.491   25.696 -77.59485 32.11903 
1 1 1    7    6   31 o  136.733   13.215   40.675   7.4446   37.255   8.5319   51.587   15.240  125.894   14.501  147.571   22.097 -21.67727 26.43049 
1 1 1    7    6   32 o  250.864   18.962  160.566   18.431  170.552   21.275  130.516   36.904  269.092   16.917  232.636   33.943 36.45604 37.92492 
1 1 1    7    6   33 o  363.715   24.258  310.273   39.440  284.630   48.322  361.446   68.264  343.656   30.087  383.774   38.060 -40.11746 48.51601 
1 1 1    7    6   34 o  153.700   13.846   55.143   9.5060   52.826   11.713   59.612   16.269  149.406   16.775  157.993   22.034 -8.587402 27.69296 
1 1 1    7    6   35 o  170.226   18.374   71.028   14.018   87.957   20.260   55.480   19.416  191.653   22.620  148.799   28.962 42.85399 36.74834 
1 1 1    7    6   36 o   82.470   20.061   16.846   7.6580   16.846   7.6580   0.0000   0.0000   82.470   20.061  ?   ?       ?      ? 
1 1 1    7    6   37 o  151.548   16.450   60.744   10.079   68.938   12.338   44.308   17.474  170.684   15.467  132.411   29.038 38.27348 32.90007 
1 1 1    7    6   38 o  244.404   21.083  143.174   24.082  143.174   24.082   0.0000   0.0000  244.404   21.083  ?   ?       ?      ? 
1 1 1    7    6   39 o  254.649   17.691  151.345   20.150  136.823   24.657  180.539   34.961  238.120   22.156  271.179   27.586 -33.05905 35.38173 
1 1 1    7    6   40 o  121.810   18.053   37.703   9.9209   36.205   14.621   38.981   13.506  119.071   26.907  124.548   24.074 -5.476860 36.10506 
1 1 1    7    6   41 o  171.137   25.888   72.056   20.706   72.056   20.706   0.0000   0.0000  171.137   25.888  ?   ?       ?      ? 
1 1 1    7    6   42 o  154.455   23.593   58.373   17.031   58.373   17.031   0.0000   0.0000  154.455   23.593  ?   ?       ?      ? 
1 1 1    7    6   43 o  273.824   34.477  194.264   44.120  194.264   44.120   0.0000   0.0000  273.824   34.477  ?   ?       ?      ? 
1 1 1    7    6   44 o  190.247   16.671   91.105   13.764   94.715   16.868   83.914   23.809  198.035   18.226  182.458   27.921 15.57680 33.34292 
1 1 1    7    6   45 o  106.683   14.883   29.999   6.9331   34.135   8.7516   23.030   11.361  119.177   15.713   94.188   25.281 24.98854 29.76606 
1 1 1    7    6   46 o  120.758   18.344   38.666   10.172   30.059   15.359   45.391   13.576  105.948   29.780  135.568   21.427 -29.61965 36.68716 
1 1 1    7    6   47 o  359.444   33.510  403.408   42.544  433.372   49.133  313.614   85.053  415.383   25.309  303.505   62.057 111.8775 67.01936 
1 1 1    7    6   48 o   42.076   13.446  -3.5377   5.6180  -3.0111   7.5452  -4.1929   8.4162   41.447   18.633   42.705   19.392 -1.257996 26.89281 
1 1 1    7    6   49 o  145.964   12.936   50.087   7.9281   47.395   9.2560   57.502   15.362  140.329   14.113  151.599   21.683 -11.27040 25.87148 
1 1 1    7    6   50 o   92.964   15.070   23.334   5.9651   25.210   6.9728   18.214   11.519  102.260   14.590   83.668   26.374 18.59143 30.14034 
1 1 1    7    6   51 o  173.239   14.829   75.082   10.322   75.527   11.945   73.769   20.513  177.058   14.435  169.420   25.908 7.638092 29.65779 
1 1 1    7    6   52 o   97.865   15.205   25.287   6.2046   26.564   7.2498   21.792   11.995  104.973   14.778   90.758   26.577 14.21519 30.40912 
1 1 1    7    6   53 o  133.255   15.513   44.621   9.0132   42.675   11.157   48.277   15.293  131.479   18.157  135.033   25.159 -3.553940 31.02636 
1 1 1    7    6   54 o   40.742   12.716  -2.1308   4.5950  -4.2630   5.7495   1.6391   7.6449   33.595   15.538   47.889   20.133 -14.29359 25.43151 
1 1 1    7    6   55 o   78.264   15.456   16.086   5.8592   16.428   7.9102   15.671   8.7213   79.254   21.014   77.274   22.671 1.979195 30.91251 
1 1 1    7    6   56 o   99.768   15.276   26.098   7.2583   14.394   9.9973   39.144   10.555   74.272   24.664  125.264   18.030 -50.99150 30.55123 
1 1 1    7    6   57 o  220.945   36.405  147.678   37.592   0.0000   0.0000  147.678   37.592  ?   ?   220.945   36.405      ?      ? 
1 1 1    7    6   58 o  104.288   18.074   23.756   7.5735   17.883   8.4967   46.463   16.707   81.441   21.864  127.135   28.787 -45.69453 36.14876 
1 1 1    7    6   59 o   72.303   16.044   13.770   6.3925   7.6742   9.1398   19.608   8.9440   59.856   23.086   84.750   22.285 -24.89392 32.08730 
1 1 1    7    6   60 o   84.290   15.772   19.238   6.5900   27.364   9.6175   12.047   9.0478  100.790   21.095   67.791   23.453 32.99897 31.54391 
1 1 1    7    6   61 o   61.225   15.713   8.7685   5.9867   13.819   8.8593   4.5244   8.1216   70.512   23.208   51.938   21.188 18.57442 31.42516 
1 1 1    7    6   62 o   58.613   14.446   8.8273   5.0578   11.461   6.4400   4.5883   8.1708   65.137   19.574   52.088   21.251 13.04940 28.89192 
1 1 1    7    6   63 o   41.611   12.250  -0.6502   4.5892   6.2435   6.1249  -9.4744   6.9296   51.534   19.115   31.689   15.327 19.84532 24.50072 
1 1 1    7    6   64 o   42.408   13.186   0.4906   5.0590  -0.2878   7.3383   1.1956   6.9838   41.795   18.612   43.020   18.685 -1.225937 26.37294 
1 1 1    7    6   65 o   55.286   12.773   3.6203   5.0970   17.513   7.4659  -8.5067   6.9755   78.260   20.256   32.313   15.566 45.94666 25.54615 
1 1 1    7    6   66 o   60.767   14.434   11.149   5.5149   16.108   6.9355   2.6225   9.0947   73.613   19.750   47.920   21.056 25.69344 28.86897 
1 1 1    7    6   67 o   42.791   12.765   0.8428   5.0718   7.4344   6.4772  -9.6035   8.1540   51.830   19.569   33.752   16.395 18.07791 25.52945 
1 1 1    7    6   68 o   45.823   13.800   3.6284   5.1614   6.3252   7.8912   1.6121   6.8233   50.199   20.727   41.447   18.225 8.751907 27.59983 
1 1 1    7    6   69 o   56.038   15.999   10.031   6.2047   8.9754   12.154   10.404   7.2159   55.268   24.312   56.809   20.803 -1.541466 31.99734 
1 1 1    7    7    0 o  494.143   23.481  585.992   75.893  585.992   75.893  585.992   75.893  494.143   33.207  494.143   33.207 -0.000000 0.000000 
1 1 1    7    7    1 o  264.114   14.139  166.471   16.988  156.034   26.853  173.435   21.936  256.806   22.374  271.422   17.293 -14.61664 28.27760 
1 1 1    7    7    2 o  223.846   10.941  118.386   11.355  101.182   16.049  135.628   16.066  207.383   16.559  240.308   14.306 -32.92529 21.88296 
1 1 1    7    7    3 o  190.199   11.530   85.072   10.249   84.853   14.513   85.290   14.475  189.951   16.348  190.446   16.264 -0.4946289 23.05996 
1 1 1    7    7    4 o  280.487   12.983  185.361   17.003  176.571   24.051  194.145   24.042  273.783   18.797  287.191   17.912 -13.40796 25.96503 
1 1 1    7    7    5 o  105.850   6.7568   26.466   3.2933   31.818   4.6731   21.185   4.6418  116.596   8.5758   95.103   10.444 21.49375 13.51350 
1 1 1    7    7    6 o  296.087   19.542  209.962   23.255  211.923   26.851  204.075   46.518  300.045   19.149  292.129   34.072 7.916199 39.08458 
1 1 1    7    7    7 o  249.564   12.872  146.672   14.696  147.677   18.974  145.164   23.233  250.792   16.188  248.335   20.018 2.456604 25.74466 
1 1 1    7    7    8 o  312.663   20.045  222.254   28.043  263.580   48.620  201.654   34.328  333.119   31.230  292.207   25.137 40.91254 40.08967 
1 1 1    7    7    9 o  510.097   33.811  623.754   76.225  649.406  132.046  610.933   93.349  515.075   54.854  505.118   39.543 9.956787 67.62158 
1 1 1    7    7   10 o  415.281   24.851  385.807   46.352  503.251   80.331  327.188   56.753  459.315   37.422  371.248   32.710 88.06635 49.70299 
1 1 1    7    7   11 f  200.665   18.224  107.882   14.351   69.496   24.782  127.249   17.603  168.409   32.665  232.921   16.171 -64.51204 36.44889 
1 1 1    7    7   12 o  348.102   24.365  293.605   36.916  271.169   63.940  304.824   45.214  336.828   40.618  359.376   26.920 -22.54886 48.72904 
1 1 1    7    7   13 o  759.740   48.085  1412.97  161.660  1500.81  280.027  1369.07  197.984  770.225   77.793  749.255   56.540 20.96967 96.16915 
1 1 1    7    7   14 o  334.468   18.880  264.126   29.485  251.355   41.731  276.858   41.665  326.308   27.364  342.628   26.020 -16.31995 37.76036 
1 1 1    7    7   15 o  422.914   19.700  422.183   38.155  421.339   49.264  423.448   60.317  422.830   24.930  422.997   30.511 -0.1673279 39.40081 
1 1 1    7    7   16 o  801.991   37.366  1575.78  137.720  1894.24  194.817  1257.65  194.714  886.906   47.001  717.076   58.102 169.8294 74.73208 
1 1 1    7    7   17 o  368.832   25.021  323.358   40.622  323.169   49.745  323.736   70.381  369.746   28.787  367.919   40.932 1.826385 50.04113 
1 1 1    7    7   18 f  124.375   11.087   34.281   5.4829   32.625   6.2113   40.122   11.669  118.054   11.258  130.696   19.104 -12.64175 22.17417 
1 1 1    7    7   19 o  460.539   25.895  482.875   53.372  433.231   65.273  583.020   92.708  427.297   32.686  493.781   40.174 -66.48407 51.79085 
1 1 1    7    7   20 o  541.131   28.719  700.683   72.608  680.756  102.643  720.640  102.722  533.250   41.187  549.011   40.035 -15.76056 57.43810 
1 1 1    7    7   21 o  142.174   15.871   49.114   10.077   38.656   14.442   59.038   14.069  125.814   25.436  158.535   18.988 -32.72070 31.74174 
1 1 1    7    7   22 o  345.382   22.696  274.345   35.007  254.752   42.892  313.439   60.589  328.161   27.967  362.603   35.753 -34.44131 45.39208 
1 1 1    7    7   23 o  223.087   14.695  118.437   13.314  119.698   15.450  114.799   26.240  225.871   14.636  220.302   25.486 5.569473 29.38961 
1 1 1    7    7   24 o  242.545   12.411  138.234   13.778  137.823   17.762  138.854   21.831  242.246   15.689  242.844   19.236 -0.5973358 24.82231 
1 1 1    7    7   25 o  536.077   36.585  742.285   83.442  616.117  144.545  805.345  102.189  493.655   62.652  578.500   37.797 -84.84515 73.17046 
1 1 1    7    7   26 o   76.015   14.441   15.012   4.9752   16.843   5.7526   9.5761   9.9104   83.388   15.326   68.643   24.481 14.74508 28.88213 
1 1 1    7    7   27 o  335.291   28.388  277.895   42.966  357.849   60.785  198.061   60.740  386.272   33.671  284.309   45.713 101.9628 56.77547 
1 1 1    7    7   28 o  285.572   14.675  192.522   19.577  199.323   27.749  185.781   27.625  290.638   20.429  280.505   21.073 10.13342 29.34972 
1 1 1    7    7   29 o  282.551   16.757  190.205   21.961  164.363   31.146  215.758   30.971  263.079   25.332  302.023   21.942 -38.94336 33.51334 
1 1 1    7    7   30 o  322.729   21.116  238.000   30.504  212.411   37.301  289.670   53.005  298.526   26.736  346.933   32.691 -48.40762 42.23144 
1 1 1    7    7   31 o  374.185   22.953  315.612   38.572  264.919   47.214  417.349   66.885  332.497   30.383  415.873   34.413 -83.37589 45.90658 
1 1 1    7    7   32 o  274.230   26.075  214.822   25.056  240.788   28.902  136.270   50.269  319.092   19.381  229.368   48.415 89.72430 52.15024 
1 1 1    7    7   33 o  266.581   17.089  160.874   20.388  140.042   24.872  203.542   35.596  242.298   21.964  290.864   26.186 -48.56622 34.17778 
1 1 1    7    7   34 o  246.967   17.187  138.305   19.052  118.969   23.317  177.142   33.045  222.982   22.375  270.952   26.096 -47.96977 34.37492 
1 1 1    7    7   35 o   65.155   15.231   9.7856   5.4069   11.176   7.0010   7.7313   8.5112   68.061   20.399   62.250   22.624 5.810867 30.46279 
1 1 1    7    7   36 o  315.685   18.789  224.822   24.686  206.715   28.502  279.198   49.391  294.173   20.731  337.197   31.342 -43.02393 37.57781 
1 1 1    7    7   37 o  255.780   19.491  170.446   19.217  181.064   22.177  138.441   38.503  276.089   17.187  235.471   34.988 40.61798 38.98146 
1 1 1    7    7   38 o  115.219   14.964   34.466   7.2964   38.549   9.0262   26.767   12.395  127.516   15.146  102.921   25.814 24.59493 29.92895 
1 1 1    7    7   39 o  107.677   14.761   28.223   6.8626   27.742   8.3719   29.210   11.981  107.870   16.607  107.484   24.408 0.3852615 29.52210 
1 1 1    7    7   40 o  165.412   14.778   67.274   10.687   69.669   13.146   62.607   18.350  170.867   16.463  159.957   24.546 10.90965 29.55550 
1 1 1    7    7   42 o  247.013   20.807  148.078   24.020  148.078   24.020   0.0000   0.0000  247.013   20.807  ?   ?       ?      ? 
1 1 1    7    7   43 f   91.280   16.798   21.211   7.2136   20.558   9.7679   21.994   10.699   89.842   23.127   92.718   24.370 -2.875816 33.59673 
1 1 1    7    7   44 o  113.738   15.666   34.218   7.6141   37.941   9.3849   27.049   13.025  125.687   15.977  101.789   26.953 23.89778 31.33284 
1 1 1    7    7   45 o  158.023   18.475   64.437   12.823   90.205   18.762   41.850   17.566  191.362   20.979  124.685   30.416 66.67677 36.94906 
1 1 1    7    7   46 f  153.399   18.022   71.676   9.8692   82.358   11.415   40.058   19.639  185.848   13.143  120.949   33.562 64.89851 36.04345 
1 1 1    7    7   47 o  211.850   15.046  105.158   13.144   99.199   15.174  123.061   26.301  202.867   16.005  220.834   25.484 -17.96733 30.09293 
1 1 1    7    7   48 o  125.671   14.036   38.498   6.9681   37.476   8.0487   41.556   13.923  124.962   13.782  126.380   24.456 -1.418213 28.07227 
1 1 1    7    7   49 o   65.487   14.849   9.2833   4.5802   7.7410   5.2579   14.136   9.3268   56.362   17.824   74.613   23.754 -18.25086 29.69763 
1 1 1    7    7   50 o   61.702   15.047   8.9358   5.2791   10.153   6.8794   7.1920   8.2333   64.137   20.399   59.266   22.127 4.870552 30.09492 
1 1 1    7    7   51 o   80.547   16.265   17.071   6.3547   18.433   7.9345   14.635   10.612   84.696   20.308   76.398   25.413 8.297256 32.53094 
1 1 1    7    7   52 o  113.414   16.073   39.221   7.2223   45.677   8.3860   20.681   14.211  138.066   12.996   88.762   29.403 49.30357 32.14688 
1 1 1    7    7   53 o   56.222   14.655   6.8550   5.1680   9.3607   6.0917   0.4209   9.7615   61.176   19.163   51.269   22.179 9.906990 29.31086 
1 1 1    7    7   54 o   52.834   14.923   3.3888   5.1372   1.6475   6.0850   7.7093   9.5848   43.673   18.131   61.994   23.709 -18.32056 29.84665 
1 1 1    7    7   55 o  129.098   15.171   39.898   8.6491   29.826   10.746   58.422   14.574  106.266   22.346  151.931   20.525 -45.66462 30.34212 
1 1 1    7    7   56 o   58.840   16.607   5.9404   6.6028   7.3079   11.301   5.2316   8.1360   63.128   25.264   54.551   21.563 8.576477 33.21479 
1 1 1    7    7   57 o  130.953   16.173   32.502   8.3853   20.739   9.3730   79.656   18.766   87.563   22.712  174.342   23.032 -86.77905 32.34612 
1 1 1    7    7   58 o   48.627   16.141  -4.6647   5.9077  -5.5215   6.3233   1.2177   16.569   33.869   15.873   63.385   28.109 -29.51615 32.28158 
1 1 1    7    7   59 o  105.398   14.550   30.147   6.7609   32.914   8.6269   25.741   10.885  114.803   16.079   95.993   24.254 18.81035 29.09922 
1 1 1    7    7   60 o   58.052   14.514   4.3550   6.1508   16.638   8.6713  -8.0843   8.7262   77.522   22.567   38.583   18.257 38.93806 29.02719 
1 1 1    7    7   61 o   61.365   14.991   8.0397   5.8152   16.928   8.6399   0.6783   7.8628   77.304   22.532   45.425   19.778 31.87904 29.98139 
1 1 1    7    7   62 o   47.443   14.146   0.8727   5.5822   6.8123   8.3258  -3.9777   7.5237   56.077   21.921   38.809   17.888 17.26777 28.29281 
1 1 1    7    7   63 o   39.056   12.422  -1.9089   4.8653   1.0237   6.5226  -5.5872   7.3049   42.052   18.161   36.060   16.952 5.992599 24.84318 
1 1 1    7    7   64 o   60.255   14.897   10.171   5.2462   11.856   6.9674   7.9644   7.9722   64.353   20.536   56.156   21.588 8.197235 29.79484 
1 1 1    7    7   65 o   86.357   16.268   24.700   7.4657   32.953   9.5685   11.857   11.936  108.121   19.660   64.592   25.924 43.52919 32.53541 
1 1 1    7    7   66 o   78.979   16.119   20.857   6.3185   22.524   7.6540   17.290   11.195   87.661   19.213   70.296   25.886 17.36491 32.23730 
1 1 1    7    7   67 o   49.180   14.088   5.9548   5.0720   7.1616   6.8911   4.5282   7.4922   51.203   19.963   47.157   19.884 4.046234 28.17572 
1 1 1    7    7   68 o   57.164   14.147   9.7181   5.0488   4.3985   7.2681   14.679   7.0188   46.360   19.568   67.968   20.437 -21.60874 28.29431 
1 1 1    7    7   69 o   56.828   14.543   11.059   6.2447  -6.0924   12.440   16.837   7.2204   42.556   20.571   71.100   20.562 -28.54436 29.08594 
1 1 1    7    8    0 o   70.997   10.078   13.123   4.1936   13.123   4.1936   13.123   4.1936   70.997   14.253   70.997   14.253 -0.000000 0.000000 
1 1 1    7    8    1 o  309.785   17.178  227.144   24.763  203.125   35.007  251.202   35.035  293.183   25.549  326.387   22.968 -33.20468 34.35510 
1 1 1    7    8    2 o  120.411   12.042   35.535   6.1248   31.628   10.513   37.543   7.5358  114.244   20.440  126.578   12.739 -12.33395 24.08488 
1 1 1    7    8    3 o  236.534   13.500  131.669   14.898  140.676   21.083  122.687   21.054  244.669   18.438  228.398   19.725 16.27171 27.00025 
1 1 1    7    8    4 f  447.040   23.629  503.114   44.852  268.218   63.366  738.971   63.495  334.385   40.548  559.694   24.274 -225.3089 47.25843 
1 1 1    7    8    5 o  408.528   19.282  404.280   35.501  438.887   45.833  352.379   56.128  431.642   22.720  385.413   31.161 46.22928 38.56450 
1 1 1    7    8    6 o  229.155   10.993  123.239   11.761  116.867   16.636  129.605   16.629  223.208   15.948  235.103   15.135 -11.89465 21.98607 
1 1 1    7    8    7 o  528.303   25.233  668.708   60.787  643.108   96.131  685.763   78.465  518.690   39.657  537.917   31.212 -19.22699 50.46587 
1 1 1    7    8    8 o  259.046   16.950  155.426   17.862  163.557   35.843  152.739   20.603  262.971   29.164  255.120   17.280 7.850693 33.89908 
1 1 1    7    8    9 o  490.711   38.399  586.326   87.911  548.223  124.325  624.430  124.326  474.097   56.111  507.326   52.437 -33.22906 76.79863 
1 1 1    7    8   10 o  427.029   22.486  432.515   44.792  402.418   63.325  462.653   63.367  411.940   32.892  442.118   30.668 -30.17792 44.97118 
1 1 1    7    8   11 o  365.096   20.283  315.521   34.514  342.060   48.809  288.980   48.810  380.651   27.437  349.542   29.879 31.10922 40.56525 
1 1 1    7    8   12 o  211.516   16.116  108.195   14.800   97.100   25.578  113.779   18.145  202.840   26.982  220.193   17.633 -17.35300 32.23264 
1 1 1    7    8   13 o  587.285   40.438  858.681  103.126  792.971  178.620  891.536  126.303  565.061   67.638  609.509   44.340 -44.44794 80.87595 
1 1 1    7    8   14 o  418.043   20.009  413.707   38.972  450.573   55.107  376.821   55.123  436.919   26.987  399.168   29.548 37.75085 40.01772 
1 1 1    7    8   15 o  622.196   33.139  932.588   96.327  961.142  136.237  904.041  136.217  632.013   46.124  612.378   47.596 19.63434 66.27813 
1 1 1    7    8   16 o  607.038   25.956  857.121   72.636  758.018   93.757  1005.91  114.879  564.526   35.537  649.550   37.843 -85.02448 51.91272 
1 1 1    7    8   17 o  110.690   12.915   29.180   5.8315   29.060   6.8727   29.487   11.019  111.378   13.203  110.002   22.200 1.376617 25.82941 
1 1 1    7    8   18 o  313.903   19.908  239.971   27.080  213.007   46.778  253.562   33.211  299.508   33.419  328.298   21.645 -28.79013 39.81653 
1 1 1    7    8   19 o  486.605   37.387  575.699   84.982  596.344  120.268  555.112  120.097  495.656   51.919  477.553   53.811 18.10312 74.77398 
1 1 1    7    8   20 o  260.577   22.233  161.646   26.921  142.551   38.182  180.523   37.963  244.977   33.350  276.178   29.412 -31.20175 44.46680 
1 1 1    7    8   21 o  401.818   25.135  379.197   41.137  372.902   47.522  398.015   82.165  397.289   25.595  406.347   43.266 -9.058563 50.26976 
1 1 1    7    8   22 o  395.437   24.480  360.849   39.786  347.001   45.960  402.257   79.475  382.879   25.685  407.995   41.681 -25.11572 48.95911 
1 1 1    7    8   23 f  472.009   22.299  531.490   48.162  532.327   62.169  530.232   76.166  473.453   28.097  470.566   34.633 2.886078 44.59718 
1 1 1    7    8   24 o  287.056   13.770  190.407   18.212  173.577   23.493  215.756   28.832  271.570   18.510  302.543   20.391 -30.97263 27.53957 
1 1 1    7    8   25 o  261.926   14.755  161.965   18.028  149.710   25.357  174.491   25.636  251.817   21.546  272.034   20.164 -20.21710 29.50989 
1 1 1    7    8   26 o  334.516   26.551  272.608   40.777  214.946   57.477  331.038   57.859  297.422   41.350  371.610   33.315 -74.18735 53.10142 
1 1 1    7    8   27 o  227.256   14.930  112.399   15.176   89.890   18.486  158.921   26.577  195.190   20.265  259.321   21.929 -64.13116 29.85910 
1 1 1    7    8   28 o  260.479   17.480  159.877   20.022  164.395   34.998  157.679   24.411  262.533   28.524  258.424   20.212 4.109406 34.95963 
1 1 1    7    8   29 o  106.533   11.351   26.682   5.6423   27.214   8.2482   26.215   7.7353  107.512   16.416  105.555   15.680 1.956917 22.70129 
1 1 1    7    8   30 o  190.936   11.926   87.162   10.324   91.873   13.306   80.035   16.366  197.720   14.400  184.153   19.016 13.56693 23.85289 
1 1 1    7    8   31 o  403.384   26.405  418.586   41.473  439.785   47.881  354.907   82.986  430.000   23.826  376.769   47.129 53.23001 52.80939 
1 1 1    7    8   32 o  189.085   12.625   84.738   11.135   78.484   15.685   91.094   15.812  181.960   18.444  196.210   17.243 -14.24992 25.24911 
1 1 1    7    8   33 o  111.796   12.416   30.115   6.1065   42.009   9.0335   20.107   8.2864  133.417   14.488   90.176   20.168 43.24098 24.83204 
1 1 1    7    8   34 o  357.404   20.236  310.919   33.727  333.852   47.713  288.016   47.683  371.120   27.509  343.688   29.686 27.43237 40.47254 
1 1 1    7    8   35 o  345.567   16.600  280.271   26.437  248.460   34.096  328.223   41.862  321.873   22.666  369.261   24.258 -47.38794 33.19899 
1 1 1    7    8   36 o  281.236   16.547  190.696   21.689  206.259   30.650  175.087   30.695  293.100   22.376  269.372   24.382 23.72858 33.09346 
1 1 1    7    8   37 o  466.466   26.575  554.484   57.461  479.283   81.256  629.708   81.269  431.968   40.250  500.963   34.712 -68.99542 53.15011 
1 1 1    7    8   38 o  258.005   20.238  169.226   22.435  151.262   39.121  178.030   27.386  244.445   34.244  271.564   21.578 -27.11938 40.47533 
1 1 1    7    8   39 o  271.795   16.252  180.401   20.493  205.056   29.041  155.944   28.923  291.104   21.346  252.485   24.512 38.61945 32.50327 
1 1 1    7    8   40 o  142.923   13.696   47.592   8.8899   42.945   11.116   55.838   14.808  133.885   17.765  151.961   20.850 -18.07616 27.39231 
1 1 1    7    8   41 o  173.115   17.336   73.705   14.025   73.722   19.962   73.689   19.709  173.077   24.679  173.153   24.355 -0.7612610E-01 34.67293 
1 1 1    7    8   42 o   92.529   13.717   25.330   5.9834   6.7969   10.004   35.653   7.4661   62.505   24.140  122.552   13.036 -60.04762 27.43466 
1 1 1    7    8   43 o  160.154   15.334   66.189   9.3377   68.834   10.796   58.335   18.602  169.997   13.589  150.311   27.494 19.68497 30.66898 
1 1 1    7    8   44 o  174.193   15.385   75.188   11.745   75.851   14.389   73.864   20.329  177.020   17.392  171.366   25.384 5.653915 30.77054 
1 1 1    7    8   45 o  255.745   19.426  165.001   21.874  161.046   26.737  173.008   38.041  254.761   22.456  256.728   31.705 -1.966980 38.85236 
1 1 1    7    8   46 o   77.766   14.763   13.272   4.9167   10.869   5.6541   20.723   9.9570   65.866   17.900   89.666   23.482 -23.79974 29.52680 
1 1 1    7    8   47 o  167.458   16.359   73.018   11.472   77.383   14.105   64.488   19.719  178.564   16.902  156.353   28.014 22.21111 32.71807 
1 1 1    7    8   48 o  130.058   16.611   46.538   8.9967   52.560   11.073   34.839   15.432  147.110   16.106  113.007   29.058 34.10342 33.22292 
1 1 1    7    8   49 o  131.057   15.159   42.978   8.6065   42.023   10.632   44.792   14.659  131.210   17.338  130.905   24.871 0.3042450 30.31742 
1 1 1    7    8   50 o   83.919   15.643   17.489   6.1799   13.686   7.9453   23.314   9.8328   73.200   21.685   94.637   22.552 -21.43744 31.28587 
1 1 1    7    8   51 o  116.943   18.054   33.465   9.8673   33.465   9.8673   0.0000   0.0000  116.943   18.054  ?   ?       ?      ? 
1 1 1    7    8   52 o   97.980   15.909   27.259   7.2809   33.804   9.0994   15.610   12.139  117.514   16.568   78.446   27.164 39.06778 31.81817 
1 1 1    7    8   53 o   65.273   15.691   10.518   5.9624   13.754   7.3498   4.2874   10.197   72.954   20.634   57.592   23.646 15.36231 31.38288 
1 1 1    7    8   54 o   83.999   16.072   17.696   6.5457   12.196   8.5028   25.697   10.256   69.417   22.731   98.581   22.726 -29.16456 32.14302 
1 1 1    7    8   55 o   53.182   16.245  -1.5960   7.4943   7.2924   11.847  -7.5253   9.6762   64.055   25.785   42.308   19.767 21.74779 32.48986 
1 1 1    7    8   57 o   68.304   24.833   11.529   10.256   11.529   10.256   0.0000   0.0000   68.304   24.833  ?   ?       ?      ? 
1 1 1    7    8   58 o   40.183   17.750  -0.9816   6.5440  -0.9816   6.5440   0.0000   0.0000   40.183   17.750  ?   ?       ?      ? 
1 1 1    7    8   59 o  116.915   15.850   38.301   8.4377   18.857   11.819   58.510   12.050   81.454   26.806  152.377   16.920 -70.92354 31.69970 
1 1 1    7    8   60 o   94.610   16.624   25.330   7.3022   23.817   9.9156   27.122   10.794   91.721   23.135   97.499   23.878 -5.778709 33.24751 
1 1 1    7    8   61 o   85.632   16.962   21.123   7.0401   20.872   9.5237   21.426   10.453   85.517   23.228   85.746   24.725 -0.2290192 33.92408 
1 1 1    7    8   62 o   35.487   11.997  -9.4452   5.2556 -13.1560   6.5762  -2.8851   8.7437   27.963   13.812   43.010   19.621 -15.04627 23.99486 
1 1 1    7    8   63 f   36.871   12.240  -6.6887   5.5907  -1.1747   7.4442 -13.8223   8.4672   40.985   18.459   32.756   16.080 8.228439 24.48070 
1 1 1    7    8   64 o   74.435   16.644   17.182   6.8684   21.494   8.8711   10.730   10.852   85.573   22.046   63.297   24.941 22.27594 33.28753 
1 1 1    7    8   65 o   66.828   16.688   12.334   5.8658   9.7544   6.8114   19.740   11.540   58.131   20.335   75.525   26.466 -17.39436 33.37635 
1 1 1    7    8   66 o   37.513   12.240  -3.5905   4.9982  -7.5083   6.5731   1.7804   7.6961   31.131   15.026   43.895   19.327 -12.76340 24.48037 
1 1 1    7    8   67 o   69.061   17.181   15.560   6.7650   23.843   11.247   10.865   8.4682   79.721   26.145   58.401   22.297 21.31994 34.36140 
1 1 1    7    8   68 o   64.602   14.158   11.868   5.0712   5.4614   6.5154   21.714   8.0770   46.964   19.045   82.241   20.955 -35.27732 28.31663 
1 1 1    7    8   69 o   40.496   18.360   0.8967   7.5069   0.0000   0.0000   0.8967   7.5069  ?   ?    40.496   18.360      ?      ? 
1 1 1    7    9    0 o  395.819   32.976  386.352   83.127  386.352   83.127  386.352   83.127  395.819   46.636  395.819   46.636 -0.000000 0.000000 
1 1 1    7    9    1 o  705.081   37.646  1211.63  123.458  1342.97  174.607  1080.33  174.585  744.930   50.154  665.231   56.155 79.69928 75.29161 
1 1 1    7    9    2 o  431.220   23.218  441.199   46.780  430.111   66.151  452.290   66.162  425.718   33.249  436.723   32.416 -11.00443 46.43574 
1 1 1    7    9    3 o  534.359   27.350  681.537   68.250  712.068   96.526  651.015   96.513  546.582   37.787  522.136   39.551 24.44568 54.70098 
1 1 1    7    9    4 o  389.565   21.012  361.181   37.882  418.731   53.592  303.714   53.553  421.150   27.228  357.980   32.010 63.17087 42.02402 
1 1 1    7    9    5 o  353.833   22.348  283.589   35.425  254.305   43.377  342.237   61.386  328.087   28.289  379.580   34.604 -51.49252 44.69565 
1 1 1    7    9    6 o  413.581   20.657  404.281   39.110  404.824   61.865  403.919   50.476  413.330   32.026  413.832   26.098 -0.5019531 41.31343 
1 1 1    7    9    7 o   90.632   8.7117   19.316   3.6686   16.972   5.2002   21.637   5.1762   85.125   13.071   96.139   11.520 -11.01366 17.42342 
1 1 1    7    9    8 o  174.510   12.268   67.385   8.8181   80.167   17.849   63.258   10.142  184.683   20.680  164.337   13.206 20.34567 24.53673 
1 1 1    7    9    9 o  304.353   23.557  233.920   27.910  193.525   55.881  247.346   32.216  284.361   42.049  324.346   21.253 -39.98453 47.11480 
1 1 1    7    9   10 o  555.433   35.945  741.335   80.709  756.584  161.486  736.257   93.182  554.430   62.323  556.437   35.832 -2.006775 71.88922 
1 1 1    7    9   11 o  272.657   19.225  176.361   23.018  172.897   39.888  178.090   28.185  270.158   31.593  275.156   21.917 -4.998047 38.45089 
1 1 1    7    9   12 o  307.015   14.563  226.197   20.211  201.176   31.955  242.880   26.092  292.306   23.391  321.724   17.354 -29.41721 29.12564 
1 1 1    7    9   13 o  753.701   39.157  1363.60  135.912  1268.43  175.461  1506.36  214.895  723.209   51.913  784.194   58.635 -60.98529 78.31383 
1 1 1    7    9   14 o  263.059   12.122  162.654   14.867  175.177   20.996  150.061   21.055  273.275   16.440  252.843   17.818 20.43173 24.24373 
1 1 1    7    9   15 o  227.473   13.946  118.189   14.241  133.620   24.323  110.140   17.566  238.312   21.838  216.635   17.350 21.67664 27.89171 
1 1 1    7    9   16 o  195.520   17.789   90.362   16.210   93.859   22.389   86.509   23.499  199.585   24.002  191.455   26.263 8.130417 35.57893 
1 1 1    7    9   17 f  414.667   25.784  420.146   47.698  277.823   67.099  565.523   67.815  340.477   42.169  488.856   29.683 -148.3790 51.56792 
1 1 1    7    9   18 o  454.466   50.159  500.418  106.536   0.0000   0.0000  500.418  106.536  ?   ?   454.466   50.159      ?      ? 
1 1 1    7    9   19 o  264.687   17.468  175.129   18.144  184.658   20.985  146.907   36.113  280.540   16.005  248.834   31.054 31.70564 34.93557 
1 1 1    7    9   20 o  419.875   25.266  431.607   42.306  441.477   48.876  402.120   84.480  432.311   24.191  407.439   44.366 24.87216 50.53270 
1 1 1    7    9   21 o  121.267   15.532   41.394   7.5247   50.057   9.0891   22.520   13.415  146.098   13.312   96.436   28.068 49.66159 31.06485 
1 1 1    7    9   22 o  625.830   37.834  942.358  110.658  942.358  110.658   0.0000   0.0000  625.830   37.834  ?   ?       ?      ? 
1 1 1    7    9   23 o  255.546   15.429  154.220   18.409  162.242   26.087  146.262   25.982  262.231   21.287  248.862   22.339 13.36945 30.85710 
1 1 1    7    9   24 o  782.214   45.588  1565.85  166.472  1643.48  235.417  1488.20  235.436  803.456   62.695  760.972   66.201 42.48340 91.17664 
1 1 1    7    9   25 o  122.708   15.177   38.694   7.5100   42.055   8.9581   30.745   13.776  133.832   14.322  111.584   26.762 22.24845 30.35351 
1 1 1    7    9   26 o  290.529   18.055  188.374   21.694  175.888   24.999  226.459   43.660  273.109   19.586  307.949   30.336 -34.83954 36.10922 
1 1 1    7    9   27 o   97.576   15.103   21.997   6.1454   20.245   7.2088   26.657   11.756   91.205   17.549  103.946   24.585 -12.74088 30.20582 
1 1 1    7    9   28 o   55.907   12.738   6.9190   4.1039   1.8962   6.3000   10.621   5.4089   45.862   18.680   65.953   17.324 -20.09076 25.47671 
1 1 1    7    9   29 o  214.235   11.704  104.358   11.513   84.566   14.825  134.430   18.274  189.502   16.740  238.968   16.362 -49.46576 23.40812 
1 1 1    7    9   30 o  209.335   11.307  101.787   10.907   95.113   14.106  111.711   17.201  201.023   15.014  217.648   16.911 -16.62492 22.61435 
1 1 1    7    9   31 o  216.850   11.907  110.144   11.872  105.523   15.329  117.071   18.768  211.418   15.514  222.282   18.066 -10.86467 23.81343 
1 1 1    7    9   32 o  154.090   11.661   56.120   8.3809   61.300   12.085   51.320   11.632  160.981   16.063  147.198   16.909 13.78305 23.32279 
1 1 1    7    9   33 o  284.612   16.243  200.633   20.680  222.952   26.706  167.209   32.682  306.270   18.658  262.954   26.594 43.31519 32.48618 
1 1 1    7    9   34 f  517.264   26.188  662.221   62.261  632.304   80.368  707.125   98.462  505.448   34.022  529.080   39.820 -23.63168 52.37527 
1 1 1    7    9   35 f  335.785   17.207  270.069   26.528  262.029   34.236  282.150   41.965  330.468   22.167  341.102   26.324 -10.63364 34.41438 
1 1 1    7    9   36 f  106.291   11.423   26.921   5.6497   28.371   7.7831   25.305   8.2140  109.422   15.220  103.161   17.037 6.260986 22.84514 
1 1 1    7    9   37 o  370.460   19.401  338.649   33.383  297.146   47.172  380.289   47.250  346.464   29.133  394.455   25.631 -47.99066 38.80275 
1 1 1    7    9   38 o  305.430   17.601  228.589   25.102  239.109   35.493  218.062   35.506  312.805   24.278  298.055   25.489 14.74985 35.20166 
1 1 1    7    9   39 o  236.150   21.099  139.470   23.281  142.334   33.348  136.747   32.516  238.470   29.922  233.829   29.755 4.640869 42.19854 
1 1 1    7    9   40 o  213.022   14.919  101.117   14.225   78.269   17.386  147.384   24.740  179.740   20.697  246.304   21.493 -66.56363 29.83784 
1 1 1    7    9   41 o  127.831   11.858   36.955   6.7149   32.709   8.1031   46.261   11.997  117.135   14.802  138.527   18.530 -21.39198 23.71650 
1 1 1    7    9   42 o  106.967   12.706   28.823   6.0030   36.881   8.3794   20.328   8.6041  124.325   14.422   89.611   20.924 34.71394 25.41282 
1 1 1    7    9   43 o  229.760   17.432  126.354   17.991  112.698   22.114  153.087   30.941  213.646   22.147  245.874   26.926 -32.22780 34.86445 
1 1 1    7    9   44 o  198.901   15.351   92.040   13.664   78.953   16.656  118.970   23.893  179.473   19.858  218.330   23.416 -38.85663 30.70218 
1 1 1    7    9   45 o  111.737   12.384   30.835   6.2479   35.189   8.7593   26.326   8.9146  121.033   15.485  102.440   19.329 18.59293 24.76707 
1 1 1    7    9   46 o   72.425   14.362   13.240   5.0528   12.258   6.9094   14.368   7.4081   69.722   20.101   75.128   20.519 -5.406700 28.72413 
1 1 1    7    9   47 o   73.843   15.384   12.936   5.2191   11.514   6.1293   16.685   9.9533   67.398   18.766   80.289   24.382 -12.89115 30.76742 
1 1 1    7    9   48 o  192.143   18.476  100.182   14.592   82.555   25.091  109.189   17.936  173.298   32.164  210.987   18.190 -37.68877 36.95174 
1 1 1    7    9   49 o  116.789   10.988   32.460   5.9416   29.003   7.7825   37.291   9.1996  109.545   15.201  124.032   15.871 -14.48649 21.97631 
1 1 1    7    9   50 o  131.758   15.048   43.083   8.5683   41.593   10.523   46.015   14.760  130.608   17.240  132.908   24.670 -2.299744 30.09684 
1 1 1    7    9   51 o   86.458   14.867   16.567   5.4552   12.840   6.3377   27.226   10.717   70.904   18.814  102.012   23.025 -31.10740 29.73450 
1 1 1    7    9   52 o   41.194   13.098  -2.0132   4.8104  -1.7815   5.6936  -2.5912   8.9923   36.689   16.362   45.700   20.458 -9.011112 26.19605 
1 1 1    7    9   53 o  100.676   14.415   23.264   6.1323   18.491   7.2580   35.171   11.464   84.905   18.788  116.446   21.868 -31.54128 28.83075 
1 1 1    7    9   54 o  135.234   16.691   49.146   9.7154   52.036   12.178   44.086   16.113  144.582   18.023  125.885   28.100 18.69692 33.38276 
1 1 1    7    9   55 o  171.019   19.588   79.690   15.654   80.521   22.362   78.892   21.921  171.755   27.858  170.283   27.545 1.471588 39.17641 
1 1 1    7    9   56 o  141.694   28.751   56.979   18.388   56.979   18.388   0.0000   0.0000  141.694   28.751  ?   ?       ?      ? 
1 1 1    7    9   57 o   33.022   15.326  -4.2108   5.6652  -4.2108   5.6652   0.0000   0.0000   33.022   15.326  ?   ?       ?      ? 
1 1 1    7    9   58 o   63.451   13.683   5.0726   5.2622  -3.6883   6.4639   22.290   9.0614   36.327   16.683   90.575   21.693 -54.24805 27.36604 
1 1 1    7    9   59 o   40.964   13.280 -10.1157   5.2377 -15.8913   6.1411   5.2974   10.032   25.087   12.546   56.842   23.409 -31.75539 26.55941 
1 1 1    7    9   60 o   95.947   19.929   28.191   9.4728   31.117   14.324   25.917   12.629   99.690   29.000   92.205   27.344 7.485153 39.85826 
1 1 1    7    9   61 o   56.678   14.593   4.8576   6.0599   15.216   8.4145  -6.3030   8.7343   73.525   22.438   39.831   18.664 33.69474 29.18558 
1 1 1    7    9   62 o   87.965   15.365   22.540   6.2327   23.671   8.0702   20.869   9.8116   92.575   19.279   83.356   23.930 9.218506 30.73017 
1 1 1    7    9   63 o   75.790   16.814   16.822   6.3133   15.095   7.6604   20.479   11.147   71.758   21.300   79.822   26.021 -8.064018 33.62712 
1 1 1    7    9   64 o   74.426   14.924   18.595   6.4580   24.805   7.6089   2.5987   12.213   95.068   17.779   53.783   23.976 41.28524 29.84841 
1 1 1    7    9   65 o   49.325   14.465   4.0066   5.4258   0.4787   6.8852   9.7871   8.8135   40.722   18.087   57.927   22.578 -17.20558 28.92947 
1 1 1    7    9   66 o   67.735   18.689   16.366   8.0344   15.424   9.3427   19.040   15.743   67.057   23.784   68.413   28.833 -1.356567 37.37720 
1 1 1    7    9   67 o   71.291   16.009   18.752   7.6103   27.426   9.3206   1.4029   13.181   92.350   21.923   50.232   23.335 42.11802 32.01817 
1 1 1    7    9   68 o   49.071   20.143   6.6716   7.3977   0.0000   0.0000   6.6716   7.3977  ?   ?    49.071   20.143      ?      ? 
1 1 1    7   10    0 o  220.897   13.611  116.878   19.524  116.878   19.524  116.878   19.524  220.897   19.248  220.897   19.248 -0.000000 0.000000 
1 1 1    7   10    1 o  467.591   22.306  526.080   47.518  659.610   67.236  392.831   67.166  528.628   27.215  406.555   35.350 122.0731 44.61234 
1 1 1    7   10    2 o  380.769   20.763  343.013   36.911  325.205   52.196  360.826   52.203  370.761   30.123  390.778   28.584 -20.01654 41.52672 
1 1 1    7   10    3 o  560.562   39.746  793.791   95.702  687.386  165.738  847.015  117.219  526.260   67.388  594.865   42.163 -68.60583 79.49117 
1 1 1    7   10    4 o  108.733   9.0736   27.684   4.6103   28.297   6.5669   27.088   6.4740  109.920   12.783  107.545   12.881 2.374969 18.14713 
1 1 1    7   10    5 o  318.639   17.240  239.520   25.618  221.576   36.230  257.461   36.227  306.590   25.285  330.688   23.441 -24.09793 34.47933 
1 1 1    7   10    6 o  321.424   13.992  235.178   20.690  294.663   32.785  195.809   26.672  354.150   19.808  288.699   19.768 65.45096 27.98476 
1 1 1    7   10    7 o  246.320   18.690  157.151   17.579  118.450   35.209  170.001   20.288  223.398   33.724  269.241   16.124 -45.84343 37.37996 
1 1 1    7   10    8 o  394.079   23.554  368.063   37.489  369.255   75.058  367.666   43.274  392.996   40.866  395.161   23.432 -2.165314 47.10735 
1 1 1    7   10    9 o  284.621   16.045  193.903   18.278  184.313   36.631  197.082   21.091  279.318   28.061  289.924   15.566 -10.60669 32.08923 
1 1 1    7   10   10 o  555.483   42.075  787.196  100.024  671.521  173.291  844.990  122.489  517.717   71.621  593.249   44.179 -75.53198 84.15080 
1 1 1    7   10   11 o  292.544   18.615  192.478   24.387  235.156   42.365  171.327   29.824  315.384   28.743  269.704   23.662 45.68024 37.22905 
1 1 1    7   10   12 o  391.023   24.821  365.098   42.643  359.084   73.809  368.112   52.246  387.410   40.766  394.635   28.328 -7.224884 49.64190 
1 1 1    7   10   13 o  502.061   31.103  622.242   62.061  572.243  123.975  638.961   71.690  484.471   54.755  519.651   29.519 -35.17999 62.20509 
1 1 1    7   10   14 o  872.718   63.305  2014.60  239.076  1885.75  414.033  2079.05  292.828  832.773  106.381  912.662   68.653 -79.88928 126.6107 
1 1 1    7   10   15 o  329.341   36.766  258.391   56.590   0.0000   0.0000  258.391   56.590  ?   ?   329.341   36.766      ?      ? 
1 1 1    7   10   16 o  250.702   20.479  148.992   23.915  135.155   33.809  162.851   33.834  238.884   30.283  262.520   27.577 -23.63622 40.95815 
1 1 1    7   10   17 o  792.633   59.387  1641.33  217.519  1897.48  307.765  1385.68  307.471  861.672   76.425  723.594   90.921 138.0776 118.7748 
1 1 1    7   10   18 o  309.164   21.504  225.261   31.071  225.261   31.071   0.0000   0.0000  309.164   21.504  ?   ?       ?      ? 
1 1 1    7   10   19 o  425.672   30.420  453.319   55.771  480.039   68.245  399.595   96.770  448.454   32.562  402.890   51.394 45.56363 60.84066 
1 1 1    7   10   20 o   75.138   16.347   12.373   6.4929   7.2520   8.6218   19.082   9.8689   61.954   22.732   88.321   23.498 -26.36637 32.69382 
1 1 1    7   10   21 o  263.918   19.195  177.035   21.252  197.098   25.938  136.056   37.070  289.304   19.184  238.531   33.254 50.77309 38.39035 
1 1 1    7   10   22 o  383.814   18.822  347.543   33.161  338.693   42.798  360.840   52.457  378.252   24.210  389.377   28.826 -11.12494 37.64430 
1 1 1    7   10   23 o   85.729   10.577   17.605   4.0900   17.914   5.4100   17.193   6.2484   87.379   13.248   84.078   16.491 3.300194 21.15316 
1 1 1    7   10   24 o  420.196   23.029  422.856   45.221  428.701   63.921  416.999   63.984  423.181   32.320  417.212   32.815 5.968872 46.05884 
1 1 1    7   10   25 f  466.247   26.839  496.000   56.146  425.973   68.680  637.084   97.485  420.694   34.932  511.800   40.756 -91.10645 53.67803 
1 1 1    7   10   26 o  206.591   17.283  104.630   15.321  110.381   18.639   92.655   26.898  216.339   18.435  196.843   29.239 19.49614 34.56555 
1 1 1    7   10   27 o  302.860   22.275  223.876   29.335  230.708   35.846  210.022   51.043  311.571   24.618  294.149   37.130 17.42117 44.54974 
1 1 1    7   10   28 o  370.671   21.529  329.658   37.258  346.498   52.716  312.850   52.665  380.378   29.654  360.964   31.219 19.41412 43.05785 
1 1 1    7   10   29 o  167.021   10.065   64.900   7.7050   62.022   9.8727   69.385   12.323  162.436   13.005  171.606   15.366 -9.170273 20.13049 
1 1 1    7   10   30 o  190.612   10.815   84.271   9.4848   77.738   12.202   94.244   15.076  181.557   14.381  199.666   16.156 -18.10834 21.62938 
1 1 1    7   10   31 o   51.170   9.9904   4.2525   3.1064  -2.1619   4.1252   12.654   4.7212   30.380   13.706   71.961   14.539 -41.58106 19.98076 
1 1 1    7   10   32 o  121.927   10.289   35.025   5.8248   29.824   8.0282   40.806   8.4641  112.325   15.293  131.530   13.769 -19.20522 20.57856 
1 1 1    7   10   33 o  281.710   17.490  193.623   22.555  236.918   31.880  150.229   31.916  314.637   21.680  248.782   27.450 65.85437 34.97941 
1 1 1    7   10   34 o  185.406   15.272   83.965   11.089   85.388   12.690   79.369   22.802  190.096   14.284  180.715   26.999 9.380783 30.54431 
1 1 1    7   10   35 o  210.794   11.745  104.481   11.380   99.833   14.675  111.494   18.023  205.237   15.299  216.350   17.825 -11.11302 23.49050 
1 1 1    7   10   36 o  112.755   10.032   30.487   5.1289   31.756   6.5886   28.536   8.1709  115.977   12.156  109.533   15.962 6.443611 20.06335 
1 1 1    7   10   37 o  104.762   15.419   28.892   6.6960   31.298   7.9053   22.781   12.597  114.768   14.739   94.755   27.088 20.01274 30.83799 
1 1 1    7   10   38 o  152.107   13.586   53.486   9.3359   47.786   11.565   64.148   15.817  141.293   17.514  162.921   20.774 -21.62769 27.17158 
1 1 1    7   10   39 o  333.311   24.759  286.219   36.248  285.508   44.486  287.623   62.526  338.294   28.138  328.328   40.748 9.966064 49.51895 
1 1 1    7   10   40 o  124.260   12.461   33.743   6.7184   24.597   8.1491   53.150   11.871   99.677   18.163  148.843   17.065 -49.16623 24.92148 
1 1 1    7   10   41 o  297.149   17.618  223.191   23.493  154.654   33.042  293.262   33.410  247.339   28.585  346.959   20.604 -99.62090 35.23629 
1 1 1    7   10   42 o  104.421   11.382   27.132   5.2026   28.948   6.6715   24.312   8.3112  110.255   12.947   98.587   18.723 11.66812 22.76377 
1 1 1    7   10   43 o   57.483   14.851   6.8043   4.5948   7.0107   5.1906   6.0568   9.8782   54.450   17.757   60.516   23.811 -6.066750 29.70292 
1 1 1    7   10   44 o  240.308   24.853  158.660   25.665  104.306   36.201  213.587   36.391  190.247   41.852  290.368   26.816 -100.1207 49.70635 
1 1 1    7   10   45 f  152.732   14.227   54.480   9.8010   47.233   12.088   68.388   16.746  139.180   18.583  166.283   21.549 -27.10231 28.45498 
1 1 1    7   10   46 o   98.286   15.034   23.314   6.9057   23.314   6.9057   0.0000   0.0000   98.286   15.034  ?   ?       ?      ? 
1 1 1    7   10   47 o  136.649   10.655   44.090   6.7214   38.366   8.7202   52.470   10.550  126.055   14.802  147.243   15.331 -21.18771 21.31085 
1 1 1    7   10   48 o  204.688   12.825  102.944   11.983  104.087   15.455  101.220   18.975  207.188   15.961  202.188   20.080 5.000305 25.65091 
1 1 1    7   10   49 o   89.045   15.945   19.256   5.9526   17.868   6.8490   23.540   12.035   84.009   17.987   94.081   26.332 -10.07185 31.88914 
1 1 1    7   10   50 o  164.155   11.169   64.079   8.4094   59.234   10.746   71.732   13.507  156.709   14.673  171.602   16.842 -14.89281 22.33718 
1 1 1    7   10   51 o   94.769   12.814   22.200   5.3949   18.972   6.9474   27.103   8.5625   86.261   17.823  103.278   18.415 -17.01711 25.62745 
1 1 1    7   10   52 o  156.394   12.282   60.216   8.9393   54.006   12.611   66.487   12.673  147.875   18.248  164.913   16.444 -17.03708 24.56358 
1 1 1    7   10   53 f   54.976   13.996   6.1229   4.6857   3.2032   6.2421   9.8920   7.0922   46.879   18.771   63.073   20.765 -16.19435 27.99188 
1 1 1    7   10   54 o   55.800   16.171   4.6461   6.4151   1.5582   11.899   5.9114   7.6168   56.711   24.510   54.888   21.101 1.823162 32.34207 
1 1 1    7   10   55 o   98.662   18.812   25.987   9.3634   40.861   14.244   14.669   12.425  121.754   25.832   75.570   27.355 46.18413 37.62491 
1 1 1    7   10   56 o   80.627   25.630   17.956   10.861   17.956   10.861   0.0000   0.0000   80.627   25.630  ?   ?       ?      ? 
1 1 1    7   10   57 o   74.525   16.564   15.087   6.2532   15.489   7.6320   14.267   10.907   75.861   20.872   73.190   25.726 2.670502 33.12766 
1 1 1    7   10   58 o   56.680   16.001   6.2105   6.2286   7.6701   7.4750   2.8953   11.266   57.380   21.149   55.980   24.018 1.400120 32.00246 
1 1 1    7   10   59 o   38.018   12.641  -6.1065   5.5323  -6.2369   6.9832  -5.8867   9.0661   34.902   16.459   41.134   19.190 -6.231789 25.28111 
1 1 1    7   10   60 o   36.662   12.500 -11.0216   5.9770 -13.6451   7.5044  -6.4703   9.8844   30.675   15.075   42.649   19.943 -11.97393 24.99977 
1 1 1    7   10   61 o   60.157   15.217  -1.4071   6.9799   23.409   11.309 -16.6773   8.8712   87.737   25.838   32.578   16.083 55.15876 30.43442 
1 1 1    7   10   62 o   80.362   18.162   20.460   7.6103   19.358   9.8648   22.080   11.961   78.866   24.334   81.858   26.967 -2.992073 36.32316 
1 1 1    7   10   63 o   34.505   11.909 -12.7918   6.2357 -13.0267   8.3917 -12.5021   9.3182   33.131   16.211   35.879   17.451 -2.748379 23.81885 
1 1 1    7   10   64 o   45.883   13.842  -1.5180   6.1375   9.9098   8.5172 -13.8617   8.8519   58.592   22.363   33.174   16.317 25.41795 27.68304 
1 1 1    7   10   65 o   48.051   14.111   0.8975   6.0862 -10.2547   8.5959   12.108   8.6185   34.432   16.751   61.670   22.712 -27.23792 28.22109 
1 1 1    7   10   66 f   52.684   15.408   7.3229   6.2602   9.5632   8.6813   4.8959   9.0358   56.073   22.239   49.296   21.332 6.777657 30.81631 
1 1 1    7   10   67 o   46.652   13.743   1.9213   5.7925  -8.7166   8.4453   11.372   7.9600   34.512   16.746   58.792   21.794 -24.28064 27.48503 
1 1 1    7   10   68 o   44.050   13.926   0.5710   6.6161 -12.4223   10.748   8.4993   8.3954   36.148   17.818   51.951   21.407 -15.80267 27.85232 
1 1 1    7   11    0 o  421.844   22.291  425.569   61.353  425.569   61.353  425.569   61.353  421.844   31.525  421.844   31.525 -0.000000 0.000000 
1 1 1    7   11    1 o  381.156   20.486  347.868   35.752  268.353   50.528  427.591   50.594  336.463   32.133  425.850   25.422 -89.38687 40.97289 
1 1 1    7   11    2 o  320.747   17.761  242.891   26.560  223.557   37.551  262.246   37.572  307.843   26.101  333.651   24.095 -25.80768 35.52231 
1 1 1    7   11    3 o  358.220   19.570  303.179   32.747  292.056   46.318  314.294   46.303  351.578   28.190  364.862   27.154 -13.28427 39.14091 
1 1 1    7   11    4 o  473.712   22.458  537.196   48.915  646.988   69.211  427.622   69.142  523.251   28.302  424.172   34.879 99.07965 44.91690 
1 1 1    7   11    5 o  295.049   14.975  204.048   20.252  208.082   32.070  201.371   26.119  297.293   23.082  292.805   19.087 4.487640 29.95099 
1 1 1    7   11    6 o  579.626   29.931  839.327   76.989  667.425  121.726  953.942   99.394  525.358   49.577  633.893   33.551 -108.5345 59.86292 
1 1 1    7   11    7 o  474.547   26.712  497.579   52.880  626.766  105.846  454.610   61.044  510.787   44.340  438.308   29.800 72.47891 53.42367 
1 1 1    7   11    8 f  216.678   17.800  118.869   14.941   95.904   29.948  126.480   17.240  201.126   31.861  232.230   15.885 -31.10382 35.60077 
1 1 1    7   11    9 o  421.728   32.860  422.083   64.765   0.0000   0.0000  422.083   64.765  ?   ?   421.728   32.860      ?      ? 
1 1 1    7   11   10 o  591.855   45.126  842.675  124.820   0.0000   0.0000  842.675  124.820  ?   ?   591.855   45.126      ?      ? 
1 1 1    7   11   11 o  568.805   41.426  774.771  110.123   0.0000   0.0000  774.771  110.123  ?   ?   568.805   41.426      ?      ? 
1 1 1    7   11   12 o  543.899   33.838  702.676   86.013   0.0000   0.0000  702.676   86.013  ?   ?   543.899   33.838      ?      ? 
1 1 1    7   11   13 o  194.402   15.266   90.352   13.375   62.162   18.624  120.374   19.220  162.385   24.541  226.418   18.163 -64.03346 30.53157 
1 1 1    7   11   14 o  791.752   55.273  1553.76  195.020  1776.30  337.753  1442.46  238.861  824.067   87.699  759.438   67.299 64.62921 110.5455 
1 1 1    7   11   15 o  526.422   36.685  695.900   83.435  625.283  144.592  731.151  102.159  500.949   61.760  551.894   39.608 -50.94479 73.36948 
1 1 1    7   11   16 o  627.698   42.742  1027.33  114.349  1107.96  140.088  866.363  197.944  675.798   44.355  579.598   73.076 96.19958 85.48327 
1 1 1    7   11   17 o  171.948   10.972   69.445   8.7848   61.841   12.265   77.455   12.588  162.244   16.176  181.652   14.828 -19.40820 21.94357 
1 1 1    7   11   18 o  372.184   26.623  330.743   43.723  340.669   75.834  325.800   53.513  374.621   43.314  369.746   30.968 4.875183 53.24584 
1 1 1    7   11   19 o  311.453   17.376  229.688   25.267  217.896   35.694  241.532   35.772  303.338   25.178  319.567   23.952 -16.22940 34.75109 
1 1 1    7   11   20 o  192.383   16.863   92.879   13.717   74.120   23.926  102.064   16.742  176.457   29.013  208.309   17.197 -31.85226 33.72642 
1 1 1    7   11   21 o  470.785   35.483  558.980   72.388  580.691   88.601  515.392  125.541  490.079   38.684  451.491   59.497 38.58841 70.96673 
1 1 1    7   11   22 o  102.056   17.423   25.907   8.2330   28.945   11.168   22.291   12.185  108.664   22.721   95.448   26.419 13.21603 34.84535 
1 1 1    7   11   23 o  171.721   18.651   73.982   13.563   39.029   18.773  112.150   19.618  125.336   31.953  218.105   19.246 -92.76897 37.30143 
1 1 1    7   11   24 o  478.210   26.169  506.217   55.921  381.723   68.382  757.559   97.163  397.132   36.844  559.287   37.173 -162.1549 52.33807 
1 1 1    7   11   25 o  259.472   17.308  151.760   20.071  133.977   24.465  188.361   35.100  237.833   22.011  281.110   26.717 -43.27698 34.61598 
1 1 1    7   11   26 o  119.937   14.315   34.702   7.2325   34.911   8.7395   34.248   12.884  121.834   15.349  118.040   24.168 3.794640 28.62980 
1 1 1    7   11   27 o  534.424   30.423  705.690   75.858  750.505  107.312  660.927  107.248  552.348   41.571  516.500   44.430 35.84729 60.84563 
1 1 1    7   11   28 o  370.301   23.264  316.372   38.618  275.405   47.222  399.096   67.103  337.352   29.951  403.249   35.606 -65.89673 46.52850 
1 1 1    7   11   29 o  572.332   42.677  910.131   95.026  931.424  109.703  846.142  190.173  610.716   38.436  533.948   76.209 76.76862 85.35311 
1 1 1    7   11   30 o  209.050   21.329  124.575   15.649  138.708   17.983   80.477   31.766  242.156   15.890  175.945   39.589 66.21088 42.65855 
1 1 1    7   11   31 o  110.098   11.287   28.505   5.8077   28.505   5.8077   0.0000   0.0000  110.098   11.287  ?   ?       ?      ? 
1 1 1    7   11   32 o  246.101   14.045  143.845   15.837  141.447   20.401  147.480   25.122  244.000   17.890  248.202   21.657 -4.201248 28.09096 
1 1 1    7   11   33 o  526.444   27.106  691.184   65.679  646.709   84.783  757.928  103.862  508.230   35.695  544.658   40.803 -36.42743 54.21265 
1 1 1    7   11   34 o  244.557   12.739  138.766   14.345  120.590   18.462  166.460   22.789  225.012   17.556  264.102   18.463 -39.08937 25.47789 
1 1 1    7   11   35 o   75.702   12.017   14.238   4.1537   15.791   5.8162   12.620   5.9341   80.096   16.096   71.308   17.848 8.788010 24.03409 
1 1 1    7   11   36 o   58.997   15.833   5.9902   6.0663   8.5162   8.8218   3.7242   8.3554   63.865   23.060   54.128   21.702 9.737495 31.66602 
1 1 1    7   11   37 o  272.830   23.444  181.548   29.892  181.548   29.892   0.0000   0.0000  272.830   23.444  ?   ?       ?      ? 
1 1 1    7   11   38 o  197.438   15.191   96.191   12.097   97.813   14.043   91.525   23.820  202.689   14.825  192.186   26.520 10.50252 30.38191 
1 1 1    7   11   39 o  113.934   12.519   31.395   6.1633   30.883   7.5908   32.384   10.558  113.904   14.260  113.964   20.581 -0.5977631E-01 25.03835 
1 1 1    7   11   40 o  264.809   20.116  178.336   23.364  173.006   40.110  181.074   28.744  258.155   33.245  271.464   22.656 -13.30933 40.23134 
1 1 1    7   11   41 o  181.063   11.225   78.891   9.2494   79.206   11.833   78.396   14.831  182.117   13.902  180.010   17.629 2.106842 22.45086 
1 1 1    7   11   42 o  157.825   12.477   55.729   8.2300   50.471   9.5046   71.485   16.452  145.206   14.006  170.444   20.654 -25.23822 24.95498 
1 1 1    7   11   43 o  160.484   15.824   67.882   9.4249   71.115   10.827   57.769   19.150  172.639   13.419  148.329   28.663 24.31009 31.64835 
1 1 1    7   11   44 o  202.099   19.475   99.959   18.394   99.959   18.394   0.0000   0.0000  202.099   19.475  ?   ?       ?      ? 
1 1 1    7   11   45 o  173.898   12.863   74.167   10.423   68.464   14.825   79.744   14.659  166.912   19.005  180.885   17.340 -13.97238 25.72642 
1 1 1    7   11   46 o  167.255   12.668   68.890   9.8431   61.711   14.091   75.732   13.755  158.189   19.060  176.321   16.693 -18.13165 25.33648 
1 1 1    7   11   47 o   92.213   13.493   22.341   5.8122   32.875   8.1059   11.193   8.3385  116.723   14.859   67.702   22.527 49.02121 26.98646 
1 1 1    7   11   48 o   51.481   14.820   2.4241   5.4186   6.5143   9.1932   0.2467   6.7076   59.657   23.113   43.305   18.555 16.35180 29.63989 
1 1 1    7   11   49 o   74.851   14.937   14.364   5.4537   14.758   7.7162   13.971   7.7092   75.813   21.037   73.888   21.212 1.925621 29.87467 
1 1 1    7   11   50 f   61.334   14.066   9.3229   4.5829   9.8923   5.9253   8.4749   7.2303   62.567   18.770   60.101   20.955 2.466583 28.13255 
1 1 1    7   11   51 o   79.409   16.091   14.927   5.5857   13.294   6.3971   20.167   11.459   71.957   18.811   86.860   26.113 -14.90395 32.18282 
1 1 1    7   11   52 o   45.752   13.355   1.9955   4.5834   1.0066   6.0034   3.3774   7.0968   42.171   17.791   49.333   19.922 -7.161316 26.70975 
1 1 1    7   11   53 f  279.773   18.144  208.094   23.707  200.571   33.571  215.578   33.484  273.984   26.218  285.562   25.090 -11.57755 36.28841 
1 1 1    7   11   54 o   87.099   19.213   20.694   9.1050   28.952   12.927   12.564   12.827  101.588   26.829   72.611   27.508 28.97722 38.42550 
1 1 1    7   11   55 f   71.407   17.772   12.181   6.7132   10.778   7.8295   16.077   13.045   65.005   21.831   77.810   28.050 -12.80527 35.54449 
1 1 1    7   11   56 o   91.099   17.237   23.214   6.9892   23.644   8.1495   22.020   13.590   94.930   19.032   87.267   28.746 7.662239 34.47485 
1 1 1    7   11   57 o   75.759   17.488   14.827   6.5956   13.312   7.7790   18.703   12.440   70.357   21.592   81.160   27.517 -10.80315 34.97678 
1 1 1    7   11   58 o   56.701   13.585   6.3682   5.5173   14.881   6.9778  -7.8313   9.0120   74.000   19.792   39.401   18.616 34.59854 27.17089 
1 1 1    7   11   59 o   90.518   15.615   24.136   6.7104   28.172   8.3706   16.877   11.225  104.786   17.093   76.250   26.137 28.53554 31.23033 
1 1 1    7   11   60 o   87.473   17.664   22.618   7.5612   22.133   10.255   23.195   11.193   86.908   24.300   88.038   25.643 -1.129753 35.32748 
1 1 1    7   11   61 f   73.285   14.756   15.471   6.6335   26.878   8.8067   0.5117   10.085   97.820   19.940   48.750   21.756 49.06938 29.51142 
1 1 1    7   11   62 o   79.686   15.112   16.985   5.9076   10.217   7.4991   28.055   9.5909   60.688   21.331   98.684   21.411 -37.99675 30.22331 
1 1 1    7   11   63 o   62.105   16.323   10.785   6.4140   7.1145   8.6378   15.295   9.5760   54.525   21.993   69.685   24.127 -15.16000 32.64635 
1 1 1    7   11   64 o   47.072   14.524   2.8493   6.0539   4.6685   8.6108   1.0711   8.5130   49.495   21.111   44.650   19.952 4.844852 29.04753 
1 1 1    7   11   65 o   63.357   16.764   12.626   6.8987   6.9339   9.1535   20.110   10.496   52.395   22.029   74.320   25.275 -21.92479 33.52756 
1 1 1    7   11   66 o   40.582   13.019  -0.9727   5.4888   3.2517   7.7563  -5.2103   7.7684   45.288   19.681   35.876   17.048 9.411427 26.03790 
1 1 1    7   11   67 o   34.181   11.531  -5.0357   5.1589  -7.6249   7.7838  -3.0074   6.8894   33.254   16.122   35.108   16.491 -1.853973 23.06244 
1 1 1    7   12    0 o  464.190   38.416  533.855  113.637  533.855  113.637  533.855  113.637  464.190   54.328  464.190   54.328 -0.000000 0.000000 
1 1 1    7   12    1 o  515.550   27.514  635.199   66.206  598.225   93.616  672.194   93.643  500.201   40.046  530.898   37.742 -30.69641 55.02850 
1 1 1    7   12    2 o  215.888   15.070  107.000   14.498  118.237   25.071  101.355   17.771  224.014   23.947  207.762   18.302 16.25272 30.14061 
1 1 1    7   12    3 f  644.986   36.550  934.845  105.795  1315.76  183.337  744.684  129.538  735.389   53.345  554.583   49.979 180.8055 73.09958 
1 1 1    7   12    4 o  468.166   29.010  505.594   60.714  590.015  105.183  463.411   74.351  495.139   45.454  441.193   36.059 53.94620 58.02037 
1 1 1    7   12    5 o  569.137   31.848  726.025   75.438  899.726  150.980  668.232   87.088  608.231   53.114  530.043   35.156 78.18726 63.69519 
1 1 1    7   12    6 o  235.098   16.552  130.532   15.685  129.462   31.450  130.886   18.097  233.986   28.760  236.211   16.393 -2.225189 33.10423 
1 1 1    7   12    7 o  300.801   23.703  213.141   33.321   0.0000   0.0000  213.141   33.321  ?   ?   300.801   23.703      ?      ? 
1 1 1    7   12    8 o  392.134   43.365  369.105   79.472   0.0000   0.0000  369.105   79.472  ?   ?   392.134   43.365      ?      ? 
1 1 1    7   12    9 o  474.402   52.407  547.165  116.193   0.0000   0.0000  547.165  116.193  ?   ?   474.402   52.407      ?      ? 
1 1 1    7   12   10 f  841.977  101.293  1916.47  398.586   0.0000   0.0000  1916.47  398.586  ?   ?   841.977  101.293      ?      ? 
1 1 1    7   12   11 o  768.872   66.668  1582.73  239.124  1487.00  338.247  1678.37  338.097  742.218   97.512  795.527   90.938 -53.30853 133.3353 
1 1 1    7   12   12 o  497.297   42.149  617.296   97.196  534.258  137.538  700.135  137.374  461.592   63.756  533.001   55.148 -71.40939 84.29813 
1 1 1    7   12   13 o  319.746   27.012  246.625   40.140  218.142   56.896  274.850   56.638  300.752   40.479  338.741   35.777 -37.98972 54.02333 
1 1 1    7   12   14 o  434.948   23.363  454.525   47.028  382.614   66.438  526.735   66.576  399.507   35.584  470.388   30.284 -70.88058 46.72637 
1 1 1    7   12   15 o  300.321   17.007  213.906   23.739  187.739   33.469  240.397   33.676  281.573   25.434  319.069   22.584 -37.49573 34.01306 
1 1 1    7   12   16 o  688.266   47.685  1219.84  143.098  1237.64  175.218  1184.18  247.970  707.283   53.008  669.248   79.281 38.03473 95.36958 
1 1 1    7   12   17 o  414.387   24.068  412.116   46.450  450.774   65.701  373.484   65.679  434.340   32.367  394.434   35.630 39.90613 48.13586 
1 1 1    7   12   18 o  595.367   28.692  859.481   79.786  825.967  112.818  893.013  112.850  583.322   41.383  607.412   39.754 -24.08978 57.38412 
1 1 1    7   12   19 f  716.112   59.110  1440.91  178.824  1547.29  218.993  1228.04  309.790  781.678   59.946  650.546  101.894 131.1317 118.2192 
1 1 1    7   12   20 o  351.101   20.771  294.194   34.016  273.118   48.063  315.345   48.149  338.240   30.405  363.962   28.307 -25.72150 41.54206 
1 1 1    7   12   21 o  161.742   12.673   58.214   9.1187   72.757   16.139   51.394   11.052  175.636   19.662  147.847   15.995 27.78857 25.34600 
1 1 1    7   12   22 o  267.386   22.542  174.894   27.139  121.720   38.158  229.329   38.608  224.369   36.390  310.404   26.614 -86.03453 45.08310 
1 1 1    7   12   23 o  300.467   24.575  214.531   34.509  214.531   34.509   0.0000   0.0000  300.467   24.575  ?   ?       ?      ? 
1 1 1    7   12   24 o  453.712   52.072  517.121  110.416  517.121  110.416   0.0000   0.0000  453.712   52.072  ?   ?       ?      ? 
1 1 1    7   12   25 o  306.848   25.568  228.816   36.555  247.909   51.600  209.579   51.794  320.234   34.478  293.463   37.764 26.77133 51.13568 
1 1 1    7   12   26 o  345.752   28.111  295.890   45.256  267.541   63.894  324.431   64.110  328.182   41.658  363.323   37.756 -35.14053 56.22211 
1 1 1    7   12   27 o   98.877   12.605   22.209   4.7437   21.133   5.3388   26.245   10.338   94.790   12.051  102.965   22.142 -8.174126 25.20933 
1 1 1    7   12   28 o  301.202   15.753  217.092   21.703  217.359   27.994  216.691   34.362  302.161   19.823  300.243   24.488 1.917572 31.50634 
1 1 1    7   12   29 o  364.169   19.118  317.382   32.017  301.380   41.309  341.455   50.667  353.729   24.988  374.610   28.940 -20.88071 38.23550 
1 1 1    7   12   30 o  156.676   14.261   59.016   8.6328   59.401   9.7956   57.677   18.268  158.736   13.204  154.616   25.281 4.120850 28.52165 
1 1 1    7   12   31 o  458.425   26.588  528.567   56.887  499.070   80.455  558.057   80.445  444.657   38.716  472.193   36.453 -27.53625 53.17660 
1 1 1    7   12   32 o  137.522   10.935   47.253   6.6029   54.587   8.4781   35.944   10.527  152.214   11.918  122.830   18.338 29.38368 21.87066 
1 1 1    7   12   33 o  343.587   17.383  286.286   27.336  284.477   35.256  289.013   43.287  343.547   21.958  343.627   26.954 -0.8062744E-01 34.76651 
1 1 1    7   12   34 o  147.017   17.345   53.496   11.591   46.819   16.190   60.517   16.602  136.042   26.416  157.991   22.485 -21.94893 34.68999 
1 1 1    7   12   35 o  196.276   14.516   92.503   12.471   91.600   15.167   94.386   21.913  195.898   16.566  196.654   23.843 -0.7557068 29.03288 
1 1 1    7   12   36 o  123.274   14.487   36.112   8.3463   36.112   8.3463   0.0000   0.0000  123.274   14.487  ?   ?       ?      ? 
1 1 1    7   12   37 o  178.653   12.512   73.810   9.2464   70.726   10.714   82.812   18.304  172.648   13.278  184.657   21.210 -12.00894 25.02379 
1 1 1    7   12   38 o  183.449   17.535   83.125   15.032   84.738   21.380   81.548   21.140  185.251   24.695  181.648   24.902 3.602631 35.07068 
1 1 1    7   12   39 o  147.839   11.678   52.477   8.0670   51.150   11.299   53.857   11.521  145.920   16.569  149.758   16.461 -3.837936 23.35580 
1 1 1    7   12   40 o  184.615   11.371   80.586   9.6331   74.936   12.330   89.439   15.433  176.826   14.920  192.405   17.163 -15.57899 22.74170 
1 1 1    7   12   41 o  182.021   11.644   80.886   9.5953   83.854   12.292   76.256   15.352  187.148   14.054  176.894   18.570 10.25436 23.28847 
1 1 1    7   12   42 o   82.456   16.977   17.393   6.9407   17.939   9.5962   16.794   10.051   83.660   23.548   81.252   24.462 2.408340 33.95430 
1 1 1    7   12   43 o   94.508   14.882   27.912   5.9603   33.143   6.7789   10.092   12.512  117.982   12.294   71.033   27.107 46.94963 29.76441 
1 1 1    7   12   44 o  230.173   19.613  140.463   19.366  146.743   23.646  127.667   33.751  243.170   20.806  217.175   33.253 25.99530 39.22594 
1 1 1    7   12   45 o  232.099   14.702  134.603   15.846  118.111   22.406  151.105   22.412  216.893   22.104  247.305   19.391 -30.41286 29.40459 
1 1 1    7   12   46 o   59.322   13.717   8.8945   4.6150   11.737   5.3660   0.8171   9.0453   68.146   16.925   50.498   21.590 17.64766 27.43352 
1 1 1    7   12   47 o  114.509   10.842   31.171   5.7164   28.760   7.3689   34.814   9.0586  109.265   14.430  119.753   16.186 -10.48849 21.68432 
1 1 1    7   12   48 o   49.211   13.051   2.2077   4.6217   9.5614   6.7511  -4.2784   6.3403   62.587   20.240   35.836   16.482 26.75079 26.10173 
1 1 1    7   12   49 f  174.890   11.976   76.081   9.5126   80.097   12.323   70.159   14.964  181.800   14.504  167.979   19.061 13.82095 23.95178 
1 1 1    7   12   50 o   75.288   13.381   13.248   4.8984   7.0300   6.2731   22.963   7.8410   55.534   19.510   95.041   18.317 -39.50708 26.76139 
1 1 1    7   12   51 f   52.793   14.572   4.8182   5.2170   6.1503   7.4733   3.5519   7.2863   55.452   21.000   50.133   20.207 5.318672 29.14319 
1 1 1    7   12   52 o   80.766   13.287   17.031   5.8535   2.9475   8.5146   29.651   8.0603   51.648   21.444  109.885   15.695 -58.23712 26.57450 
1 1 1    7   12   53 o   51.908   20.435   4.7323   7.2795   0.0000   0.0000   4.7323   7.2795  ?   ?    51.908   20.435      ?      ? 
1 1 1    7   12   54 o  135.021   27.403   51.186   16.701   0.0000   0.0000   51.186   16.701  ?   ?   135.021   27.403      ?      ? 
1 1 1    7   12   55 o  109.886   15.574   30.968   7.0998   29.413   8.3343   35.083   13.556  108.531   16.431  111.242   26.460 -2.710861 31.14704 
1 1 1    7   12   56 o   70.712   14.176   13.532   5.1665   18.057   6.9988   8.1135   7.6589   82.766   18.552   58.658   21.440 24.10802 28.35223 
1 1 1    7   12   57 f   53.136   13.956   3.2809   5.0320   12.976   8.1502  -2.6916   6.3968   69.117   22.227   37.154   16.885 31.96268 27.91262 
1 1 1    7   12   58 o   77.394   16.463   16.039   7.0647   6.9185   9.6174   26.729   10.412   57.973   23.269   96.814   23.294 -38.84009 32.92522 
1 1 1    7   12   59 o   69.561   15.408   13.611   5.5063   14.638   6.7471   11.562   9.5277   73.225   19.404   65.897   23.939 7.327797 30.81550 
1 1 1    7   12   60 o   56.511   15.506   7.6469   5.8190   7.6384   8.9249   7.6532   7.6744   57.156   22.587   55.866   21.251 1.289505 31.01235 
1 1 1    7   12   61 o   44.371   13.300   0.7627   5.3143  -8.1372   8.5274   6.4140   6.7952   36.867   17.614   51.875   19.933 -15.00801 26.60053 
1 1 1    7   12   62 o   95.906   14.946   26.703   6.5449   31.444   9.3942   22.231   9.1235  105.666   19.749   86.147   22.438 19.51843 29.89145 
1 1 1    7   12   63 o   60.798   14.281   10.449   5.7591  -0.4653   8.8571   18.444   7.5803   43.685   19.858   77.911   20.530 -34.22579 28.56289 
1 1 1    7   12   64 o   45.862   14.852  -7.6355   6.5333   13.586   12.453 -15.6951   7.6743   62.978   26.023   28.746   14.321 34.23223 29.70388 
1 1 1    7   12   65 o   46.927   12.934   3.2106   5.1280   11.268   6.5714  -9.3367   8.2005   60.097   19.998   33.758   16.408 26.33930 25.86810 
1 1 1    7   12   66 o   69.645   22.921   17.323   8.6412   17.323   8.6412   0.0000   0.0000   69.645   22.921  ?   ?       ?      ? 
1 1 1    7   13    5 o  710.487   82.485  1311.66  273.889   0.0000   0.0000  1311.66  273.889  ?   ?   710.487   82.485      ?      ? 
1 1 1    7   13    6 o  174.627   16.609   72.370   13.459   63.405   19.219   80.997   18.854  163.834   25.101  185.421   21.757 -21.58652 33.21776 
1 1 1    7   13    7 o  238.567   18.453  137.140   19.863  179.907   28.331   95.792   27.857  276.266   21.943  200.868   29.674 75.39709 36.90590 
1 1 1    7   13    8 o  330.078   37.127  261.307   57.272   0.0000   0.0000  261.307   57.272  ?   ?   330.078   37.127      ?      ? 
1 1 1    7   13    9 o  282.822   23.302  191.090   30.774  183.190   43.661  198.889   43.383  276.863   33.743  288.780   32.145 -11.91614 46.60336 
1 1 1    7   13   10 o  354.949   29.978  307.575   49.087  253.049   69.479  361.911   69.358  322.126   46.152  387.773   38.272 -65.64685 59.95598 
1 1 1    7   13   11 o  523.352   32.148  653.577   74.734  712.189  129.432  624.263   91.533  537.549   51.520  509.155   38.467 28.39420 64.29652 
1 1 1    7   13   12 o  208.182   16.010  111.118   12.875   86.472   25.616  119.448   14.893  190.739   28.737  225.624   14.124 -34.88542 32.02007 
1 1 1    7   13   13 o  249.567   18.583  152.303   20.082  134.584   34.673  161.248   24.635  237.561   31.230  261.572   20.152 -24.01083 37.16696 
1 1 1    7   13   14 o  285.628   16.815  193.211   22.383  175.639   31.510  211.107   31.799  272.359   24.755  298.896   22.764 -26.53772 33.63094 
1 1 1    7   13   15 f  223.949   12.682  120.904   12.839  105.046   20.130  131.778   16.670  211.031   20.411  236.867   15.059 -25.83577 25.36464 
1 1 1    7   13   16 o  754.125   42.134  1438.76  148.419  1388.89  209.852  1488.68  209.941  739.981   60.681  768.268   58.471 -28.28723 84.26752 
1 1 1    7   13   17 o  349.346   19.413  290.686   31.597  264.057   44.587  317.551   44.784  332.977   28.652  365.715   26.202 -32.73776 38.82626 
1 1 1    7   13   18 o  230.469   16.393  123.984   16.686  130.941   29.107  120.579   20.364  234.771   26.528  226.167   19.266 8.604004 32.78621 
1 1 1    7   13   19 o  203.885   17.826  101.077   15.752   91.920   27.381  105.606   19.257  196.175   29.865  211.594   19.473 -15.41919 35.65278 
1 1 1    7   13   20 o  475.224   54.697  570.458  121.479   0.0000   0.0000  570.458  121.479  ?   ?   475.224   54.697      ?      ? 
1 1 1    7   13   21 o  281.188   23.292  193.054   29.802  143.131   41.945  243.947   42.350  242.868   36.954  319.507   28.362 -76.63857 46.58334 
1 1 1    7   13   22 o  402.851   33.964  407.765   62.596  497.891   88.504  317.556   88.544  450.749   42.013  354.954   53.376 95.79501 67.92735 
1 1 1    7   13   23 o  384.254   31.174  364.608   55.980  368.538   79.111  360.666   79.225  386.462   43.801  382.047   44.371 4.415314 62.34876 
1 1 1    7   13   24 o   75.449   14.284   13.389   4.7188   14.982   9.1068   12.805   5.5172   78.655   23.193   72.243   16.679 6.411423 28.56708 
1 1 1    7   13   25 o  164.495   11.639   60.201   8.5196   76.566   15.095   52.551   10.321  179.743   17.969  149.247   14.797 30.49622 23.27709 
1 1 1    7   13   26 o  370.623   31.048  350.327   53.771  343.568   75.964  357.113   76.124  366.749   44.320  374.498   43.494 -7.748962 62.09632 
1 1 1    7   13   27 o  356.498   20.529  310.121   34.019  273.978   48.044  346.466   48.178  334.765   30.708  378.231   27.255 -43.46640 41.05900 
1 1 1    7   13   28 o  113.104   10.439   30.075   5.5041   27.506   7.5070   33.062   8.0941  107.895   14.887  118.314   14.638 -10.41903 20.87865 
1 1 1    7   13   29 o  104.240   11.219   26.019   5.3033   22.028   7.3164   30.438   7.6981   94.975   17.113  113.505   14.512 -18.52911 22.43756 
1 1 1    7   13   30 o  119.018   13.218   29.995   6.7408   22.652   7.9927   48.085   12.545   96.001   18.485  142.036   18.898 -46.03481 26.43566 
1 1 1    7   13   31 o  194.342   13.464   91.048   12.036  109.464   17.054   72.770   16.990  214.535   17.009  174.150   20.874 40.38414 26.92701 
1 1 1    7   13   32 o  267.939   14.729  171.237   18.122  164.542   23.347  181.382   28.741  262.054   19.063  273.825   22.459 -11.77100 29.45870 
1 1 1    7   13   33 o   85.581   17.423   18.494   7.4218   21.313   10.049   15.110   11.009   91.861   23.355   79.301   25.860 12.56046 34.84520 
1 1 1    7   13   34 o  114.275   13.519   33.795   6.4425   37.527   7.9521   26.668   10.990  125.823   13.523  102.728   23.413 23.09531 27.03809 
1 1 1    7   13   35 o   77.887   24.234   14.898   9.7612   14.898   9.7612   0.0000   0.0000   77.887   24.234  ?   ?       ?      ? 
1 1 1    7   13   36 o   78.997   12.880   14.799   4.7552   14.799   4.7552   0.0000   0.0000   78.997   12.880  ?   ?       ?      ? 
1 1 1    7   13   37 o   83.578   16.048   17.247   6.0406   17.247   6.0406   0.0000   0.0000   83.578   16.048  ?   ?       ?      ? 
1 1 1    7   13   38 o  285.431   20.939  204.716   26.330  198.137   32.134  218.154   45.928  282.488   24.340  288.374   34.079 -5.886536 41.87849 
1 1 1    7   13   39 o  215.827   14.252  114.134   14.323  102.408   20.080  126.282   20.438  204.083   21.052  227.570   19.217 -23.48755 28.50413 
1 1 1    7   13   40 o  180.538   11.024   78.033   9.0881   76.492   11.628   80.452   14.568  178.796   13.916  182.281   17.101 -3.484467 22.04786 
1 1 1    7   13   41 o  164.545   10.992   64.339   8.2894   61.560   10.628   68.655   13.245  160.439   14.175  168.651   16.804 -8.211777 21.98392 
1 1 1    7   13   42 o  197.501   13.588   88.329   11.112   80.801   12.785  111.571   22.466  183.362   14.920  211.640   22.714 -28.27846 27.17543 
1 1 1    7   13   43 f  250.139   25.466  186.369   25.105  210.582   30.703  137.524   43.609  289.517   22.692  210.760   45.599 78.75703 50.93295 
1 1 1    7   13   44 o  101.091   15.594   31.081   7.3387   11.055   12.856   40.759   8.9379   72.234   27.498  129.949   14.717 -57.71510 31.18887 
1 1 1    7   13   45 o  156.204   11.956   59.473   8.6730   68.069   12.435   51.329   12.103  167.582   15.877  144.827   17.881 22.75421 23.91276 
1 1 1    7   13   46 o   61.897   12.298   10.290   4.1359   14.479   5.0861   2.1138   7.1061   76.291   14.799   47.503   19.646 28.78786 24.59620 
1 1 1    7   13   47 o   70.663   14.142   9.2740   4.6000   5.1769   5.2973   21.835   9.2753   49.524   17.872   91.801   21.921 -42.27726 28.28308 
1 1 1    7   13   48 o   72.083   13.490   13.309   4.5313   13.180   5.7682   13.515   7.3229   71.857   17.369   72.309   20.647 -0.4525299 26.98067 
1 1 1    7   13   49 f   74.574   15.594   11.552   4.9979   9.0225   5.6124   21.243   10.986   60.061   18.324   89.087   25.237 -29.02612 31.18754 
1 1 1    7   13   50 o   52.142   14.245   5.1540   4.6647   6.2051   5.4325   2.2035   9.1016   52.130   18.165   52.155   21.949 -0.2493668E-01 28.49079 
1 1 1    7   13   51 o   74.804   14.828   14.788   5.4042   13.388   8.0467   15.939   7.2940   71.594   21.958   78.013   19.932 -6.419006 29.65600 
1 1 1    7   13   52 f   58.912   14.867   8.0133   5.2361   5.8934   7.4708   10.060   7.3407   54.512   20.912   63.312   21.139 -8.800373 29.73476 
1 1 1    7   13   53 o  143.447   19.145   57.075   12.455   44.525   17.323   70.506   17.921  123.400   30.267  163.493   23.454 -40.09290 38.29092 
1 1 1    7   13   54 o   50.252   14.751  -1.1084   5.5659  -5.9511   6.6322   10.426   10.236   34.446   16.180   66.057   24.669 -31.61134 29.50189 
1 1 1    7   13   55 o   52.807   13.932   5.7335   4.8657   9.0326   6.4367   1.3345   7.4325   59.621   19.790   45.994   19.615 13.62682 27.86387 
1 1 1    7   13   56 o   78.172   13.624   16.123   5.2260   8.8662   7.1469   24.462   7.6613   59.459   20.829   96.885   17.567 -37.42603 27.24751 
1 1 1    7   13   57 o   61.569   14.020   9.9128   4.6961   13.057   6.7555   6.9726   6.5327   69.096   19.862   54.043   19.793 15.05352 28.04096 
1 1 1    7   13   58 o   33.291   11.104  -6.7041   4.6121  -2.8520   6.3518 -11.0004   6.7079   36.618   16.712   29.964   14.625 6.653898 22.20776 
1 1 1    7   13   59 o   65.265   16.674   9.4896   6.9631   20.255   10.884   2.0303   9.0598   81.319   25.636   49.212   21.328 32.10707 33.34826 
1 1 1    7   13   60 o   48.760   14.295   3.5140   5.2160   7.2300   8.5302   1.2947   6.5920   55.282   22.007   42.238   18.249 13.04353 28.58929 
1 1 1    7   13   61 o   78.421   12.525   13.087   5.4484   34.621   9.0764   0.9563   6.8123  114.467   16.967   42.376   18.430 72.09068 25.05049 
1 1 1    7   13   62 o   64.043   16.328   12.743   6.2465   10.967   8.4521   14.880   9.2726   60.345   22.440   67.742   23.725 -7.396873 32.65649 
1 1 1    7   13   63 o   74.054   12.244   10.836   5.5255  -2.7499   6.9017   35.089   9.2214   36.526   16.939  111.582   17.683 -75.05539 24.48756 
1 1 1    7   13   64 o   71.304   20.432   16.077   7.1587   16.077   7.1587   0.0000   0.0000   71.304   20.432  ?   ?       ?      ? 
1 1 1    7   13   65 o   59.251   16.614   7.7315   6.4517   1.6749   7.5613   23.946   12.372   42.460   18.901   76.041   27.327 -33.58046 33.22700 
1 1 1    7   13   66 o   37.164   12.722  -6.8909   6.6735  -6.5004   8.6527  -7.4642   10.484   35.819   17.276   38.510   18.680 -2.691189 25.44381 
1 1 1    7   14    0 o  557.297   46.701  786.012  165.655  786.012  165.655  786.012  165.655  557.297   66.045  557.297   66.045 -0.000000 0.000000 
1 1 1    7   14    1 o  138.114   14.559   44.967   9.3947   46.423   13.322   43.527   13.251  140.354   20.310  135.874   20.867 4.479874 29.11873 
1 1 1    7   14    2 o  527.515   42.256  700.592  103.399  792.648  146.261  608.619  146.196  564.829   55.408  490.200   63.815 74.62939 84.51212 
1 1 1    7   14    3 o  542.132   43.160  759.784  103.226  1029.09  146.076  491.152  145.891  648.267   48.215  435.996   71.599 212.2717 86.31930 
1 1 1    7   14    4 o  175.266   17.217   82.851   11.861   52.532   20.391   98.355   14.582  145.863   30.875  204.669   15.245 -58.80649 34.43370 
1 1 1    7   14    5 o  248.839   17.433  143.670   19.278  155.642   33.387  137.682   23.612  256.032   27.903  241.647   20.908 14.38493 34.86686 
1 1 1    7   14    6 o  568.789   38.184  809.967   94.753  775.476  164.092  827.220  116.057  553.441   63.441  584.137   42.512 -30.69647 76.36813 
1 1 1    7   14    7 o  372.718   27.343  329.683   47.629   0.0000   0.0000  329.683   47.629  ?   ?   372.718   27.343      ?      ? 
1 1 1    7   14    8 o  402.923   30.945  387.018   58.271   0.0000   0.0000  387.018   58.271  ?   ?   402.923   30.945      ?      ? 
1 1 1    7   14    9 o  560.595   39.552  797.248   96.220  741.072  166.636  825.348  117.852  538.445   66.219  582.744   43.273 -44.29877 79.10474 
1 1 1    7   14   10 f  433.165   32.517  491.738   58.915  372.574  101.968  551.452   72.182  385.971   56.529  480.360   32.153 -94.38882 65.03309 
1 1 1    7   14   11 o  232.952   15.571  133.841   14.310  117.514   28.630  139.278   16.522  222.348   27.552  243.557   14.515 -21.20857 31.14138 
1 1 1    7   14   12 o  270.772   18.411  176.082   20.022  169.854   40.009  178.163   23.126  266.449   32.129  275.096   17.988 -8.647369 36.82173 
1 1 1    7   14   13 o  205.069   14.496   97.370   12.106  103.068   24.282   95.485   13.966  208.511   24.918  201.627   14.821 6.883652 28.99279 
1 1 1    7   14   14 o  204.250   12.281   99.251   11.576  114.638   16.143   82.962   16.609  220.862   15.640  187.638   18.940 33.22417 24.56280 
1 1 1    7   14   15 o  449.207   25.555  486.188   53.650  487.362   75.798  485.010   75.946  449.781   36.059  448.634   36.222 1.147858 51.11043 
1 1 1    7   14   16 o  277.275   17.893  171.313   22.249  145.390   27.181  223.944   38.730  247.745   23.476  306.804   27.011 -59.05832 35.78686 
1 1 1    7   14   17 o  182.115   12.152   78.166   10.332   79.466   14.362   76.772   14.875  183.723   16.727  180.507   17.633 3.215454 24.30494 
1 1 1    7   14   18 o  309.839   23.044  235.621   30.962  244.427   37.826  217.744   53.896  320.576   25.248  299.102   38.556 21.47354 46.08721 
1 1 1    7   14   19 o  182.785   17.678   81.603   13.935   51.397   19.116  115.853   20.356  144.102   29.381  221.467   19.667 -77.36478 35.35626 
1 1 1    7   14   20 o   99.242   16.895   24.647   7.7091   26.963   10.125   21.454   11.891  104.902   21.378   93.583   26.168 11.31932 33.79016 
1 1 1    7   14   21 o  116.780   17.064   33.689   9.1123   38.903   12.384   27.534   13.456  128.180   20.673  105.380   27.153 22.79966 34.12714 
1 1 1    7   14   22 o  252.127   21.385  153.930   25.103  137.979   35.274  170.300   35.733  238.469   31.650  265.785   28.767 -27.31656 42.77013 
1 1 1    7   14   23 o  308.669   21.877  233.060   29.599  229.702   51.340  234.732   36.225  304.708   36.052  312.630   24.793 -7.922394 43.75424 
1 1 1    7   14   24 o  274.874   15.954  182.963   20.081  141.486   28.345  224.754   28.452  242.477   25.013  307.272   19.813 -64.79456 31.90887 
1 1 1    7   14   25 o  104.129   12.916   23.665   5.8419   34.383   10.612   19.004   6.9978  120.254   18.882   88.003   17.629 32.25082 25.83232 
1 1 1    7   14   26 o   70.809   14.722   11.826   4.8687   12.746   9.0302   11.448   5.7809   73.402   23.374   68.215   17.906 5.187210 29.44445 
1 1 1    7   14   27 o  427.091   27.995  444.164   53.361  406.440   65.292  520.044   92.601  404.662   34.524  449.520   44.078 -44.85815 55.98933 
1 1 1    7   14   28 o  177.709   18.001   84.413   12.838   59.914   22.117   96.863   15.766  153.369   31.896  202.048   16.696 -48.67952 36.00144 
1 1 1    7   14   29 o  260.637   14.578  163.765   17.550  135.025   24.709  193.023   24.930  236.859   22.321  284.414   18.756 -47.55576 29.15501 
1 1 1    7   14   30 f  281.553   16.308  192.345   21.352  170.559   30.128  214.331   30.267  264.943   24.331  298.163   21.720 -33.21964 32.61584 
1 1 1    7   14   31 o  225.453   18.315  125.168   18.872   94.310   26.084  159.065   27.338  194.980   28.625  255.926   22.857 -60.94661 36.63077 
1 1 1    7   14   32 o  145.535   23.182   51.574   15.768   0.0000   0.0000   51.574   15.768  ?   ?   145.535   23.182      ?      ? 
1 1 1    7   14   34 o  168.235   12.674   66.952   8.7298   65.861   10.117   70.133   17.275  166.672   12.988  169.798   21.769 -3.125961 25.34898 
1 1 1    7   14   35 o  120.578   12.092   34.429   6.8139   34.429   6.8139   0.0000   0.0000  120.578   12.092  ?   ?       ?      ? 
1 1 1    7   14   36 o  285.151   18.050  190.896   23.074  244.191   40.125  164.565   28.204  311.794   27.536  258.507   23.345 53.28748 36.10016 
1 1 1    7   14   37 f  115.371   10.533   31.933   5.6614   32.921   7.7856   30.825   8.2472  117.396   14.191  113.347   15.569 4.048851 21.06561 
1 1 1    7   14   38 o   89.443   14.242   17.362   5.1489   14.362   5.8688   27.392   10.730   75.660   17.011  103.226   22.846 -27.56590 28.48355 
1 1 1    7   14   39 o   83.068   13.493   22.054   4.7868   26.077   5.3292   5.2548   10.891  104.891   10.871   61.245   24.698 43.64571 26.98500 
1 1 1    7   14   40 o   51.915   12.763   5.9488   3.6873   6.1050   4.5742   5.6588   6.2310   51.052   16.670   52.778   19.331 -1.725765 25.52607 
1 1 1    7   14   41 o   94.066   14.639   28.864   6.0052   35.213   6.8204   6.9654   12.667  121.597   12.002   66.536   26.705 55.06117 29.27797 
1 1 1    7   14   42 o   76.161   15.797   15.244   5.7970   16.509   6.8908   12.181   10.723   80.493   18.678   71.828   25.481 8.664757 31.59343 
1 1 1    7   14   43 o  221.375   18.437  127.408   17.791  130.144   21.833  122.001   30.691  228.931   20.406  213.818   30.713 15.11208 36.87424 
1 1 1    7   14   44 o  122.938   11.825   36.766   6.7918   35.464   9.5196   38.115   9.6928  120.677   16.879  125.198   16.566 -4.521652 23.65006 
1 1 1    7   14   45 o  184.329   11.906   84.000   9.9373   88.824   12.825   76.752   15.720  192.094   14.285  176.565   19.051 15.52834 23.81179 
1 1 1    7   14   46 o   84.999   12.365   18.063   4.6817   17.351   6.0672   19.111   7.3603   83.287   16.170   86.712   18.711 -3.424805 24.73045 
1 1 1    7   14   47 o   41.143   12.230   0.9234   3.8556   0.2713   4.8350   2.0621   6.3895   37.067   15.815   45.220   18.659 -8.153297 24.45972 
1 1 1    7   14   48 o   72.920   15.839   14.056   6.0191   16.598   7.5111   9.4950   10.062   80.048   20.105   65.792   24.481 14.25602 31.67854 
1 1 1    7   14   49 o  154.918   11.516   59.689   8.0412   62.610   10.286   55.097   12.896  160.932   13.676  148.904   18.531 12.02834 23.03122 
1 1 1    7   14   50 o   57.316   14.475   7.5110   4.8989   6.7434   6.7300   8.3761   7.1448   55.206   20.110   59.427   20.825 -4.221161 28.94960 
1 1 1    7   14   51 o  111.009   12.988   31.346   6.5329   26.800   9.1431   36.087   9.3378  101.326   20.018  120.692   16.555 -19.36665 25.97637 
1 1 1    7   14   52 o   55.879   14.976   2.2939   6.1775  -6.8367   8.2119   14.197   9.3762   38.623   18.098   73.134   23.866 -34.51167 29.95207 
1 1 1    7   14   53 o   64.267   15.067   6.9052   5.5941   0.5027   6.8191   20.082   9.7827   43.227   18.619   85.306   23.693 -42.07845 30.13324 
1 1 1    7   14   54 o   54.119   13.829   5.5450   4.6731   1.5675   6.0963   11.212   7.2768   42.876   17.999   65.362   21.000 -22.48553 27.65840 
1 1 1    7   14   55 o  157.132   11.911   62.132   8.6123   60.583   11.199   64.375   13.473  155.739   15.387  158.525   18.185 -2.785736 23.82109 
1 1 1    7   14   56 o  123.304   13.052   41.079   7.0066   46.201   9.1780   33.922   10.848  135.880   14.453  110.727   21.738 25.15297 26.10418 
1 1 1    7   14   57 f   61.947   13.771   7.5547   5.0468   0.2598   6.4701   18.890   8.0653   41.293   17.960   82.602   20.881 -41.30910 27.54250 
1 1 1    7   14   58 o   65.302   17.295   11.038   7.0643   8.2195   9.1897   15.110   11.045   58.831   23.021   71.773   25.818 -12.94164 34.59071 
1 1 1    7   14   59 o   56.774   15.790   7.9105   6.2441   10.172   8.3977   5.1140   9.3379   60.570   22.399   52.978   22.260 7.591480 31.57903 
1 1 1    7   14   60 o   44.218   14.124  -1.6706   6.2095  -4.2831   8.3506   1.5606   9.2871   39.952   18.564   48.485   21.292 -8.532471 28.24823 
1 1 1    7   14   61 o   46.553   14.186   1.9805   5.7174  -2.0232   7.7173   6.8513   8.5122   39.834   18.270   53.272   21.707 -13.43843 28.37198 
1 1 1    7   14   62 o   45.864   18.492   4.6709   6.1035   4.6709   6.1035   0.0000   0.0000   45.864   18.492  ?   ?       ?      ? 
1 1 1    7   14   63 o   56.920   15.586   9.6390   5.4413   9.3394   6.2453   10.583   11.086   55.633   19.471   58.207   24.343 -2.573875 31.17274 
1 1 1    7   14   64 o   41.089   13.032   0.2211   5.4123   3.9226   6.6707  -6.9101   9.2589   44.522   18.767   37.656   18.087 6.866196 26.06409 
1 1 1    7   14   65 o   56.500   15.704   9.9389   5.8274   16.619   10.025   6.5297   7.1617   64.732   24.366   48.268   19.817 16.46413 31.40737 
1 1 1    7   15    0 o  702.103   38.527  1209.88  176.307  1209.88  176.307  1209.88  176.307  702.103   54.486  702.103   54.486 -0.000000 0.000000 
1 1 1    7   15    1 o  419.354   22.220  420.784   43.421  384.542   61.394  457.057   61.420  400.855   32.771  437.852   30.015 -36.99680 44.43925 
1 1 1    7   15    2 o  627.469   31.889  964.450   93.123  1061.89  131.715  867.073  131.675  660.681   42.658  594.257   47.412 66.42462 63.77776 
1 1 1    7   15    3 o  539.994   25.939  701.098   64.147  707.776  101.445  696.649   82.802  540.545   40.157  539.443   32.844 1.102173 51.87738 
1 1 1    7   15    4 o  626.690   31.527  995.409   87.866  808.597  138.910  1120.01  113.445  570.848   52.068  682.532   35.565 -111.6839 63.05494 
1 1 1    7   15    5 o  536.819   27.830  717.815   66.972  609.275  105.874  790.218   86.471  498.927   45.406  574.711   32.194 -75.78433 55.66086 
1 1 1    7   15    6 o  807.111   63.035  1662.53  237.772   0.0000   0.0000  1662.53  237.772  ?   ?   807.111   63.035      ?      ? 
1 1 1    7   15    7 f  513.153   35.987  681.747   72.116  593.440  144.249  711.172   83.269  481.387   64.117  544.918   32.697 -63.53131 71.97309 
1 1 1    7   15    8 o  373.228   22.869  321.031   35.049  360.127   70.202  308.051   40.451  385.795   38.936  360.662   23.999 25.13382 45.73778 
1 1 1    7   15    9 o  205.408   14.869   96.478   13.632  110.078   23.627   89.692   16.690  215.662   23.442  195.154   18.299 20.50780 29.73863 
1 1 1    7   15   10 o  461.949   30.875  513.696   63.144  544.519  109.394  498.295   77.326  469.158   49.892  454.741   36.385 14.41660 61.75023 
1 1 1    7   15   11 o  237.583   17.522  136.779   18.137  125.361   31.297  142.551   22.254  229.281   29.208  245.885   19.366 -16.60333 35.04453 
1 1 1    7   15   12 o  241.378   17.311  135.080   18.607  148.349   32.171  128.411   22.809  249.606   27.578  233.150   20.933 16.45630 34.62263 
1 1 1    7   15   13 o  548.536   38.314  770.373   91.139  716.737  157.835  797.203  111.631  525.997   64.206  571.075   41.826 -45.07788 76.62802 
1 1 1    7   15   14 o  286.848   20.534  199.685   25.725  188.084   44.479  205.516   31.534  279.261   34.080  294.435   22.916 -15.17368 41.06808 
1 1 1    7   15   15 o  172.357   14.748   73.915   10.973   59.748   18.522   81.576   13.620  158.514   25.002  186.201   15.652 -27.68712 29.49682 
1 1 1    7   15   16 o  305.071   25.394  227.882   35.468  278.968   50.188  176.911   50.131  340.855   31.505  269.286   39.834 71.56909 50.78708 
1 1 1    7   15   17 o  436.926   37.807  557.193   57.479  357.282  114.872  623.961   66.387  362.600   70.324  511.252   27.785 -148.6521 75.61427 
1 1 1    7   15   18 o  268.591   22.389  197.404   23.389  124.447   40.336  234.361   28.708  222.326   40.305  314.856   19.510 -92.53064 44.77874 
1 1 1    7   15   19 o  266.211   21.894  171.458   27.213  180.763   38.653  162.312   38.321  273.585   30.230  258.836   31.678 14.74908 43.78815 
1 1 1    7   15   20 o  224.403   18.267  124.500   17.710  111.329   30.739  131.044   21.668  213.959   30.741  234.847   19.742 -20.88846 36.53434 
1 1 1    7   15   21 o  232.870   13.686  128.934   14.895  127.766   20.987  130.118   21.142  231.805   19.372  233.936   19.338 -2.131149 27.37226 
1 1 1    7   15   22 o  357.472   21.384  311.841   35.721  317.279   50.488  306.390   50.547  360.740   29.947  354.204   30.535 6.535919 42.76899 
1 1 1    7   15   23 o  354.256   21.640  309.274   35.315  366.498   49.923  251.958   49.963  388.854   27.471  319.659   33.444 69.19531 43.28019 
1 1 1    7   15   24 o   68.738   14.341   11.576   4.6243   9.6980   8.9940   12.251   5.3916   66.951   23.371   70.526   16.629 -3.574677 28.68263 
1 1 1    7   15   25 o  156.210   10.877   57.855   7.8681   48.261   10.968   68.027   11.294  142.700   16.446  169.720   14.238 -27.01976 21.75309 
1 1 1    7   15   26 o  245.636   14.551  144.777   16.625  160.012   23.453  129.388   23.571  258.989   19.376  232.283   21.713 26.70529 29.10132 
1 1 1    7   15   27 o  423.246   33.370  492.362   59.810  417.732  103.601  529.670   73.250  386.203   57.399  460.288   34.051 -74.08539 66.73921 
1 1 1    7   15   28 o  245.787   14.516  145.730   16.538  124.208   23.290  167.619   23.487  226.920   21.961  264.654   18.989 -37.73401 29.03210 
1 1 1    7   15   29 o  166.259   18.663   69.858   13.884   79.953   19.034   58.377   20.298  181.606   22.426  150.912   29.837 30.69438 37.32522 
1 1 1    7   15   30 o  104.791   11.904   25.859   5.7268   28.167   9.1374   24.365   7.3493  108.421   18.033  101.161   15.545 7.259865 23.80824 
1 1 1    7   15   31 o  316.878   27.644  263.207   40.919  271.457   57.859  254.951   57.879  322.457   38.393  311.298   39.783 11.15915 55.28770 
1 1 1    7   15   32 f  225.801   20.008  127.388   21.049  116.438   29.734  138.389   29.803  215.418   29.534  236.184   27.000 -20.76579 40.01617 
1 1 1    7   15   33 o  176.196   16.870   74.407   13.892   74.407   13.892   0.0000   0.0000  176.196   16.870  ?   ?       ?      ? 
1 1 1    7   15   34 o  348.609   22.827  302.995   35.452  282.245   43.441  344.373   61.344  335.437   27.710  361.782   36.281 -26.34528 45.65306 
1 1 1    7   15   35 f  159.537   18.329   65.114   13.147   75.150   18.318   54.454   18.879  174.750   22.430  144.325   28.996 30.42493 36.65857 
1 1 1    7   15   36 o  186.904   14.653   82.635   12.239   96.449   21.195   75.725   14.991  197.161   23.002  176.647   18.158 20.51424 29.30523 
1 1 1    7   15   37 o   64.081   14.373   10.382   4.5369   11.605   5.1249   5.9530   9.7555   68.042   16.325   60.120   23.660 7.922016 28.74566 
1 1 1    7   15   38 o  303.978   14.623  219.788   20.452  184.676   26.336  273.129   32.461  274.434   20.534  333.521   20.825 -59.08734 29.24606 
1 1 1    7   15   39 o  119.022   10.587   34.654   5.6282   36.449   7.1115   31.643   9.2075  123.747   12.297  114.297   17.237 9.449844 21.17367 
1 1 1    7   15   40 o  177.320   18.286   80.459   15.109   86.288   21.260   74.509   21.477  184.510   24.654  170.130   27.012 14.37996 36.57161 
1 1 1    7   15   41 o   52.904   17.422   6.6305   4.9919   6.6305   4.9919   0.0000   0.0000   52.904   17.422  ?   ?       ?      ? 
1 1 1    7   15   42 o   86.013   15.348   20.303   6.2873   23.995   7.6180   12.417   11.134   99.364   16.405   72.662   25.945 26.70242 30.69594 
1 1 1    7   15   43 o  105.802   15.782   34.752   7.4753   44.710   8.9993   12.588   13.426  136.317   14.126   75.287   28.226 61.02957 31.56334 
1 1 1    7   15   44 o  106.136   15.164   26.789   6.8652   22.800   8.2400   35.843   12.413   94.733   19.268  117.539   23.420 -22.80596 30.32728 
1 1 1    7   15   45 o  162.640   10.678   62.371   7.9973   54.921   10.289   73.740   12.710  150.862   14.594  174.418   15.593 -23.55602 21.35657 
1 1 1    7   15   46 o  158.063   11.400   61.954   8.1377   64.780   10.425   57.545   13.021  163.761   13.621  152.365   18.285 11.39581 22.80087 
1 1 1    7   15   47 o   51.777   13.023   3.7568   4.2609  -0.8356   5.4286   11.126   6.8768   37.272   16.325   66.283   20.295 -29.01062 26.04587 
1 1 1    7   15   48 o   54.813   13.665   6.7527   4.2643   6.2835   5.4240   7.5121   6.9002   52.260   18.154   57.367   20.430 -5.107128 27.33088 
1 1 1    7   15   49 o  119.900   17.388   35.711   9.7435   35.711   9.7435   0.0000   0.0000  119.900   17.388  ?   ?       ?      ? 
1 1 1    7   15   50 o   69.058   14.234   12.360   5.3238   18.373   7.2664   5.3928   7.8224   83.940   18.969   54.175   21.228 29.76489 28.46873 
1 1 1    7   15   51 o  107.683   25.600   32.261   12.694   32.261   12.694   0.0000   0.0000  107.683   25.600  ?   ?       ?      ? 
1 1 1    7   15   52 o   77.822   15.885   17.250   6.1849   19.982   7.5101   11.490   10.903   87.172   18.973   68.471   25.482 18.70113 31.76989 
1 1 1    7   15   53 o  144.665   11.506   51.548   7.7006   46.782   10.055   58.308   11.975  137.038   15.700  152.291   16.825 -15.25278 23.01289 
1 1 1    7   15   54 o   75.829   14.203   15.654   5.0865   16.387   6.6435   14.616   7.9071   78.552   18.417   73.106   21.627 5.446114 28.40554 
1 1 1    7   15   55 o   85.275   16.152   21.128   6.6769   16.756   10.113   24.507   8.8901   76.164   24.783   94.386   20.722 -18.22188 32.30435 
1 1 1    7   15   56 o   55.861   13.628   5.9480   4.6836   0.5839   6.0539   13.945   7.3918   40.636   17.523   71.085   20.876 -30.44904 27.25589 
1 1 1    7   15   57 o  120.963   20.851   47.224   12.015   61.611   17.361   33.998   16.646  142.586   27.042   99.340   31.746 43.24590 41.70205 
1 1 1    7   15   58 o   50.311   14.674   2.4184   6.5052   10.287   8.1748 -11.1676   10.742   60.726   22.157   39.897   19.244 20.82835 29.34723 
1 1 1    7   15   59 f   49.194   14.811   1.2740   6.6448   8.3292   8.5033  -9.7912   10.649   57.550   22.248   40.838   19.558 16.71220 29.62222 
1 1 1    7   15   60 o   53.725   21.431   7.2885   8.1042   7.2885   8.1042   0.0000   0.0000   53.725   21.431  ?   ?       ?      ? 
1 1 1    7   15   61 o  101.470   16.287   35.232   7.0201   37.679   8.1219   28.003   13.959  119.110   14.590   83.831   29.124 35.27891 32.57403 
1 1 1    7   15   62 o   57.329   14.239   10.131   5.7932   15.943   6.9338  -3.3066   10.543   71.543   19.974   43.114   20.298 28.42904 28.47762 
1 1 1    7   15   63 f   45.994   13.637   3.8339   5.0520   0.4560   6.8919   7.7568   7.4271   39.855   17.871   52.133   20.604 -12.27774 27.27421 
1 1 1    7   15   64 o   62.388   14.965   13.109   5.5123   7.7885   7.5883   19.053   8.0208   50.741   20.562   74.035   21.748 -23.29470 29.92918 
1 1 1    7   16    0 o  363.454   20.572  317.626   48.690  317.626   48.690  317.626   48.690  363.454   29.094  363.454   29.094 -0.000000 0.000000 
1 1 1    7   16    1 f  436.579   30.773  474.692   58.350  438.910  101.061  492.586   71.466  420.202   51.462  452.956   33.760 -32.75360 61.54693 
1 1 1    7   16    2 o  474.583   22.612  532.446   49.379  577.832   78.127  502.256   63.719  490.428   34.086  458.738   29.721 31.68976 45.22397 
1 1 1    7   16    3 o  555.077   26.218  768.790   65.042  639.868  102.823  854.786   83.978  511.883   42.981  598.270   30.035 -86.38712 52.43513 
1 1 1    7   16    4 o  367.891   17.902  317.515   30.298  341.963   47.925  301.240   39.104  379.145   27.047  356.636   23.461 22.50836 35.80458 
1 1 1    7   16    5 f  534.351   26.048  695.161   63.399  664.323  100.246  715.717   81.846  522.262   41.071  546.441   32.049 -24.17896 52.09558 
1 1 1    7   16    6 o  492.391   29.237  559.601   59.508  662.155  119.081  525.467   68.701  516.454   49.336  468.328   31.389 48.12527 58.47493 
1 1 1    7   16    7 o  308.240   18.776  215.755   23.866  248.714   47.814  204.819   27.542  321.975   31.775  294.504   20.011 27.47104 37.55124 
1 1 1    7   16    8 o  223.131   15.598  117.112   16.266   0.0000   0.0000  117.112   16.266  ?   ?   223.131   15.598      ?      ? 
1 1 1    7   16    9 o  421.328   31.750  492.997   49.503  339.399   98.980  544.234   57.167  364.386   58.122  478.271   25.576 -113.8850 63.50045 
1 1 1    7   16   10 o  399.728   30.849  383.371   57.629   0.0000   0.0000  383.371   57.629  ?   ?   399.728   30.849      ?      ? 
1 1 1    7   16   11 o  123.613   12.715   37.687   5.9631   34.531   12.160   38.687   6.8423  118.791   22.732  128.435   11.399 -9.643791 25.42979 
1 1 1    7   16   12 f  115.916   11.076   29.159   5.3679   37.209   10.742   26.480   6.1971  125.610   18.299  106.223   12.483 19.38618 22.15130 
1 1 1    7   16   13 o  176.192   13.967   77.903   9.6643   64.743   19.156   82.396   11.193  165.033   24.837  187.351   12.784 -22.31825 27.93345 
1 1 1    7   16   14 o  304.726   25.246  228.416   35.057  171.910   49.511  285.229   49.645  264.956   39.984  344.496   30.835 -79.54013 50.49271 
1 1 1    7   16   15 o  231.966   12.376  127.169   13.152  126.407   20.719  127.682   17.021  231.144   19.180  232.788   15.645 -1.644302 24.75134 
1 1 1    7   16   16 o  265.556   13.965  162.049   17.053  205.376   26.971  133.191   22.012  294.222   19.615  236.891   19.882 57.33092 27.92923 
1 1 1    7   16   17 o  206.706   11.792  102.883   11.061   92.610   17.370  109.891   14.347  197.525   18.816  215.887   14.219 -18.36241 23.58446 
1 1 1    7   16   18 o  473.176   24.882  571.462   52.543  475.679   83.013  635.483   67.868  434.447   40.885  511.904   28.368 -77.45691 49.76306 
1 1 1    7   16   19 o  445.456   30.857  509.503   60.020  494.785  103.785  516.898   73.570  433.493   51.228  457.419   34.415 -23.92587 61.71486 
1 1 1    7   16   20 o  477.936   25.732  573.904   56.379  452.548   79.646  695.790   79.819  423.519   40.239  532.353   32.082 -108.8341 51.46323 
1 1 1    7   16   21 o  300.457   16.797  217.400   23.486  194.275   33.138  240.736   33.290  283.933   24.973  316.982   22.472 -33.04947 33.59498 
1 1 1    7   16   22 o  148.266   11.197   52.328   7.6970   59.552   10.850   45.009   10.921  158.766   14.622  137.766   16.962 21.00046 22.39487 
1 1 1    7   16   23 o  329.492   20.397  265.055   31.407  262.409   44.375  267.712   44.459  327.785   28.967  331.200   28.723 -3.415741 40.79320 
1 1 1    7   16   24 o  317.192   18.925  244.741   28.052  240.904   39.619  248.599   39.724  314.614   26.945  319.770   26.581 -5.156067 37.85000 
1 1 1    7   16   25 o  207.734   17.256  102.703   16.752  102.703   16.752   0.0000   0.0000  207.734   17.256  ?   ?       ?      ? 
1 1 1    7   16   26 f  106.506   15.447   26.941   7.6886   26.941   7.6886   0.0000   0.0000  106.506   15.447  ?   ?       ?      ? 
1 1 1    7   16   27 o  241.926   18.690  148.358   19.565  130.813   33.582  157.374   24.073  228.224   31.485  255.628   20.150 -27.40462 37.38074 
1 1 1    7   16   28 f  228.919   17.933  128.625   18.122  128.472   31.091  128.704   22.303  226.977   29.309  230.862   20.671 -3.885071 35.86557 
1 1 1    7   16   29 o  403.397   37.267  464.566   70.066  497.135   99.098  432.010   99.077  420.660   50.407  386.135   54.903 34.52524 74.53313 
1 1 1    7   16   30 f  226.198   28.331  127.658   29.950   0.0000   0.0000  127.658   29.950  ?   ?   226.198   28.331      ?      ? 
1 1 1    7   16   31 o  132.402   12.989   41.584   8.0376   41.584   8.0376   0.0000   0.0000  132.402   12.989  ?   ?       ?      ? 
1 1 1    7   16   32 o  315.444   19.608  240.520   27.651  220.262   33.896  280.809   47.803  298.807   24.273  332.081   30.801 -33.27350 39.21587 
1 1 1    7   16   33 o  133.230   16.524   44.376   10.082   43.416   14.244   45.341   14.272  130.661   24.218  135.800   22.487 -5.139709 33.04795 
1 1 1    7   16   34 o   86.758   13.418   17.561   5.1626   25.551   8.7293   13.263   6.4023  100.968   19.201   72.547   18.748 28.42110 26.83569 
1 1 1    7   16   35 o  112.711   12.908   30.910   6.3107   29.962   7.7796   32.732   10.791  111.709   14.901  113.714   21.082 -2.004440 25.81678 
1 1 1    7   16   36 o  231.910   15.489  136.638   15.800   85.889   22.204  188.700   22.489  184.556   25.743  279.264   17.231 -94.70808 30.97733 
1 1 1    7   16   37 o   57.972   13.088   2.0751   3.8364  -1.7216   4.2627   18.257   8.8003   31.497   14.094   84.448   22.057 -52.95173 26.17523 
1 1 1    7   16   38 o  172.725   20.151   90.634   13.457  110.683   16.407   49.425   23.522  213.855   16.416  131.595   36.806 82.26028 40.30138 
1 1 1    7   16   39 o   81.117   17.226   17.181   7.1323   19.709   9.6160   14.088   10.634   86.880   23.232   75.354   25.441 11.52654 34.45298 
1 1 1    7   16   40 o  169.723   13.946   69.637   9.4925   68.078   10.890   74.571   19.371  168.256   13.848  171.190   24.212 -2.934525 27.89270 
1 1 1    7   16   41 o   80.838   17.940   16.878   7.5614   17.979   10.505   15.694   10.893   83.071   25.008   78.604   25.727 4.467667 35.87915 
1 1 1    7   16   42 o  107.826   12.552   29.057   6.0964   34.047   8.5930   24.000   8.6505  118.609   15.502   97.042   19.746 21.56667 25.10378 
1 1 1    7   16   43 o   97.750   15.942   26.363   6.9779   30.128   8.4372   18.212   12.413  111.450   16.198   84.051   27.462 27.39983 31.88364 
1 1 1    7   16   44 o  146.867   17.173   61.423   10.104   71.045   12.361   42.051   17.540  171.003   15.467  122.732   30.667 48.27101 34.34686 
1 1 1    7   16   45 o  169.876   18.272   71.485   14.506   71.485   14.506   0.0000   0.0000  169.876   18.272  ?   ?       ?      ? 
1 1 1    7   16   46 o  104.206   13.316   20.259   5.7662   11.004   6.6004   50.087   11.849   65.847   19.823  142.566   17.784 -76.71922 26.63157 
1 1 1    7   16   47 o  263.165   21.494  192.756   22.079  195.743   25.479  183.752   44.235  279.183   19.528  247.147   38.297 32.03593 42.98847 
1 1 1    7   16   48 o   60.826   14.342   9.1671   4.8467   10.919   6.5428   7.0372   7.2150   65.135   19.765   56.517   20.786 8.618423 28.68303 
1 1 1    7   16   49 o  157.554   12.827   62.276   9.4448   61.551   13.318   63.009   13.396  156.598   18.198  158.511   18.083 -1.913406 25.65472 
1 1 1    7   16   50 o  100.254   19.042   28.481   9.0974   27.450   12.460   29.658   13.313   98.560   26.485  101.948   27.368 -3.387665 38.08461 
1 1 1    7   16   51 o   51.518   14.397   4.2148   5.4999   8.2501   6.7193  -3.9767   9.5735   58.088   20.204   44.948   20.515 13.14053 28.79368 
1 1 1    7   16   52 o   63.389   15.613   10.195   5.4546   10.818   6.4894   8.6965   10.069   64.176   19.726   62.601   24.207 1.575890 31.22596 
1 1 1    7   16   53 o   62.791   16.215   8.7487   6.8127   15.691   9.2685   0.5900   10.048   75.004   23.659   50.579   22.181 24.42465 32.43009 
1 1 1    7   16   54 o   50.068   13.970   3.9817   4.8932   0.8552   6.4134   8.3369   7.5694   42.025   18.079   58.111   21.303 -16.08554 27.94032 
1 1 1    7   16   55 o   47.156   14.159   0.3806   5.4760   6.7760   8.7898  -3.6761   7.0005   56.682   22.410   37.630   17.311 19.05148 28.31776 
1 1 1    7   16   56 o   55.363   16.112   5.7200   6.8285   8.3221   8.8982   1.9926   10.650   58.639   22.734   52.087   22.839 6.551723 32.22466 
1 1 1    7   16   57 o   40.504   13.206  -3.6372   5.7703  -6.0752   7.6952  -0.5052   8.7219   36.374   17.191   44.634   20.053 -8.260433 26.41270 
1 1 1    7   16   58 o   74.370   27.508   17.628   12.668   17.628   12.668   0.0000   0.0000   74.370   27.508  ?   ?       ?      ? 
1 1 1    7   16   59 o   81.769   30.402   26.548   15.512   26.548   15.512   0.0000   0.0000   81.769   30.402  ?   ?       ?      ? 
1 1 1    7   16   60 o   48.367   14.834  -0.3444   7.3526 -17.7022   11.682   11.043   9.4618   36.940   18.277   59.794   23.370 -22.85367 29.66786 
1 1 1    7   16   61 o   34.606   11.428  -4.4274   4.6620  -8.8081   6.4297   0.4288   6.7696   29.450   14.362   39.762   17.779 -10.31198 22.85522 
1 1 1    7   16   62 o   69.075   17.198   17.660   6.9934   14.506   13.255   18.877   8.2324   62.705   26.444   75.446   21.996 -12.74108 34.39596 
1 1 1    7   16   63 o   68.315   15.807   17.002   6.0180   13.171   8.8328   20.321   8.2216   60.103   22.814   76.528   21.886 -16.42487 31.61418 
1 1 1    7   17    0 o  847.355   44.739  1797.07  247.349  1797.07  247.349  1797.07  247.349  847.355   63.271  847.355   63.271 -0.000000 0.000000 
1 1 1    7   17    1 o  423.197   26.253  415.512   49.761  502.307   86.239  372.191   60.926  453.281   40.709  393.113   33.162 60.16846 52.50695 
1 1 1    7   17    2 o  507.535   25.410  621.281   59.116  635.233   93.503  611.991   76.300  510.603   39.183  504.467   32.363 6.135529 50.82001 
1 1 1    7   17    3 o  662.663   34.778  1126.00  103.083  955.087  162.981  1239.97  133.085  612.441   56.942  712.886   39.945 -100.4451 69.55560 
1 1 1    7   17    4 f  768.797   32.501  1422.42  115.138  1722.46  182.107  1222.61  148.611  833.807   46.732  703.787   45.182 130.0204 65.00267 
1 1 1    7   17    5 o  525.194   35.316  695.825   73.913  672.787  147.868  703.498   85.340  510.159   62.019  540.229   33.801 -30.06998 70.63206 
1 1 1    7   17    6 o  673.597   39.457  1106.26  124.213   0.0000   0.0000  1106.26  124.213  ?   ?   673.597   39.457      ?      ? 
1 1 1    7   17    7 o  632.675   46.409  1082.79  125.258  944.572  216.897  1151.96  153.428  585.477   79.269  679.874   48.287 -94.39752 92.81806 
1 1 1    7   17    8 o  489.940   33.891  617.503   65.334  560.438  130.691  636.515   75.436  465.430   60.083  514.451   31.376 -49.02121 67.78179 
1 1 1    7   17    9 o  569.426   39.370  845.338   88.536  798.266  177.111  861.019  102.225  544.385   69.614  594.467   36.795 -50.08221 78.73981 
1 1 1    7   17   10 o  353.207   27.547  338.318   36.645  249.117   73.246  368.098   42.322  313.133   50.051  393.280   23.026 -80.14694 55.09349 
1 1 1    7   17   11 o  402.794   25.452  391.480   41.582  411.383   83.204  384.854   48.007  404.793   43.981  400.796   25.630 3.996887 50.90411 
1 1 1    7   17   12 o  243.110   18.178  151.725   17.118  123.787   34.250  161.027   19.763  225.160   32.548  261.060   16.198 -35.89999 36.35619 
1 1 1    7   17   13 o  407.836   23.998  389.096   40.325  453.254   80.738  367.772   46.546  424.693   40.678  390.979   25.473 33.71390 47.99569 
1 1 1    7   17   14 o  479.282   32.025  583.992   67.543  601.722  117.001  575.130   82.718  477.530   52.426  481.034   36.795 -3.504883 64.04929 
1 1 1    7   17   15 o  198.954   18.213   96.052   16.745  112.268   23.708   79.911   23.653  216.346   23.448  181.562   27.875 34.78430 36.42549 
1 1 1    7   17   16 o  314.612   15.965  233.182   23.140  259.758   36.586  215.463   29.874  328.881   23.803  300.344   21.283 28.53680 31.93013 
1 1 1    7   17   17 o  161.351   10.563   64.553   7.5512   49.043   11.796   75.321   9.8292  143.777   17.555  178.924   11.755 -35.14690 21.12690 
1 1 1    7   17   18 o  500.180   26.489  626.057   61.917  619.327   87.516  632.802   87.613  497.317   37.654  503.042   37.267 -5.725037 52.97757 
1 1 1    7   17   19 o  311.618   15.586  234.824   22.124  222.009   34.891  243.442   28.611  303.498   24.599  319.738   19.147 -16.23972 31.17235 
1 1 1    7   17   20 o  198.333   15.997   95.008   13.678   95.954   16.500   92.930   24.456  200.977   17.567  195.689   26.740 5.287674 31.99458 
1 1 1    7   17   21 o  151.459   10.864   54.314   7.6866   54.000   10.695   54.649   11.055  151.034   15.151  151.884   15.574 -0.8499451 21.72840 
1 1 1    7   17   22 o  237.916   17.797  138.381   18.511  134.239   32.145  140.436   22.642  233.607   29.444  242.225   20.001 -8.616928 35.59449 
1 1 1    7   17   23 o   87.058   12.804   18.094   4.9850   23.200   7.8908   14.703   6.4307   97.131   18.047   76.984   18.167 20.14728 25.60714 
1 1 1    7   17   24 o   73.904   12.734   13.101   4.2934   16.299   6.8857   11.067   5.4917   80.950   18.592   66.857   17.406 14.09283 25.46826 
1 1 1    7   17   25 o  179.528   14.363   77.608   11.485   78.074   19.420   77.357   14.243  179.095   23.202  179.960   16.935 -0.8653259 28.72523 
1 1 1    7   17   26 f  224.476   16.822  123.498   16.672  121.206   28.479  124.693   20.564  221.262   27.541  227.690   19.325 -6.428650 33.64431 
1 1 1    7   17   27 o  279.944   34.317  200.525   44.898   0.0000   0.0000  200.525   44.898  ?   ?   279.944   34.317      ?      ? 
1 1 1    7   17   28 o  303.568   26.767  242.423   37.699  272.575   53.329  212.305   53.299  324.798   35.132  282.337   40.393 42.46130 53.53385 
1 1 1    7   17   29 o   94.893   15.479   23.535   6.9826   14.466   10.682   30.300   9.2266   77.473   25.484  112.314   17.578 -34.84092 30.95825 
1 1 1    7   17   30 o   77.441   15.909   14.847   5.5652   14.847   5.5652   0.0000   0.0000   77.441   15.909  ?   ?       ?      ? 
1 1 1    7   17   31 o   75.916   13.613   15.890   5.0729   6.4694   9.2373   19.958   6.0702   60.364   23.229   91.468   14.200 -31.10479 27.22579 
1 1 1    7   17   32 o  145.859   13.790   50.835   8.8250   54.919   15.634   48.925   10.691  149.093   22.438  142.624   16.039 6.469009 27.58083 
1 1 1    7   17   33 o  284.564   15.598  201.201   20.629  223.795   29.127  178.464   29.220  301.633   20.662  267.494   23.373 34.13873 31.19668 
1 1 1    7   17   34 o  124.962   15.502   44.493   7.8481   26.150   13.415   54.039   9.6770   99.569   27.777  150.355   13.771 -50.78681 31.00314 
1 1 1    7   17   35 o  181.720   16.244   83.645   12.582   86.600   15.194   77.198   22.445  189.268   17.178  174.172   27.574 15.09624 32.48709 
1 1 1    7   17   36 o  153.349   16.838   58.949   12.066   57.944   17.065   59.953   17.061  151.945   24.031  154.752   23.590 -2.806351 33.67513 
1 1 1    7   17   37 o  300.142   17.699  229.820   24.738  249.681   34.920  209.811   35.050  314.404   23.766  285.881   26.234 28.52322 35.39817 
1 1 1    7   17   38 o  140.321   12.787   41.931   7.8121   29.988   9.2797   70.987   14.475  110.598   17.953  170.044   18.214 -59.44582 25.57484 
1 1 1    7   17   39 o  209.333   16.740  110.706   15.285  110.438   18.619  111.260   26.768  211.913   18.800  206.754   27.703 5.158966 33.47955 
1 1 1    7   17   40 o  114.524   24.172   34.312   12.531   34.312   12.531   0.0000   0.0000  114.524   24.172  ?   ?       ?      ? 
1 1 1    7   17   41 o  102.036   15.139   26.568   6.7578   27.419   11.299   26.094   8.4324  102.245   24.048  101.826   18.396 0.4186630 30.27769 
1 1 1    7   17   42 o  171.628   14.924   72.717   11.269   71.282   13.762   75.638   19.634  170.881   17.232  172.376   24.372 -1.494858 29.84873 
1 1 1    7   17   43 o  119.026   11.836   35.022   6.5106   40.429   9.1588   29.499   9.2568  128.882   15.206  109.170   18.143 19.71138 23.67253 
1 1 1    7   17   44 o  185.083   16.326   87.027   13.300   88.383   22.952   86.342   16.318  183.488   26.765  186.679   18.704 -3.190964 32.65275 
1 1 1    7   17   45 o  100.151   13.868   25.757   6.2583   26.461   8.9302   25.078   8.7731  101.566   19.523   98.737   19.703 2.829056 27.73677 
1 1 1    7   17   46 o   93.275   13.043   23.544   5.4227   29.575   7.1408   15.330   8.3345  110.371   13.844   76.180   22.109 34.19074 26.08588 
1 1 1    7   17   47 o  183.864   16.870   88.938   13.671   89.682   16.904   87.532   23.243  188.542   19.184  179.186   27.755 9.356155 33.74005 
1 1 1    7   17   48 o   85.335   17.116   18.552   6.6881   24.237   12.271   16.150   7.9772   92.848   26.792   77.822   21.309 15.02639 34.23295 
1 1 1    7   17   49 o  109.257   28.241   34.480   14.525   34.480   14.525   0.0000   0.0000  109.257   28.241  ?   ?       ?      ? 
1 1 1    7   17   50 f  140.038   17.673   49.548   11.566   49.548   11.566   0.0000   0.0000  140.038   17.673  ?   ?       ?      ? 
1 1 1    7   17   51 o  100.837   12.571   26.164   5.7674   26.590   7.8393   25.662   8.5151  102.996   16.286   98.678   19.155 4.318504 25.14248 
1 1 1    7   17   52 o   70.729   17.210   13.749   6.8432   14.026   8.9396   13.356   10.635   71.209   23.307   70.249   25.327 0.9608231 34.41902 
1 1 1    7   17   53 o  102.417   15.320   29.922   7.2191   21.141   10.748   37.141   9.7446   84.739   25.247  120.095   17.362 -35.35653 30.64083 
1 1 1    7   17   54 o   75.459   18.090   14.106   7.9918   26.803   12.750   5.8890   10.257   93.658   27.393   57.261   23.636 36.39711 36.18019 
1 1 1    7   17   55 o   73.262   17.567   16.353   7.4556   19.881   9.5840   10.946   11.865   81.596   23.717   64.928   25.921 16.66763 35.13377 
1 1 1    7   17   56 o   98.425   17.830   26.485   7.8995   26.485   7.8995   0.0000   0.0000   98.425   17.830  ?   ?       ?      ? 
1 1 1    7   17   57 f   42.887   17.899   2.4664   5.9755   2.4664   5.9755   0.0000   0.0000   42.887   17.899  ?   ?       ?      ? 
1 1 1    7   17   58 o   62.269   24.445   11.877   10.389   11.877   10.389   0.0000   0.0000   62.269   24.445  ?   ?       ?      ? 
1 1 1    7   17   59 o   42.135   13.498  -0.5176   5.8397  -9.3336   10.788   3.1362   6.9452   39.766   19.207   44.503   18.970 -4.736935 26.99575 
1 1 1    7   17   60 o   78.342   17.259   22.867   7.2643   17.969   13.153   25.018   8.7138   67.724   27.202   88.960   21.251 -21.23618 34.51824 
1 1 1    7   17   61 o   54.160   14.242   8.8035   4.7751   8.4030   6.2873   9.3494   7.3405   53.138   19.425   55.182   20.833 -2.044079 28.48385 
1 1 1    7   17   62 o   35.893   11.579  -0.6467   4.2985  -1.2762   5.9013   0.0648   6.2737   34.599   15.908   37.187   16.829 -2.587791 23.15773 
1 1 1    7   18    0 o   96.358   11.229   23.484   6.5675   23.484   6.5675   23.484   6.5675   96.358   15.880   96.358   15.880 -0.000000 0.000000 
1 1 1    7   18    1 o   97.679   10.529   22.962   4.6025   28.544   6.6201   17.741   6.4031  110.145   12.860   85.213   16.675 24.93166 21.05847 
1 1 1    7   18    2 o  304.403   17.544  223.138   24.767  192.028   35.016  254.281   35.035  282.526   26.519  326.281   22.975 -43.75470 35.08775 
1 1 1    7   18    3 o  258.203   15.030  158.792   18.136  159.852   25.648  157.733   25.649  259.081   21.182  257.325   21.328 1.755981 30.05932 
1 1 1    7   18    4 o  132.457   9.3949   41.234   5.6846   41.687   9.0719   40.941   7.2943  132.950   14.601  131.964   11.827 0.9855194 18.78988 
1 1 1    7   18    5 o  355.324   22.602  301.782   37.532   0.0000   0.0000  301.782   37.532  ?   ?   355.324   22.602      ?      ? 
1 1 1    7   18    6 o  251.428   17.539  154.393   17.643  146.817   35.227  156.929   20.383  245.400   30.715  257.456   16.941 -12.05637 35.07738 
1 1 1    7   18    7 o  186.651   17.153   82.525   14.963   0.0000   0.0000   82.525   14.963  ?   ?   186.651   17.153      ?      ? 
1 1 1    7   18    8 o   67.550   12.174   11.476   3.6080   9.8140   6.8657   12.110   4.2409   64.544   20.363   70.556   13.350 -6.012062 24.34884 
1 1 1    7   18    9 o  209.780   17.652  112.678   15.631   88.135   27.049  124.984   19.153  190.034   30.457  229.525   17.855 -39.49104 35.30449 
1 1 1    7   18   10 o  310.127   26.645  269.520   29.636  191.793   59.259  295.444   34.224  268.352   49.058  351.902   20.810 -83.54977 53.28939 
1 1 1    7   18   11 o  235.455   22.089  162.237   17.946   95.907   35.831  184.446   20.734  191.681   41.223  279.229   15.888 -87.54794 44.17865 
1 1 1    7   18   12 o   55.455   12.727   6.9533   3.5261   6.8756   6.6641   6.9836   4.1554   57.110   20.106   53.799   15.611 3.311287 25.45457 
1 1 1    7   18   13 o  443.928   29.055  499.918   56.495  496.306   97.848  501.724   69.194  436.458   47.969  451.398   32.799 -14.94037 58.11067 
1 1 1    7   18   14 o  106.412   13.961   32.440   5.5620   18.889   11.197   36.880   6.4086   87.576   25.686  125.248   10.948 -37.67169 27.92218 
1 1 1    7   18   15 o  339.024   29.809  327.170   39.150  214.254   67.677  383.964   47.997  279.513   53.760  398.534   25.769 -119.0216 59.61705 
1 1 1    7   18   16 o  189.825   12.433   85.596   11.027   85.694   15.414   85.493   15.781  189.975   17.361  189.675   17.802 0.3002167 24.86622 
1 1 1    7   18   17 o   95.695   10.238   22.432   4.2987   15.473   6.0381   29.584   6.1212   79.297   16.815  112.093   11.685 -32.79545 20.47589 
1 1 1    7   18   18 o  102.743   8.8438   25.372   4.1368   22.409   6.3977   27.501   5.4230   97.366   14.060  108.120   10.732 -10.75442 17.68761 
1 1 1    7   18   19 o  263.699   15.472  167.343   19.068  167.053   26.888  167.635   27.045  263.486   21.835  263.913   21.927 -0.4265442 30.94490 
1 1 1    7   18   20 o  312.102   18.620  241.582   26.492  299.636   37.423  183.270   37.507  352.006   22.748  272.197   29.484 79.80984 37.23940 
1 1 1    7   18   21 f  232.961   18.691  129.782   19.470  145.557   33.425  121.680   23.954  241.974   29.557  223.947   22.887 18.02692 37.38201 
1 1 1    7   18   22 o  116.169   14.536   33.384   7.6314   39.060   10.723   27.559   10.863  127.708   17.967  104.629   22.855 23.07904 29.07115 
1 1 1    7   18   23 o   76.466   17.133   14.506   5.9708   0.0000   0.0000   14.506   5.9708  ?   ?    76.466   17.133      ?      ? 
1 1 1    7   18   24 o  182.883   17.016   81.832   14.520   76.582   20.524   87.092   20.544  176.739   24.848  189.027   23.255 -12.28847 34.03233 
1 1 1    7   18   25 o  225.485   20.025  126.815   21.088  121.883   29.848  131.731   29.799  220.800   28.925  230.170   27.701 -9.369919 40.04996 
1 1 1    7   18   26 o  149.509   12.658   50.868   8.5025   44.101   10.425   64.310   14.693  135.771   16.430  163.246   19.259 -27.47464 25.31528 
1 1 1    7   18   27 f  306.219   23.874  243.178   31.935  245.930   39.154  237.709   55.197  314.299   26.656  298.139   39.614 16.15979 47.74748 
1 1 1    7   18   28 o  306.370   27.802  252.697   39.628  276.786   56.051  228.622   56.035  323.182   37.110  289.557   41.408 33.62482 55.60357 
1 1 1    7   18   29 o  156.940   14.606   58.857   10.713   58.857   10.713   0.0000   0.0000  156.940   14.606  ?   ?       ?      ? 
1 1 1    7   18   30 o  272.681   16.822  185.137   21.434  188.774   30.306  181.498   30.319  275.540   23.534  269.823   24.043 5.716980 33.64416 
1 1 1    7   18   31 o  227.694   22.048  150.749   19.491  177.281   23.957   98.798   33.523  269.460   19.024  185.928   39.782 83.53160 44.09654 
1 1 1    7   18   32 o   52.570   11.564   6.3472   3.4545   10.117   4.6926   1.8873   5.1041   63.624   15.842   41.515   16.850 22.10921 23.12775 
1 1 1    7   18   33 o  125.506   13.944   39.028   7.4201   38.857   13.006   39.110   9.0347  123.344   23.419  127.669   15.142 -4.324615 27.88817 
1 1 1    7   18   34 o  166.676   14.421   68.635   10.431   69.177   12.663   67.493   18.395  169.315   16.003  164.037   23.994 5.278458 28.84141 
1 1 1    7   18   35 o  162.228   15.957   70.986   10.578   53.866   17.933   80.122   13.100  142.320   27.958  182.137   15.390 -39.81697 31.91405 
1 1 1    7   18   36 o  135.094   11.539   44.683   7.1596   35.165   10.031   54.566   10.222  119.780   17.920  150.409   14.542 -30.62934 23.07762 
1 1 1    7   18   37 o  166.678   18.040   72.759   12.908   43.673   17.673  106.018   18.898  126.156   30.346  207.201   19.516 -81.04518 36.07948 
1 1 1    7   18   38 o  178.046   26.399   81.725   21.967   0.0000   0.0000   81.725   21.967  ?   ?   178.046   26.399      ?      ? 
1 1 1    7   18   39 o   73.098   17.156   13.300   6.8364   14.065   9.1545   12.335   10.279   74.467   23.515   71.729   24.988 2.738632 34.31251 
1 1 1    7   18   40 o   63.142   14.803   7.2539   5.7376  -0.3948   7.6585   17.039   8.6624   45.145   19.588   81.139   22.200 -35.99323 29.60597 
1 1 1    7   18   41 o   78.711   16.305   15.595   6.8668   7.5968   9.5978   23.982   9.8287   61.830   23.706   95.592   22.393 -33.76213 32.61016 
1 1 1    7   18   42 o   87.493   14.377   22.965   6.2608   30.946   7.6214   6.4019   10.979  112.992   14.433   61.995   24.869 50.99734 28.75373 
1 1 1    7   18   43 o   88.698   17.309   21.172   7.3972   22.741   9.6368   18.921   11.541   93.004   22.431   84.392   26.367 8.611984 34.61742 
1 1 1    7   18   44 o   63.613   15.268   8.4277   5.4566   15.491   9.0273   4.3612   6.8495   76.668   23.206   50.559   19.848 26.10880 30.53624 
1 1 1    7   18   45 o  113.130   11.820   32.496   5.8481   34.109   7.4598   29.924   9.4198  118.583   13.460  107.677   19.434 10.90562 23.64018 
1 1 1    7   18   46 o   62.141   14.433   9.1903   5.0259   5.3123   6.8613   13.680   7.3828   52.214   20.038   72.067   20.778 -19.85285 28.86598 
1 1 1    7   18   47 o   86.791   20.649   20.028   8.2540   20.028   8.2540   0.0000   0.0000   86.791   20.649  ?   ?       ?      ? 
1 1 1    7   18   48 o  104.255   26.990   31.081   13.254   31.081   13.254   0.0000   0.0000  104.255   26.990  ?   ?       ?      ? 
1 1 1    7   18   49 o   43.237   19.080  -0.8070   7.5430  -0.8070   7.5430   0.0000   0.0000   43.237   19.080  ?   ?       ?      ? 
1 1 1    7   18   50 o  104.531   20.233   29.155   9.5269   29.155   9.5269   0.0000   0.0000  104.531   20.233  ?   ?       ?      ? 
1 1 1    7   18   51 o   62.956   16.440   8.8061   6.1322   14.972   10.703   5.7926   7.4821   72.854   25.491   53.059   20.769 19.79530 32.88065 
1 1 1    7   18   52 o  108.234   17.800   33.641   8.5640   32.603   10.676   35.515   14.342  108.592   21.794  107.875   28.150 0.7172241 35.60080 
1 1 1    7   18   53 o   56.613   22.142   7.1267   8.4984   7.1267   8.4984   0.0000   0.0000   56.613   22.142  ?   ?       ?      ? 
1 1 1    7   18   54 o  108.315   16.213   30.549   8.2070   30.549   8.2070   0.0000   0.0000  108.315   16.213  ?   ?       ?      ? 
1 1 1    7   18   55 o   50.198   15.007   3.3264   5.9482   0.9730   7.6055   7.0334   9.5452   44.178   19.337   56.218   22.956 -12.04019 30.01496 
1 1 1    7   18   56 o   44.647   19.566   1.0648   7.8080   1.0648   7.8080   0.0000   0.0000   44.647   19.566  ?   ?       ?      ? 
1 1 1    7   18   57 o   54.085   15.985   6.2231   7.2510  -2.2626   11.753   11.438   9.2135   47.053   21.917   61.118   23.276 -14.06516 31.97037 
1 1 1    7   18   58 o   59.654   16.316   11.000   6.1846   10.029   12.095   11.344   7.1967   58.790   25.046   60.518   20.918 -1.727459 32.63207 
1 1 1    7   18   59 o   60.840   15.640   11.819   5.6440   13.740   9.0492   10.596   7.2206   63.537   23.292   58.144   20.879 5.393108 31.28009 
1 1 1    7   18   60 o   48.868   13.459   6.5008   4.4067   6.5580   5.8504   6.4258   6.6995   48.712   18.548   49.023   19.507 -0.3116455 26.91776 
1 1 1    7   18   61 o   36.654   11.819  -0.5697   4.4999   1.0004   6.4215  -2.0847   6.3077   38.699   17.309   34.609   16.099 4.090103 23.63832 
1 1 1    7   19    0 o  258.441   12.280  159.320   20.758  159.320   20.758  159.320   20.758  258.441   17.367  258.441   17.367 -0.000000 0.000000 
1 1 1    7   19    1 o  435.208   20.403  446.386   40.843  562.214   64.657  369.477   52.686  480.761   28.777  389.655   28.932 91.10620 40.80621 
1 1 1    7   19    2 o  431.197   23.875  486.013   44.799  354.258   70.796  574.007   57.857  374.486   40.451  487.908   25.373 -113.4220 47.75038 
1 1 1    7   19    3 o   73.389   10.494   14.301   3.4159   8.1355   5.4534   18.282   4.3820   58.572   18.096   88.205   10.630 -29.63236 20.98704 
1 1 1    7   19    4 o  140.575   11.460   44.661   6.5745   51.207   13.379   42.578   7.5488  146.648   19.521  134.503   12.009 12.14543 22.91903 
1 1 1    7   19    5 o  272.936   22.631  196.760   25.729  147.041   44.565  221.619   31.512  241.622   39.465  304.251   22.161 -62.62906 45.26155 
1 1 1    7   19    6 f  185.584   15.320   84.382   12.338   76.656   21.362   88.250   15.115  178.193   25.651  192.975   16.759 -14.78200 30.64086 
1 1 1    7   19    7 o  371.446   28.676  335.860   49.781   0.0000   0.0000  335.860   49.781  ?   ?   371.446   28.676      ?      ? 
1 1 1    7   19    8 o  473.723   29.870  548.370   66.130   0.0000   0.0000  548.370   66.130  ?   ?   473.723   29.870      ?      ? 
1 1 1    7   19    9 o  390.888   28.292  399.389   43.340  359.443   86.663  412.711   50.049  368.680   50.297  413.096   25.924 -44.41666 56.58455 
1 1 1    7   19   10 o  396.621   26.498  395.375   42.080  392.781   84.158  396.239   48.591  388.469   46.355  404.773   25.686 -16.30380 52.99594 
1 1 1    7   19   11 o  242.207   21.599  161.683   20.453  105.879   35.302  189.880   25.094  202.100   38.786  282.313   19.020 -80.21289 43.19857 
1 1 1    7   19   12 f  279.265   18.188  191.452   20.307  183.755   40.620  194.017   23.448  272.824   31.858  285.706   17.560 -12.88144 36.37698 
1 1 1    7   19   13 o  451.439   24.752  463.199   46.805  622.237   93.753  410.403   54.018  493.073   40.685  409.805   28.204 83.26801 49.50490 
1 1 1    7   19   14 o  156.042   13.715   58.712   9.3237   56.670   16.308   59.704   11.364  153.359   22.753  158.726   15.320 -5.367081 27.42999 
1 1 1    7   19   15 o   89.418   13.257   21.662   5.0525   13.814   9.0613   25.203   6.0865   75.503   23.326  103.333   12.603 -27.83044 26.51310 
1 1 1    7   19   16 o  216.848   13.940  111.498   12.273  115.345   24.522  110.212   14.177  217.955   24.074  215.740   14.061 2.215271 27.87909 
1 1 1    7   19   17 o  247.459   17.515  151.964   17.337  144.078   34.485  154.631   20.056  240.271   30.711  254.647   16.852 -14.37595 35.03054 
1 1 1    7   19   18 o  148.665   11.950   49.492   7.4426   60.334   14.701   45.755   8.6304  158.329   19.867  139.002   13.285 19.32649 23.89997 
1 1 1    7   19   19 o  203.373   17.370  102.072   16.019   73.492   22.236  132.904   23.096  172.291   27.616  234.456   21.078 -62.16527 34.74098 
1 1 1    7   19   20 o  273.288   19.401  176.722   23.766  214.265   41.097  157.859   29.131  292.604   30.053  253.971   24.543 38.63242 38.80144 
1 1 1    7   19   21 o  453.138   63.495  635.013  134.467  635.013  134.467   0.0000   0.0000  453.138   63.495  ?   ?       ?      ? 
1 1 1    7   19   22 o  121.677   19.705   35.723   11.205   35.723   11.205   0.0000   0.0000  121.677   19.705  ?   ?       ?      ? 
1 1 1    7   19   23 o  213.796   16.545  111.209   15.607  109.684   19.124  114.251   27.007  213.224   19.191  214.368   26.957 -1.143890 33.09051 
1 1 1    7   19   24 o  133.264   22.200   43.368   13.826   43.368   13.826   0.0000   0.0000  133.264   22.200  ?   ?       ?      ? 
1 1 1    7   19   25 o  167.715   23.923   69.333   18.751   69.333   18.751   0.0000   0.0000  167.715   23.923  ?   ?       ?      ? 
1 1 1    7   19   26 o  209.590   13.332  106.389   13.046  100.310   18.313  112.653   18.590  203.347   19.270  215.833   18.430 -12.48589 26.66454 
1 1 1    7   19   27 o  106.098   12.542   24.332   5.7181   18.608   6.7863   38.344   10.617   86.363   17.415  125.834   18.054 -39.47123 25.08462 
1 1 1    7   19   28 o   79.255   11.400   15.567   4.1418   18.253   5.7923   12.756   5.9248   87.330   14.192   71.180   17.844 16.14963 22.79975 
1 1 1    7   19   29 o  225.727   21.136  145.895   18.670  170.099   22.955   98.603   32.088  264.193   18.592  187.262   37.964 76.93114 42.27229 
1 1 1    7   19   30 o  197.724   19.092   99.283   17.611  105.499   24.898   93.060   24.912  204.460   26.057  190.988   27.910 13.47119 38.18301 
1 1 1    7   19   31 o  145.850   11.213   51.483   7.5857   57.835   10.642   44.920   10.816  155.358   14.657  136.342   16.974 19.01634 22.42645 
1 1 1    7   19   32 o  170.251   14.028   70.826   10.543   70.046   12.938   72.369   18.193  170.225   16.262  170.276   22.861 -0.5151367E-01 28.05545 
1 1 1    7   19   33 o  220.153   17.554  121.656   16.880  118.695   20.474  127.941   29.829  219.174   19.988  221.132   28.863 -1.957031 35.10852 
1 1 1    7   19   34 o   78.463   11.661   16.142   4.3434   24.399   6.0115   7.1239   6.2824  100.942   12.743   55.984   19.533 44.95789 23.32197 
1 1 1    7   19   35 o  199.315   15.678   95.340   13.845   86.770   16.785  113.584   24.491  187.645   19.140  210.986   24.838 -23.34061 31.35669 
1 1 1    7   19   36 o   81.396   17.544   16.747   6.4772   16.747   6.4772   0.0000   0.0000   81.396   17.544  ?   ?       ?      ? 
1 1 1    7   19   37 o  105.392   17.441   29.882   8.4670   34.391   11.303   24.115   12.781  115.813   21.679   94.971   27.327 20.84225 34.88180 
1 1 1    7   19   38 o   94.174   17.762   23.343   7.9405   22.496   10.774   24.350   11.748   92.485   24.526   95.863   25.698 -3.377563 35.52367 
1 1 1    7   19   39 o  154.318   16.738   58.202   12.072   0.0000   0.0000   58.202   12.072  ?   ?   154.318   16.738      ?      ? 
1 1 1    7   19   40 o  189.826   16.070   90.337   13.453   86.784   16.410   97.621   23.496  186.814   18.795  192.837   26.071 -6.022751 32.13997 
1 1 1    7   19   41 o   81.379   13.143   17.076   4.8744   18.075   6.5557   15.842   7.2896   84.485   17.188   78.273   19.887 6.212288 26.28562 
1 1 1    7   19   42 o   64.991   13.904   10.686   4.5943   9.3650   6.3262   12.161   6.6831   61.282   19.569   68.699   19.758 -7.416836 27.80878 
1 1 1    7   19   43 o  132.251   16.375   43.124   10.121   43.124   10.121   0.0000   0.0000  132.251   16.375  ?   ?       ?      ? 
1 1 1    7   19   44 o  127.210   17.684   43.920   10.128   43.975   13.995   43.860   14.677  127.762   24.327  126.658   25.674 1.104019 35.36844 
1 1 1    7   19   45 o   65.162   16.575   9.9346   6.5006   7.0476   8.8414   13.332   9.5907   58.784   22.697   71.540   24.161 -12.75508 33.14983 
1 1 1    7   19   46 o   47.100   14.487  -0.1189   6.0867   3.2653   7.7592  -5.5334   9.8144   50.057   20.598   44.144   20.376 5.913677 28.97326 
1 1 1    7   19   47 o   61.019   15.827   7.8678   5.3923   6.2801   6.3178   12.127   10.348   52.990   19.456   69.047   24.969 -16.05757 31.65424 
1 1 1    7   19   48 o   75.874   16.137   15.895   6.0485   16.679   7.3759   14.286   10.569   78.869   19.986   72.879   25.340 5.989441 32.27306 
1 1 1    7   19   49 o   46.240   13.555   1.8171   4.9702   5.6822   7.1297  -1.8370   6.9323   52.596   20.361   39.884   17.901 12.71191 27.11084 
1 1 1    7   19   50 o  125.641   17.250   44.424   9.4043   43.673   11.590   45.873   16.092  128.835   19.248  122.446   28.632 6.388916 34.50039 
1 1 1    7   19   51 o   69.712   22.815   13.490   8.5662   13.490   8.5662   0.0000   0.0000   69.712   22.815  ?   ?       ?      ? 
1 1 1    7   19   52 o   56.239   19.598   8.1761   6.3236   8.1761   6.3236   0.0000   0.0000   56.239   19.598  ?   ?       ?      ? 
1 1 1    7   19   53 o   54.681   16.006   4.6244   7.3680  -5.9429   11.701   11.568   9.4847   45.648   21.457   63.715   23.756 -18.06718 32.01218 
1 1 1    7   19   54 o   92.599   17.680   26.965   7.7190   28.074   9.5450   24.869   13.123   98.887   21.284   86.311   28.238 12.57551 35.36088 
1 1 1    7   19   55 o   74.497   17.318   17.858   6.9798   18.758   8.9543   16.466   11.142   77.791   23.015   71.203   25.885 6.587662 34.63663 
1 1 1    7   19   56 o   47.081   14.523   2.7982   5.4685   1.8711   6.4351   5.2075   10.374   41.760   18.037   52.403   22.767 -10.64276 29.04580 
1 1 1    7   19   57 o   43.351   13.990  -0.2319   6.0957  -1.0044   7.7115   1.0549   9.9522   40.243   18.385   46.460   21.093 -6.216812 27.98044 
1 1 1    7   19   58 o   47.809   14.951   3.3472   6.0866   5.7085   11.187   2.3542   7.2544   52.320   23.155   43.298   18.921 9.021477 29.90200 
1 1 1    7   19   59 o   37.452   12.380  -3.0628   5.1679   0.4300   8.4112  -5.1809   6.5500   42.357   19.292   32.547   15.519 9.809948 24.75928 
1 1 1    7   19   60 o   53.159   12.247   6.8126   4.7880   16.979   6.4083  -6.0338   7.2037   73.329   18.655   32.990   15.874 40.33968 24.49419 
1 1 1    7   20    0 o  110.693   8.3889   29.713   5.9594   29.713   5.9594   29.713   5.9594  110.693   11.864  110.693   11.864 -0.000000 0.000000 
1 1 1    7   20    1 o  464.850   21.548  522.068   46.142  586.353   73.013  479.319   59.539  487.007   32.079  442.693   28.778 44.31326 43.09552 
1 1 1    7   20    2 o  263.203   18.462  169.568   19.472  165.050   38.952  171.074   22.483  258.264   32.272  268.142   17.941 -9.877838 36.92384 
1 1 1    7   20    3 o   55.563   10.316   6.6722   2.8834   12.340   4.5802   2.9512   3.7112   71.020   14.294   40.106   14.878 30.91482 20.63230 
1 1 1    7   20    4 f  201.645   16.274  104.340   12.702   85.886   25.491  110.436   14.650  187.199   29.137  216.090   14.506 -28.89153 32.54835 
1 1 1    7   20    5 o  426.846   29.970  482.144   50.164  442.688  100.340  495.293   57.922  403.150   53.256  450.542   27.509 -47.39279 59.94073 
1 1 1    7   20    6 o  258.013   21.146  159.695   25.499   0.0000   0.0000  159.695   25.499  ?   ?   258.013   21.146      ?      ? 
1 1 1    7   20    7 o  326.138   21.256  255.366   32.399   0.0000   0.0000  255.366   32.399  ?   ?   326.138   21.256      ?      ? 
1 1 1    7   20    8 o  112.684   10.511   27.239   4.9682   36.758   9.9741   24.097   5.7296  124.282   17.172  101.087   12.128 23.19544 21.02289 
1 1 1    7   20    9 o  182.103   16.930   89.683   11.231   66.285   22.493   97.453   12.962  161.209   30.980  202.997   13.663 -41.78806 33.85917 
1 1 1    7   20   10 o  311.181   27.597  286.067   29.874  185.967   59.628  319.613   34.519  257.506   51.348  364.857   20.244 -107.3507 55.19481 
1 1 1    7   20   11 o  278.056   21.269  196.325   25.597  179.277   44.319  204.859   31.356  265.388   35.732  290.723   23.078 -25.33444 42.53720 
1 1 1    7   20   12 o  150.368   14.933   53.697   10.494   0.0000   0.0000   53.697   10.494  ?   ?   150.368   14.933      ?      ? 
1 1 1    7   20   13 o  167.622   23.214   68.336   18.185   0.0000   0.0000   68.336   18.185  ?   ?   167.622   23.214      ?      ? 
1 1 1    7   20   14 o  203.471   18.223   99.237   17.328   0.0000   0.0000   99.237   17.328  ?   ?   203.471   18.223      ?      ? 
1 1 1    7   20   15 o  229.122   28.785  130.622   30.823   0.0000   0.0000  130.622   30.823  ?   ?   229.122   28.785      ?      ? 
1 1 1    7   20   18 f  192.701   17.626   91.298   15.857   86.514   22.394   96.109   22.455  187.388   25.571  198.015   24.265 -10.62682 35.25126 
1 1 1    7   20   19 o  181.155   16.382   87.005   12.040   98.172   14.810   65.242   20.675  202.831   15.623  159.479   28.800 43.35201 32.76436 
1 1 1    7   20   20 o   95.015   11.735   21.405   4.8822   20.067   6.0328   23.946   8.3111   91.856   14.053   98.173   18.799 -6.316460 23.47093 
1 1 1    7   20   21 o   89.801   12.194   18.543   4.7286   15.288   5.7596   25.273   8.2819   78.563   16.224  101.040   18.208 -22.47729 24.38778 
1 1 1    7   20   22 o  296.839   17.240  218.270   23.806  195.032   33.631  241.607   33.702  280.070   25.694  313.607   22.995 -33.53702 34.48073 
1 1 1    7   20   23 o  130.179   10.341   40.443   6.2888   39.153   8.7439   41.825   9.0515  128.034   14.613  132.324   14.636 -4.290894 20.68254 
1 1 1    7   20   24 o  186.437   12.146   84.479   10.404   66.478   14.573  103.187   14.857  165.429   18.849  207.446   15.324 -42.01691 24.29257 
1 1 1    7   20   25 o  181.033   12.153   79.309   10.277   80.853   14.423   77.716   14.648  182.936   16.870  179.130   17.498 3.806290 24.30546 
1 1 1    7   20   26 o  231.066   15.178  132.059   16.364  139.316   23.046  124.680   23.240  237.898   20.729  224.234   22.177 13.66379 30.35587 
1 1 1    7   20   27 o   96.949   11.625   23.676   4.9936   29.322   6.8928   17.439   7.2443  110.848   13.305   83.049   19.067 27.79941 23.25070 
1 1 1    7   20   28 o  137.135   15.314   47.128   8.6047   47.392   10.232   46.490   15.904  140.432   15.589  133.838   26.364 6.594147 30.62855 
1 1 1    7   20   29 o  144.865   11.734   51.223   7.8472   58.646   10.925   43.313   11.278  156.266   14.960  133.465   18.082 22.80081 23.46791 
1 1 1    7   20   30 o   99.640   11.725   24.225   5.2712   19.333   7.1521   30.044   7.7992   87.576   18.074  111.703   14.940 -24.12701 23.44903 
1 1 1    7   20   31 o  337.101   27.053  320.639   39.819  317.242   48.789  327.414   68.911  345.810   30.189  328.392   44.900 17.41727 54.10546 
1 1 1    7   20   32 o  102.523   14.508   29.637   6.4076   36.058   7.9571   17.794   10.807  122.430   13.907   82.617   25.466 39.81350 29.01545 
1 1 1    7   20   33 o  147.469   13.996   51.906   8.9331   48.961   10.656   58.870   16.386  142.063   16.050  152.876   22.935 -10.81212 27.99285 
1 1 1    7   20   34 o  160.074   17.259   69.431   11.112   75.273   13.411   56.631   19.849  176.042   16.300  144.107   30.427 31.93538 34.51828 
1 1 1    7   20   35 o   91.799   16.208   22.015   7.9677   34.735   10.860   7.1841   11.726  118.604   19.592   64.994   25.825 53.60975 32.41552 
1 1 1    7   20   36 o   93.009   17.239   23.271   8.0902   32.445   10.987   12.405   11.957  112.470   21.688   73.548   26.803 38.92188 34.47852 
1 1 1    7   20   37 o   53.059   13.427   4.9326   4.9887  -5.3693   8.2684   10.829   6.2555   40.741   18.769   65.378   19.206 -24.63637 26.85424 
1 1 1    7   20   38 o  144.138   18.712   56.020   12.178   64.441   16.844   46.798   17.628  158.795   22.697  129.482   29.755 29.31297 37.42333 
1 1 1    7   20   39 o  112.113   25.074   33.541   12.809   33.541   12.809   0.0000   0.0000  112.113   25.074  ?   ?       ?      ? 
1 1 1    7   20   40 o  178.462   19.212   84.583   16.000   87.155   22.328   81.869   22.940  181.956   26.257  174.967   28.054 6.989838 38.42419 
1 1 1    7   20   41 f   88.670   14.212   23.362   6.6479   3.7865   10.898   34.962   8.3894   57.728   24.139  119.613   15.008 -61.88475 28.42406 
1 1 1    7   20   42 o   53.759   14.676   5.1109   5.1745   7.9633   8.1747   3.2039   6.6840   59.740   22.098   47.778   19.320 11.96226 29.35286 
1 1 1    7   20   43 o   76.582   15.519   15.589   5.7799   15.903   9.0399   15.371   7.5172   76.982   23.204   76.182   20.613 0.8007050 31.03758 
1 1 1    7   20   44 f   79.302   24.428   17.180   9.9464   17.180   9.9464   0.0000   0.0000   79.302   24.428  ?   ?       ?      ? 
1 1 1    7   20   45 o   56.736   18.956   8.0066   5.9028   8.0066   5.9028   0.0000   0.0000   56.736   18.956  ?   ?       ?      ? 
1 1 1    7   20   46 o  106.031   17.371   28.387   8.6078   28.387   8.6078   0.0000   0.0000  106.031   17.371  ?   ?       ?      ? 
1 1 1    7   20   47 o   52.200   13.731   3.6494   5.8014 -18.2373   11.193   11.688   6.7837   38.150   18.679   66.251   20.131 -28.10054 27.46151 
1 1 1    7   20   48 o   47.718   15.560  -4.5133   8.0296  -2.3166   10.431  -7.7083   12.580   47.816   21.663   47.620   22.341 0.1965599 31.11952 
1 1 1    7   20   49 o  139.542   17.238   50.006   11.242   50.006   11.242   0.0000   0.0000  139.542   17.238  ?   ?       ?      ? 
1 1 1    7   20   50 o  188.085   15.923   90.001   13.996   90.001   13.996   0.0000   0.0000  188.085   15.923  ?   ?       ?      ? 
1 1 1    7   20   51 o   64.252   25.421   10.851   11.318   10.851   11.318   0.0000   0.0000   64.252   25.421  ?   ?       ?      ? 
1 1 1    7   20   52 f   60.523   14.027   7.6195   5.1183   0.5774   6.5217   18.913   8.2590   40.984   17.924   80.062   21.582 -39.07858 28.05452 
1 1 1    7   20   53 o   48.830   14.902   2.8259   5.7771   2.3549   10.755   3.0169   6.8492   51.894   22.848   45.766   19.137 6.127705 29.80327 
1 1 1    7   20   54 f   79.797   16.627   21.566   6.6858   23.472   7.8531   16.548   12.744   90.128   19.230   69.465   27.130 20.66309 33.25405 
1 1 1    7   20   55 o   42.916   13.782  -4.9061   6.0557 -12.4153   7.6324   7.8536   9.9491   30.645   15.088   55.186   23.069 -24.54157 27.56497 
1 1 1    7   20   56 o   42.742   13.621   0.4556   5.8020   2.5535   7.8127  -2.1242   8.6636   44.648   19.570   40.836   18.952 3.811703 27.24263 
1 1 1    7   20   57 o   48.322   14.818   4.1529   6.1683   1.9283   8.2459   6.9792   9.2946   44.355   19.742   52.289   22.102 -7.934544 29.63536 
1 1 1    7   20   58 o   55.560   15.128   9.6541   5.5773   13.649   8.4681   6.5934   7.4120   62.026   22.563   49.094   20.159 12.93205 30.25654 
1 1 1    7   21    0 o  578.988   32.496  858.279  122.552  858.279  122.552  858.279  122.552  578.988   45.957  578.988   45.957 -0.000000 0.000000 
1 1 1    7   21    1 o  132.085   13.774   43.747   7.6122   38.996   13.233   46.096   9.3063  124.782   23.554  139.388   14.286 -14.60662 27.54805 
1 1 1    7   21    2 o   91.138   12.949   20.741   5.0916   18.867   8.8342   21.673   6.2305   86.667   21.824   95.609   13.944 -8.942352 25.89824 
1 1 1    7   21    3 o  160.335   15.921   61.226   11.930   0.0000   0.0000   61.226   11.930  ?   ?   160.335   15.921      ?      ? 
1 1 1    7   21    4 f  398.729   33.247  402.908   61.955   0.0000   0.0000  402.908   61.955  ?   ?   398.729   33.247      ?      ? 
1 1 1    7   21    5 o  151.080   15.204   54.287   10.735   0.0000   0.0000   54.287   10.735  ?   ?   151.080   15.204      ?      ? 
1 1 1    7   21    6 o  196.819   17.238   92.609   15.856   0.0000   0.0000   92.609   15.856  ?   ?   196.819   17.238      ?      ? 
1 1 1    7   21    7 o  124.021   14.041   36.495   8.1384   0.0000   0.0000   36.495   8.1384  ?   ?   124.021   14.041      ?      ? 
1 1 1    7   21    8 o  193.217   16.526   89.101   14.923   0.0000   0.0000   89.101   14.923  ?   ?   193.217   16.526      ?      ? 
1 1 1    7   21    9 o  302.474   37.106  236.879   52.454   0.0000   0.0000  236.879   52.454  ?   ?   302.474   37.106      ?      ? 
1 1 1    7   21   10 o  100.824   20.468   25.354   9.3152   0.0000   0.0000   25.354   9.3152  ?   ?   100.824   20.468      ?      ? 
1 1 1    7   21   11 o  122.516   20.085   36.204   11.500   0.0000   0.0000   36.204   11.500  ?   ?   122.516   20.085      ?      ? 
1 1 1    7   21   12 o  239.791   29.781  144.062   33.374   0.0000   0.0000  144.062   33.374  ?   ?   239.791   29.781      ?      ? 
1 1 1    7   21   14 o  298.603   22.256  226.141   29.107  225.702   50.483  226.359   35.625  294.134   36.725  303.072   25.152 -8.938568 44.51206 
1 1 1    7   21   15 o  148.669   13.073   53.018   8.5559   53.798   14.851   52.630   10.468  148.752   21.363  148.587   15.074 0.1650085 26.14535 
1 1 1    7   21   16 o  129.622   11.864   38.282   6.8262   46.683   12.097   34.357   8.2683  139.169   18.600  120.076   14.734 19.09353 23.72826 
1 1 1    7   21   17 o  170.034   16.696   71.187   13.240   75.707   18.636   66.581   18.813  175.818   22.680  164.250   24.508 11.56805 33.39198 
1 1 1    7   21   18 o  241.194   12.782  139.019   14.172  147.022   22.385  133.666   18.309  246.354   19.443  236.034   16.598 10.32014 25.56372 
1 1 1    7   21   19 o   92.349   12.586   23.440   4.5375   16.101   8.9024   26.016   5.2739   79.804   22.757  104.894   10.758 -25.09032 25.17199 
1 1 1    7   21   20 o  266.683   15.650  175.440   19.404  155.401   27.372  195.685   27.512  250.557   23.375  282.808   20.815 -32.25044 31.29989 
1 1 1    7   21   21 o  261.158   14.251  163.717   17.155  185.877   27.112  148.921   22.153  275.061   21.090  247.255   19.171 27.80608 28.50139 
1 1 1    7   21   22 o   84.177   10.358   17.263   3.9831   16.330   5.6635   18.175   5.6029   81.163   15.496   87.191   13.750 -6.028259 20.71673 
1 1 1    7   21   23 o  349.177   26.655  336.201   40.427  327.671   69.891  340.490   49.560  335.372   44.591  362.983   29.215 -27.61124 53.30931 
1 1 1    7   21   24 o  147.769   10.681   52.374   7.3689   49.289   10.291   55.621   10.557  143.235   15.373  152.302   14.831 -9.067123 21.36105 
1 1 1    7   21   25 o  245.206   15.001  147.889   17.188  144.386   24.235  151.433   24.381  242.170   21.413  248.242   21.016 -6.071686 30.00292 
1 1 1    7   21   26 o   94.156   11.340   21.828   4.8382   23.365   6.6154   20.061   7.0940   98.753   14.334   89.559   17.576 9.193703 22.68024 
1 1 1    7   21   27 o  129.704   14.533   44.264   7.7551   48.207   9.4723   36.249   13.506  141.699   14.304  117.710   25.303 23.98895 29.06622 
1 1 1    7   21   28 o   99.267   11.560   24.705   5.1208   27.507   6.8687   21.199   7.6834  107.036   13.731   91.498   18.602 15.53755 23.12063 
1 1 1    7   21   29 o  164.339   12.077   65.909   9.2745   64.714   13.060   67.124   13.173  162.801   17.165  165.876   16.992 -3.074753 24.15322 
1 1 1    7   21   30 o  157.562   16.186   60.289   11.919   60.289   11.919   0.0000   0.0000  157.562   16.186  ?   ?       ?      ? 
1 1 1    7   21   31 o  121.113   15.678   38.866   7.7312   41.042   9.1997   33.633   14.264  130.350   15.102  111.875   27.480 18.47533 31.35623 
1 1 1    7   21   32 o   80.120   14.793   12.874   5.2711   7.9819   6.1075   27.155   10.435   57.930   19.279  102.310   22.442 -44.38057 29.58596 
1 1 1    7   21   33 o   68.984   16.885   10.552   6.7223   6.5808   8.8880   15.860   10.276   59.259   22.791   78.709   24.920 -19.44971 33.77049 
1 1 1    7   21   34 o  172.721   18.176   76.563   14.646   77.413   20.224   75.625   21.240  174.241   24.835  171.200   26.546 3.040268 36.35261 
1 1 1    7   21   35 o  113.988   16.818   34.377   8.7929   28.441   12.903   39.524   12.015  102.357   26.695  125.620   20.465 -23.26312 33.63682 
1 1 1    7   21   36 o   75.126   15.212   13.150   5.4435   20.685   9.5138   9.4828   6.6374   88.372   22.862   61.880   20.075 26.49157 30.42483 
1 1 1    7   21   37 o   95.964   15.683   23.396   6.2885   22.629   7.3424   25.507   12.182   94.771   17.211   97.157   26.221 -2.386597 31.36525 
1 1 1    7   21   38 o   81.736   17.479   16.883   7.4692   10.706   9.9680   24.792   11.279   67.609   24.497   95.863   24.938 -28.25411 34.95776 
1 1 1    7   21   39 o   70.890   17.419   12.672   7.1248   14.652   9.4008   9.9990   10.921   74.716   23.855   67.064   25.389 7.651909 34.83749 
1 1 1    7   21   40 o  112.830   17.746   31.758   9.3579   0.0000   0.0000   31.758   9.3579  ?   ?   112.830   17.746      ?      ? 
1 1 1    7   21   41 o   45.865   13.601   1.3216   5.0851  -2.9557   7.8456   4.4201   6.6776   41.712   18.853   50.017   19.609 -8.304802 27.20222 
1 1 1    7   21   43 o   93.341   26.275   24.747   11.947   0.0000   0.0000   24.747   11.947  ?   ?    93.341   26.275      ?      ? 
1 1 1    7   21   44 o   74.752   16.625   14.417   6.9309   7.1083   9.5553   22.532   10.068   59.394   23.403   90.110   23.620 -30.71526 33.25083 
1 1 1    7   21   45 o   57.895   14.679   7.6534   5.6552  -1.7999   9.6886   12.539   6.9648   47.307   21.202   68.482   20.306 -21.17458 29.35767 
1 1 1    7   21   46 o  115.158   18.427   38.704   10.126   26.119   14.154   51.893   14.491   91.924   29.263  138.393   22.405 -46.46808 36.85482 
1 1 1    7   21   47 f  109.713   28.612   37.141   14.823   37.141   14.823   0.0000   0.0000  109.713   28.612  ?   ?       ?      ? 
1 1 1    7   21   48 o   54.228   23.218   3.2962   10.487   3.2962   10.487   0.0000   0.0000   54.228   23.218  ?   ?       ?      ? 
1 1 1    7   21   49 o   86.008   16.921   20.474   7.8247   8.6863   10.409   35.787   11.864   60.865   24.285  111.151   23.571 -50.28622 33.84299 
1 1 1    7   21   50 o   56.019   15.258   7.6660   5.7284   10.360   8.1529   5.0388   8.0504   60.951   22.144   51.087   20.997 9.863640 30.51586 
1 1 1    7   21   51 o   49.396   14.496   4.0563   5.5313   5.4686   7.6905   2.5428   7.9613   51.503   20.760   47.289   20.238 4.214363 28.99182 
1 1 1    7   21   52 o   55.514   14.399   8.2278   5.0434   10.569   6.6570   5.0730   7.7271   60.788   20.123   50.239   20.600 10.54933 28.79779 
1 1 1    7   21   53 o  105.494   15.949   25.836   6.4631   18.876   7.1669   56.142   14.955   79.904   19.389  131.085   25.329 -51.18053 31.89794 
1 1 1    7   21   54 o   53.616   16.027   6.7883   6.6354   5.3339   8.2190   9.5102   11.244   49.547   20.855   57.684   24.342 -8.136395 32.05424 
1 1 1    7   21   55 f   68.671   27.726   19.058   13.743   0.0000   0.0000   19.058   13.743  ?   ?    68.671   27.726      ?      ? 
1 1 1    7   21   56 o   68.394   17.816   14.188   7.0267   8.4277   8.2981   28.784   13.210   53.596   21.578   83.191   28.354 -29.59436 35.63134 
1 1 1    7   21   57 o   49.919   13.959   7.3364   4.6502   7.1895   5.6407   7.6480   8.2161   49.081   18.316   50.758   21.069 -1.676899 27.91758 
1 1 1    7   22    0 o  293.532   26.795  222.196   49.600  222.196   49.600  222.196   49.600  293.532   37.894  293.532   37.894 -0.000000 0.000000 
1 1 1    7   22    1 o   88.050   14.809   19.564   6.0675   23.933   8.5832   15.200   8.5783   98.080   19.412   78.020   22.369 20.06008 29.61770 
1 1 1    7   22    2 o  200.404   19.087  111.281   15.013  130.026   18.418   74.166   25.916  233.108   16.906  167.700   34.226 65.40775 38.17345 
1 1 1    7   22    3 o   69.398   14.743   11.795   5.1817   10.541   7.2873   13.077   7.3696   66.248   20.987   72.549   20.711 -6.300720 29.48593 
1 1 1    7   22    4 o  392.326   36.568  441.611   67.015  454.851   94.773  428.371   94.774  399.548   50.754  385.104   52.659 14.44412 73.13633 
1 1 1    7   22    5 o   91.975   12.346   19.688   4.8420   24.748   8.6740   17.397   5.8359   99.765   19.302   84.185   15.401 15.57996 24.69283 
1 1 1    7   22    6 o   87.491   13.859   18.707   5.7350   12.372   7.8622   25.911   8.3841   71.021   21.692  103.962   17.256 -32.94105 27.71877 
1 1 1    7   22    7 o  248.621   19.599  158.104   21.019  142.538   36.443  165.863   25.730  235.883   33.058  261.360   21.065 -25.47771 39.19886 
1 1 1    7   22    8 o   91.924   12.931   22.592   5.1038   15.280   8.6458   26.503   6.3230   78.121   22.474  105.727   12.797 -27.60610 25.86191 
1 1 1    7   22    9 o  235.531   16.029  127.240   16.925  167.114   29.485  107.645   20.669  260.598   24.210  210.464   21.014 50.13449 32.05746 
1 1 1    7   22   10 o   79.525   14.338   15.493   5.1329   0.0000   0.0000   15.493   5.1329  ?   ?    79.525   14.338      ?      ? 
1 1 1    7   22   11 o   92.240   14.757   21.557   6.2096   19.778   9.0815   23.119   8.5098   88.333   22.063   96.148   19.603 -7.815178 29.51385 
1 1 1    7   22   12 o   54.538   20.340   5.6982   6.9539   0.0000   0.0000   5.6982   6.9539  ?   ?    54.538   20.340      ?      ? 
1 1 1    7   22   13 o  305.832   25.280  232.363   36.134   0.0000   0.0000  232.363   36.134  ?   ?   305.832   25.280      ?      ? 
1 1 1    7   22   14 o   71.722   12.403   14.133   4.2808   6.2647   7.5872   17.808   5.1848   56.875   21.239   86.568   12.815 -29.69343 24.80607 
1 1 1    7   22   15 o  247.612   18.452  152.479   20.161  157.722   34.855  149.842   24.716  248.011   30.072  247.213   21.392 0.7987518 36.90442 
1 1 1    7   22   16 o  117.864   11.714   30.908   6.1837   43.577   10.788   24.709   7.5465  134.339   17.183  101.389   15.926 32.95034 23.42824 
1 1 1    7   22   17 o  195.103   12.621   82.297   10.318  116.263   20.858   71.293   11.872  217.728   20.499  172.477   14.728 45.25043 25.24119 
1 1 1    7   22   18 o  178.524   13.390   71.870   10.727  102.442   18.554   56.520   13.148  204.691   19.396  152.357   18.465 52.33369 26.77930 
1 1 1    7   22   19 o  108.884   9.0830   28.126   4.5453   29.069   7.1540   27.487   5.8859  110.224   13.888  107.545   11.711 2.678062 18.16608 
1 1 1    7   22   20 o  175.112   10.188   72.881   8.1890   76.375   12.978   70.569   10.556  178.212   15.582  172.012   13.131 6.200775 20.37674 
1 1 1    7   22   21 o   41.298   10.742   3.2064   2.7095   4.1101   4.1458   2.5326   3.5799   44.357   15.832   38.239   14.522 6.118473 21.48326 
1 1 1    7   22   22 o  157.318   10.453   62.635   7.2385   45.151   11.176   75.271   9.5006  136.536   17.514  178.101   11.414 -41.56586 20.90536 
1 1 1    7   22   23 o  168.881   12.275   70.050   9.4921   85.308   13.394   54.656   13.454  188.312   15.219  149.449   19.262 38.86353 24.54920 
1 1 1    7   22   24 o   68.312   13.518   10.709   4.2064   8.8106   5.0108   15.241   7.7406   59.474   17.109   77.150   20.935 -17.67600 27.03669 
1 1 1    7   22   25 o   95.980   10.750   22.358   4.6801   18.867   6.3412   26.535   6.9361   86.931   16.204  105.028   14.131 -18.09728 21.50023 
1 1 1    7   22   26 o  133.923   12.163   41.462   7.3047   36.041   8.9360   52.379   12.682  121.927   15.682  145.919   18.596 -23.99253 24.32553 
1 1 1    7   22   27 f  131.711   14.192   44.720   7.7510   46.908   9.4174   40.126   13.647  139.516   14.443  123.906   24.435 15.61047 28.38459 
1 1 1    7   22   28 o   37.253   11.932  -1.7944   3.8183  -1.1926   4.3335  -3.8836   8.0740   32.601   14.420   41.905   19.015 -9.304714 23.86462 
1 1 1    7   22   29 o   55.622   21.411   5.6642   7.8494   5.6642   7.8494   0.0000   0.0000   55.622   21.411  ?   ?       ?      ? 
1 1 1    7   22   30 o  229.229   31.065  140.269   33.280  140.269   33.280   0.0000   0.0000  229.229   31.065  ?   ?       ?      ? 
1 1 1    7   22   31 o  279.261   26.480  219.241   34.520  207.682   48.537  231.072   49.105  270.629   38.376  287.892   36.496 -17.26328 52.95935 
1 1 1    7   22   32 o   74.446   16.561   14.106   6.4366   15.471   9.2545   12.827   8.9582   77.372   23.513   71.520   23.328 5.851227 33.12189 
1 1 1    7   22   33 o   89.466   17.879   21.751   7.9048   25.023   10.672   17.773   11.766   96.911   23.749   82.022   26.734 14.88963 35.75893 
1 1 1    7   22   34 o   50.275   14.468   0.5010   4.8130  -2.3378   5.5267   9.4122   9.7918   35.311   15.904   65.239   24.175 -29.92825 28.93688 
1 1 1    7   22   35 o  107.182   15.054   30.909   6.9241   24.949   11.869   33.984   8.5250   96.174   25.851  118.189   15.434 -22.01516 30.10757 
1 1 1    7   22   36 o   74.131   15.069   15.043   5.6546   9.1056   9.6501   18.148   6.9781   64.215   23.959   84.048   18.285 -19.83343 30.13894 
1 1 1    7   22   37 o   54.953   13.411   6.7426   4.3463   3.5466   6.0977   10.043   6.1967   47.117   18.654   62.789   19.272 -15.67128 26.82105 
1 1 1    7   22   38 o   57.410   13.358   5.2148   4.5935   15.399   7.5928  -0.6649   5.7690   76.356   20.740   38.464   16.839 37.89164 26.71502 
1 1 1    7   22   39 o  107.014   17.012   31.157   8.3310   26.364   11.634   36.200   11.935   97.619   25.296  116.409   22.753 -18.79008 34.02332 
1 1 1    7   22   40 o   46.371   14.077  -0.8789   5.8440   5.1087   8.1051  -7.3626   8.4341   53.985   21.464   38.758   18.218 15.22746 28.15334 
1 1 1    7   22   41 o  123.398   17.971   42.176   10.014   37.996   13.784   46.847   14.573  116.310   26.010  130.485   24.804 -14.17568 35.94101 
1 1 1    7   22   43 o  108.595   28.282   34.787   14.496   34.787   14.496   0.0000   0.0000  108.595   28.282  ?   ?       ?      ? 
1 1 1    7   22   45 o   55.457   23.538   4.1392   10.610   4.1392   10.610   0.0000   0.0000   55.457   23.538  ?   ?       ?      ? 
1 1 1    7   22   46 o  121.758   25.603   43.052   14.107   43.052   14.107   0.0000   0.0000  121.758   25.603  ?   ?       ?      ? 
1 1 1    7   22   48 o   73.424   22.844   16.099   8.6735   0.0000   0.0000   16.099   8.6735  ?   ?    73.424   22.844      ?      ? 
1 1 1    7   22   49 o   91.037   15.589   25.740   7.0478   15.459   10.897   33.134   9.2408   70.802   25.619  111.271   17.770 -40.46883 31.17882 
1 1 1    7   22   50 o  149.452   23.352   79.374   15.922   70.192   22.340   88.854   22.699  136.942   34.826  161.962   31.119 -25.02054 46.70366 
1 1 1    7   22   51 o   54.473   14.995   7.0591   6.3706  -5.5421   11.181   13.117   7.7522   43.711   20.678   65.236   21.721 -21.52461 29.98965 
1 1 1    7   22   52 o   52.946   15.473   6.0095   5.5138   4.2972   6.3649   11.158   11.037   45.597   18.697   60.295   24.660 -14.69783 30.94645 
1 1 1    7   22   53 o   91.996   17.765   24.362   7.0613   17.843   8.0968   45.070   14.431   73.885   21.891  110.107   27.985 -36.22110 35.52992 
1 1 1    7   22   54 o   48.769   15.624  -1.9079   8.0216 -12.7690   10.623   12.500   12.235   36.866   18.080   60.673   25.487 -23.80742 31.24851 
1 1 1    7   22   55 f   38.421   13.270 -10.0765   7.7702  -8.6707   10.140 -12.0763   12.094   37.713   18.311   39.128   19.210 -1.414696 26.53928 
1 1 1    7   23    0 o  436.415   19.692  467.358   56.269  467.358   56.269  467.358   56.269  436.415   27.848  436.415   27.848 -0.000000 0.000000 
1 1 1    7   23    1 o  132.385   8.4002   41.678   5.1555   48.138   7.3437   35.399   7.2395  142.667   11.014  122.103   12.686 20.56390 16.80048 
1 1 1    7   23    2 o  191.603   13.682   85.377   10.798   96.954   21.546   81.494   12.477  198.384   23.239  184.822   14.445 13.56258 27.36302 
1 1 1    7   23    3 o  184.976   10.626   79.165   9.0378   99.757   14.339   65.591   11.642  204.298   15.018  165.654   15.037 38.64458 21.25195 
1 1 1    7   23    4 o  154.429   13.178   56.577   8.9949   61.230   15.722   54.314   10.967  158.258   21.257  150.599   15.582 7.659302 26.35622 
1 1 1    7   23    5 o  104.800   11.280   23.182   4.9841   44.013   8.8858   13.619   6.0203  135.867   13.994   73.733   17.696 62.13472 22.56058 
1 1 1    7   23    6 o  172.682   14.816   73.955   11.099   69.836   19.380   75.965   13.539  167.538   24.751  177.826   16.291 -10.28816 29.63155 
1 1 1    7   23    7 o  335.935   31.349  319.613   49.125  338.573   69.502  300.685   69.444  347.972   42.738  323.899   45.876 24.07318 62.69853 
1 1 1    7   23    8 o  260.354   33.231  177.633   40.434   0.0000   0.0000  177.633   40.434  ?   ?   260.354   33.231      ?      ? 
1 1 1    7   23    9 o  165.301   14.194   66.754   10.314   66.729   17.855   66.767   12.636  164.031   23.291  166.572   16.232 -2.541016 28.38898 
1 1 1    7   23   10 o  261.578   20.369  177.559   23.140  167.489   40.029  182.612   28.358  251.345   34.077  271.810   22.324 -20.46571 40.73832 
1 1 1    7   23   11 f  336.812   26.775  287.754   42.147   0.0000   0.0000  287.754   42.147  ?   ?   336.812   26.775      ?      ? 
1 1 1    7   23   12 o   96.205   14.882   23.100   6.7157   15.646   9.1952   31.622   9.8316   78.438   23.349  113.971   18.458 -35.53282 29.76349 
1 1 1    7   23   13 o  118.451   12.185   32.655   6.4596   38.699   11.183   29.629   7.9131  125.893   19.008  111.010   15.253 14.88226 24.37084 
1 1 1    7   23   14 o  197.669   15.464   95.407   13.521  100.780   23.418   92.721   16.559  200.070   25.045  195.267   18.146 4.803589 30.92761 
1 1 1    7   23   15 o  160.181   14.656   64.903   10.141   57.543   17.493   68.628   12.446  151.484   24.710  168.878   15.769 -17.39458 29.31270 
1 1 1    7   23   16 o  204.975   19.289  114.932   15.917   87.389   27.543  128.745   19.504  179.606   34.059  230.343   18.118 -50.73643 38.57817 
1 1 1    7   23   17 o  157.018   13.093   58.381   9.1122   64.872   15.920   55.217   11.113  162.486   20.964  151.550   15.690 10.93639 26.18512 
1 1 1    7   23   18 o  203.475   16.228  105.608   14.259   94.950   24.666  110.958   17.476  192.984   27.348  213.967   17.476 -20.98260 32.45512 
1 1 1    7   23   19 o  152.657   12.641   52.608   8.6654   73.375   15.003   42.213   10.615  173.408   18.513  131.906   17.219 41.50200 25.28290 
1 1 1    7   23   20 o  124.653   14.164   41.381   7.2571   31.913   12.467   46.233   8.9251  110.433   24.766  138.872   13.752 -28.43899 28.32771 
1 1 1    7   23   21 o  218.754   14.409  120.564   14.251  154.060   20.182   87.256   20.125  251.408   17.177  186.100   23.139 65.30853 28.81802 
1 1 1    7   23   22 o   37.463   10.524   1.3343   2.9036  -1.2173   4.1252   3.8397   4.0876   31.673   14.037   43.254   15.685 -11.58163 21.04885 
1 1 1    7   23   23 o  123.707   10.235   36.909   5.9155   37.680   8.3296   36.124   8.4023  125.069   14.250  122.345   14.695 2.724358 20.47005 
1 1 1    7   23   24 f   56.922   11.129   4.0691   3.6613   17.164   6.4008  -2.2990   4.4637   82.530   17.155   31.315   14.181 51.21452 22.25741 
1 1 1    7   23   25 o  105.881   22.201   28.976   10.635   28.976   10.635   0.0000   0.0000  105.881   22.201  ?   ?       ?      ? 
1 1 1    7   23   26 o  160.826   23.535   65.421   17.690   65.421   17.690   0.0000   0.0000  160.826   23.535  ?   ?       ?      ? 
1 1 1    7   23   27 o  207.576   22.244  117.605   20.337   87.381   28.799  147.673   28.725  175.084   36.383  240.068   25.602 -64.98424 44.48798 
1 1 1    7   23   28 o  301.162   22.102  232.935   29.659  273.597   51.540  212.803   36.265  315.371   34.968  286.952   27.042 28.41937 44.20469 
1 1 1    7   23   29 f  131.261   15.246   44.819   8.4192   40.391   14.531   47.057   10.330  123.312   26.031  139.210   15.878 -15.89812 30.49102 
1 1 1    7   23   30 o  298.775   24.398  230.646   34.067   0.0000   0.0000  230.646   34.067  ?   ?   298.775   24.398      ?      ? 
1 1 1    7   23   31 o  119.122   11.583   34.784   6.4197   35.113   8.7106   34.392   9.4980  120.016   15.530  118.228   17.190 1.787994 23.16590 
1 1 1    7   23   32 o  372.521   34.364  446.481   55.417  436.749   67.818  466.038   96.136  388.486   37.353  356.556   57.692 31.92978 68.72851 
1 1 1    7   23   33 o  224.766   14.563  127.280   15.228  113.515   21.406  141.384   21.668  211.605   21.646  237.928   19.487 -26.32256 29.12516 
1 1 1    7   23   34 o   53.181   13.585   3.2670   5.1364  -5.2517   7.1400   12.404   7.3945   37.131   17.223   69.232   21.013 -32.10136 27.16968 
1 1 1    7   23   35 o   86.225   15.820   21.059   6.4029   23.875   7.5160   13.608   12.226   98.352   16.352   74.099   27.088 24.25352 31.64042 
1 1 1    7   23   36 o  116.591   17.028   36.589   9.1326   43.878   12.927   29.325   12.904  130.766   21.152  102.417   26.690 28.34841 34.05508 
1 1 1    7   23   37 o  147.644   16.498   54.110   11.384   0.0000   0.0000   54.110   11.384  ?   ?   147.644   16.498      ?      ? 
1 1 1    7   23   39 o  124.063   16.943   43.121   9.7619   70.386   14.175   18.521   13.464  166.673   18.197   81.453   28.585 85.22044 33.88546 
1 1 1    7   23   40 o   88.130   23.745   21.598   10.000   21.598   10.000   0.0000   0.0000   88.130   23.745  ?   ?       ?      ? 
1 1 1    7   23   41 o  114.234   18.971   37.322   9.9635   43.419   14.745   32.200   13.516  123.392   26.370  105.077   27.282 18.31506 37.94273 
1 1 1    7   23   42 o   73.265   26.573   14.851   11.733   14.851   11.733   0.0000   0.0000   73.265   26.573  ?   ?       ?      ? 
1 1 1    7   23   44 o   88.978   25.442   23.321   11.112   23.321   11.112   0.0000   0.0000   88.978   25.442  ?   ?       ?      ? 
1 1 1    7   23   46 o   49.027   13.895   1.6445   5.7513   10.668   7.7414  -9.4710   8.5920   61.883   21.678   36.172   17.387 25.71146 27.78914 
1 1 1    7   23   47 o   67.093   14.565   13.039   5.0619   11.006   7.3056   14.916   7.0201   62.194   21.087   71.992   20.097 -9.797047 29.13001 
1 1 1    7   23   48 o  138.271   15.932   52.701   9.5150   63.203   16.719   47.669   11.572  143.720   25.841  132.821   18.642 10.89931 31.86339 
1 1 1    7   23   49 o   66.720   25.934   14.376   11.603   14.376   11.603   0.0000   0.0000   66.720   25.934  ?   ?       ?      ? 
1 1 1    7   23   50 o   49.291   14.380  -0.7511   6.1424 -11.3969   7.9994   14.543   9.5881   32.303   15.811   66.279   24.024 -33.97501 28.76002 
1 1 1    7   23   51 o   62.206   17.749   13.028   7.8576   13.318   9.7874   12.501   13.179   62.912   23.982   61.500   26.171 1.411972 35.49783 
1 1 1    7   23   52 o   94.596   30.874   38.965   15.690   0.0000   0.0000   38.965   15.690  ?   ?    94.596   30.874      ?      ? 
1 1 1    7   23   53 o   55.341   24.618   8.3147   12.804   0.0000   0.0000   8.3147   12.804  ?   ?    55.341   24.618      ?      ? 
1 1 1    7   23   54 o   64.280   16.064   11.248   6.5150   29.159   11.160   1.9877   8.0244   85.873   25.759   42.687   19.201 43.18592 32.12778 
1 1 1    7   24    0 o  142.334   8.8204   48.864   8.1511   48.864   8.1511   48.864   8.1511  142.334   12.474  142.334   12.474 -0.000000 0.000000 
1 1 1    7   24    1 o   74.957   10.116   13.590   3.3659   15.606   5.3366   12.257   4.3375   79.431   14.924   70.483   13.661 8.948334 20.23208 
1 1 1    7   24    2 o  274.421   20.461  198.673   22.078  183.645   44.097  203.700   25.504  259.912   36.303  288.931   18.888 -29.01898 40.92216 
1 1 1    7   24    3 o  216.245   15.244  106.349   14.769  154.111   25.628   82.602   18.071  249.462   21.982  183.029   21.126 66.43292 30.48775 
1 1 1    7   24    4 o  161.074   13.218   63.796   8.5783   62.006   17.004   64.407   9.9352  157.812   23.055  164.335   12.936 -6.522629 26.43657 
1 1 1    7   24    5 o  213.528   15.250  109.574   15.219   0.0000   0.0000  109.574   15.219  ?   ?   213.528   15.250      ?      ? 
1 1 1    7   24    6 o  344.458   22.976  294.905   36.987   0.0000   0.0000  294.905   36.987  ?   ?   344.458   22.976      ?      ? 
1 1 1    7   24    7 o  167.621   18.445   87.395   10.702   45.857   21.260  101.493   12.386  128.847   34.583  206.396   12.841 -77.54944 36.89005 
1 1 1    7   24    8 o  289.263   19.079  203.884   25.792   0.0000   0.0000  203.884   25.792  ?   ?   289.263   19.079      ?      ? 
1 1 1    7   24    9 o  290.342   22.157  227.425   24.978  201.409   49.973  236.088   28.838  269.899   39.618  310.786   19.855 -40.88715 44.31441 
1 1 1    7   24   10 o   61.960   12.292   9.3378   3.3769   9.4728   6.7587   9.2929   3.8984   62.725   20.248   61.196   13.942 1.528904 24.58369 
1 1 1    7   24   11 o  164.482   17.543   69.648   12.645   91.502   18.052   48.597   17.717  193.362   19.976  135.602   28.843 57.75981 35.08536 
1 1 1    7   24   12 o  312.354   31.887  287.013   43.513  211.680   61.479  362.632   61.595  258.755   52.631  365.953   36.015 -107.1984 63.77329 
1 1 1    7   24   13 o  176.220   17.295   78.117   14.237   75.974   20.214   80.227   20.055  173.585   24.917  178.855   23.993 -5.270020 34.59042 
1 1 1    7   24   14 o  114.381   12.581   29.778   6.3339   42.534   10.947   23.358   7.7660  132.177   17.721   96.584   17.863 35.59361 25.16157 
1 1 1    7   24   15 o   85.592   13.304   18.925   5.0925   15.897   8.5033   20.618   6.3589   78.630   22.178   92.554   14.701 -13.92442 26.60825 
1 1 1    7   24   16 o  234.903   20.239  151.055   20.059  123.463   34.593  165.033   24.621  211.776   34.952  258.030   20.417 -46.25378 40.47832 
1 1 1    7   24   17 o  201.550   15.938  101.666   14.117  103.634   24.497  100.688   17.273  200.535   26.138  202.566   18.246 -2.030106 31.87645 
1 1 1    7   24   18 o   75.472   12.995   13.122   4.4612   20.724   7.6306   9.1737   5.4988   90.321   18.693   60.622   18.058 29.69890 25.99098 
1 1 1    7   24   19 o  131.592   14.975   41.831   9.2093   0.0000   0.0000   41.831   9.2093  ?   ?   131.592   14.975      ?      ? 
1 1 1    7   24   20 o  135.796   11.729   41.305   7.1406   60.019   12.346   31.897   8.7533  157.004   16.825  114.588   16.345 42.41677 23.45769 
1 1 1    7   24   21 o  403.479   41.614  566.632   67.755  520.246  117.315  589.848   82.997  353.300   73.446  453.657   39.146 -100.3575 83.22742 
1 1 1    7   24   22 o  156.662   13.647   53.874   8.7741  103.689   15.270   29.321   10.720  206.846   15.796  106.478   22.260 100.3682 27.29492 
1 1 1    7   24   23 o  241.418   17.718  142.155   19.155  173.228   33.189  126.635   23.456  258.196   27.505  224.641   22.342 33.55550 35.43546 
1 1 1    7   24   24 o   76.761   12.211   15.114   4.0434   13.162   7.4458   15.930   4.8153   71.893   20.907   81.628   12.622 -9.734901 24.42161 
1 1 1    7   24   25 o  245.004   17.351  146.491   19.867   0.0000   0.0000  146.491   19.867  ?   ?   245.004   17.351      ?      ? 
1 1 1    7   24   26 o   81.778   13.700   17.670   5.1682   13.764   7.9789   20.493   6.7835   73.181   21.742   90.375   16.675 -17.19378 27.40027 
1 1 1    7   24   27 o  250.486   18.420  155.796   20.666  135.381   25.257  197.146   35.946  229.496   23.549  271.476   28.332 -41.97993 36.84055 
1 1 1    7   24   28 o  135.960   11.518   45.395   7.2060   36.058   10.032   55.348   10.358  120.881   17.758  151.040   14.673 -30.15944 23.03561 
1 1 1    7   24   29 o   82.839   12.074   17.324   4.6086   11.823   6.4414   23.092   6.5965   67.997   19.347   97.681   14.450 -29.68420 24.14717 
1 1 1    7   24   30 o  180.213   12.782   80.369   10.761   81.985   15.137   78.718   15.301  182.209   17.776  178.216   18.371 3.993271 25.56313 
1 1 1    7   24   31 o  162.236   11.802   64.893   8.8945   56.255   12.397   74.055   12.768  150.628   17.611  173.845   15.715 -23.21710 23.60329 
1 1 1    7   24   32 o  115.127   11.356   32.533   6.0945   29.487   8.3933   35.931   8.8638  109.306   16.430  120.947   15.681 -11.64124 22.71241 
1 1 1    7   24   33 o   68.810   15.676   11.967   6.6769   19.258   8.4081  -0.4790   10.986   85.165   21.206   52.455   23.093 32.71029 31.35275 
1 1 1    7   24   34 o  108.527   15.708   33.700   7.5085   22.093   12.311   40.574   9.4747   88.835   27.147  128.219   15.811 -39.38335 31.41572 
1 1 1    7   24   35 o   59.725   14.922   8.3864   5.0995   9.7564   8.1576   7.5077   6.5335   63.084   22.241   56.366   19.901 6.718571 29.84473 
1 1 1    7   24   36 o  147.264   26.395   60.350   17.499   60.350   17.499   0.0000   0.0000  147.264   26.395  ?   ?       ?      ? 
1 1 1    7   24   37 o  131.298   18.064   48.224   10.767   65.277   15.478   32.236   14.987  158.409   20.907  104.188   29.463 54.22160 36.12736 
1 1 1    7   24   38 o   65.286   14.432   5.8389   5.8601   23.275   9.7304  -4.0840   7.3406   91.962   22.762   38.609   17.749 53.35344 28.86411 
1 1 1    7   24   39 o   76.755   26.975   16.417   11.992   16.417   11.992   0.0000   0.0000   76.755   26.975  ?   ?       ?      ? 
1 1 1    7   24   40 o   78.622   25.633   17.929   10.816   17.929   10.816   0.0000   0.0000   78.622   25.633  ?   ?       ?      ? 
1 1 1    7   24   41 o   43.359   18.500   1.3441   6.6175   1.3441   6.6175   0.0000   0.0000   43.359   18.500  ?   ?       ?      ? 
1 1 1    7   24   42 o   60.945   23.310   8.8900   9.2657   8.8900   9.2657   0.0000   0.0000   60.945   23.310  ?   ?       ?      ? 
1 1 1    7   24   43 o   41.838   18.991  -2.3652   8.0624  -2.3652   8.0624   0.0000   0.0000   41.838   18.991  ?   ?       ?      ? 
1 1 1    7   24   44 o  136.992   20.058   60.046   12.420   63.240   17.697   56.945   17.436  141.550   27.743  132.433   28.977 9.117172 40.11679 
1 1 1    7   24   45 o   63.994   16.750   11.194   6.7331   7.3472   9.0296   16.012   10.105   56.063   22.531   71.924   24.791 -15.86050 33.49964 
1 1 1    7   24   46 o  153.235   17.553   62.446   12.571   62.446   12.571   0.0000   0.0000  153.235   17.553  ?   ?       ?      ? 
1 1 1    7   24   47 o   62.573   16.249   10.494   5.7309   16.262   10.826   8.2477   6.7551   70.271   25.519   54.875   20.123 15.39641 32.49864 
1 1 1    7   24   48 o   49.682   14.912   3.6560   5.3855   9.9602   10.467   1.3862   6.2806   58.731   24.017   40.633   17.684 18.09766 29.82497 
1 1 1    7   24   49 o   56.862   20.133   9.7316   6.6916   9.7316   6.6916   0.0000   0.0000   56.862   20.133  ?   ?       ?      ? 
1 1 1    7   24   50 o   45.023   14.437   0.2407   6.5264   5.1241   10.026  -3.3494   8.5970   50.606   22.176   39.440   18.492 11.16638 28.87412 
1 1 1    7   24   51 o   85.986   14.865   21.921   8.0677   48.357   12.068   0.5623   10.848  125.460   20.583   46.511   21.452 78.94949 29.72938 
1 1 1    7   24   52 o   67.609   15.501   17.763   6.3654   8.4858   11.897   21.484   7.5347   53.485   23.764   81.734   19.909 -28.24923 31.00179 
1 1 1    7   25    0 o   44.602   12.769   6.5638   3.6822   6.5638   3.6822   6.5638   3.6822   44.602   18.058   44.602   18.058 -0.000000 0.000000 
1 1 1    7   25    1 o  196.428   12.512   93.953   11.472   99.474   16.263   88.485   16.185  202.394   17.193  190.463   18.183 11.93100 25.02404 
1 1 1    7   25    2 o  193.816   13.991   90.700   10.992   95.755   22.031   89.024   12.684  194.978   24.177  192.654   14.087 2.323151 27.98192 
1 1 1    7   25    3 o  136.835   10.567   45.219   6.7214   40.093   9.5234   50.306   9.4878  128.842   15.816  144.829   14.017 -15.98671 21.13364 
1 1 1    7   25    4 o  219.458   13.846  118.602   14.157  108.621   20.050  128.527   19.994  209.738   20.454  229.177   18.667 -19.43988 27.69197 
1 1 1    7   25    5 o  131.656   10.316   41.734   6.3236   46.202   9.0062   37.390   8.8808  138.790   13.885  124.521   15.260 14.26895 20.63175 
1 1 1    7   25    6 o  139.433   17.167   59.780   9.4679   27.621   16.359   75.979   11.610  100.950   31.367  177.915   13.963 -76.96506 34.33430 
1 1 1    7   25    7 o  138.576   14.873   53.051   7.5467   39.507   15.103   57.558   8.7125  121.788   27.219  155.363   11.999 -33.57499 29.74639 
1 1 1    7   25    8 o  237.659   14.206  125.077   14.172  175.523   28.502  108.509   16.335  263.999   23.101  211.319   16.540 52.67946 28.41169 
1 1 1    7   25    9 o   61.506   13.180   9.4402   3.9951   8.6127   6.9634   9.8462   4.8778   60.476   20.587   62.536   16.464 -2.059685 26.36048 
1 1 1    7   25   10 o  133.855   14.779   48.665   8.0551   35.716   13.757   55.419   9.9364  115.938   26.028  151.772   14.009 -35.83443 29.55845 
1 1 1    7   25   11 o   52.152   13.558   5.1676   4.4672   8.2128   6.4426   2.3478   6.1995   58.861   19.803   45.444   18.522 13.41722 27.11501 
1 1 1    7   25   12 o  136.063   12.551   45.093   6.9522   45.806   13.720   44.847   8.0643  135.238   21.707  136.889   12.605 -1.650681 25.10163 
1 1 1    7   25   13 o  129.338   15.045   50.504   7.0343   28.008   13.695   58.567   8.1986  101.833   27.934  156.843   11.185 -55.01002 30.09040 
1 1 1    7   25   14 o   25.338   8.5378  -4.4780   2.6354  -4.9453   4.4765  -4.2302   3.2602   27.755   13.115   22.921   10.934 4.833715 17.07567 
1 1 1    7   25   15 o   83.777   11.899   17.076   4.1066   18.134   7.9147   16.687   4.8039   83.979   20.374   83.575   12.299 0.4043274 23.79855 
1 1 1    7   25   16 o   82.375   12.356   18.007   4.2895   14.009   7.9277   19.663   5.1007   73.985   21.589   90.765   12.025 -16.78003 24.71200 
1 1 1    7   25   17 o   51.329   12.483   6.0284   3.7025   3.2973   6.0443   7.6687   4.6842   46.936   18.575   55.721   16.683 -8.785690 24.96688 
1 1 1    7   25   18 o  164.808   13.938   65.823   10.227   71.533   17.597   62.910   12.568  168.842   22.301  160.774   16.726 8.067780 27.87613 
1 1 1    7   25   19 o   51.565   12.372   5.4318   3.5982   9.0910   5.7226   3.0393   4.6273   60.567   18.508   42.564   16.424 18.00264 24.74453 
1 1 1    7   25   20 f   95.774   10.334   19.146   4.2335   30.258   8.3086   15.250   4.9201  111.763   15.907   79.785   13.195 31.97753 20.66730 
1 1 1    7   25   21 o  168.594   10.557   68.599   8.1482   68.728   12.872   68.512   10.525  168.176   16.378  169.012   13.325 -0.8359985 21.11377 
1 1 1    7   25   22 o  107.690   9.3497   27.928   4.6295   27.501   7.1856   28.231   6.0532  106.706   14.409  108.673   11.918 -1.967010 18.69930 
1 1 1    7   25   23 o  170.531   10.373   68.036   8.0907   91.454   12.771   52.336   10.457  194.427   14.055  146.635   15.259 47.79256 20.74518 
1 1 1    7   25   24 o  192.871   11.684   93.224   10.164   81.830   15.997  100.938   13.163  181.385   18.871  204.357   13.782 -22.97252 23.36798 
1 1 1    7   25   25 o  144.764   10.270   51.112   6.7936   48.822   10.645   52.686   8.8243  141.427   16.105  148.101   12.749 -6.674393 20.54054 
1 1 1    7   25   26 f  187.552   11.475   86.999   9.7791   80.758   15.407   91.210   12.655  180.773   18.237  194.330   13.934 -13.55673 22.95067 
1 1 1    7   25   27 o  278.384   15.359  195.612   19.632  204.930   31.002  189.373   25.366  281.924   23.529  274.845   19.748 7.079498 30.71851 
1 1 1    7   25   28 o   97.168   12.271   24.439   5.3037   29.568   7.2282   18.457   7.8063  110.339   14.017   83.997   20.145 26.34188 24.54181 
1 1 1    7   25   29 o  135.202   11.682   45.581   7.1600   32.965   9.9691   59.022   10.290  114.698   18.598  155.705   14.141 -41.00768 23.36312 
1 1 1    7   25   30 o   74.390   15.009   14.492   6.0870   22.304   8.3226   5.5080   8.9256   92.338   19.874   56.441   22.498 35.89689 30.01898 
1 1 1    7   25   31 o  101.843   14.726   29.622   6.6383   18.069   10.787   36.664   8.4218   81.367   25.502  122.319   14.732 -40.95189 29.45174 
1 1 1    7   25   32 o  163.906   15.387   70.025   11.117   68.431   18.882   70.870   13.754  159.580   25.318  168.232   17.493 -8.652527 30.77332 
1 1 1    7   25   33 o   75.010   15.671   13.898   6.2979   6.5487   8.3730   23.473   9.5574   56.921   22.057   93.098   22.266 -36.17693 31.34130 
1 1 1    7   25   34 o  113.151   14.729   34.103   7.0338   34.935   8.5416   32.352   12.397  118.720   15.395  107.582   25.114 11.13880 29.45721 
1 1 1    7   25   35 o  169.432   20.106   82.196   15.325   68.007   21.601   96.572   21.744  150.236   31.759  188.629   24.665 -38.39287 40.21185 
1 1 1    7   25   36 o   59.351   16.064   6.8713   6.4379   12.196   9.4536   2.2660   8.7915   68.292   23.953   50.409   21.412 17.88353 32.12817 
1 1 1    7   25   37 o   93.592   27.312   26.025   12.687   26.025   12.687   0.0000   0.0000   93.592   27.312  ?   ?       ?      ? 
1 1 1    7   25   38 o   98.968   18.656   26.133   8.3124   26.133   8.3124   0.0000   0.0000   98.968   18.656  ?   ?       ?      ? 
1 1 1    7   25   39 o  217.620   39.997  168.900   39.180  168.900   39.180   0.0000   0.0000  217.620   39.997  ?   ?       ?      ? 
1 1 1    7   25   40 o  155.487   25.861   69.421   18.792   0.0000   0.0000   69.421   18.792  ?   ?   155.487   25.861      ?      ? 
1 1 1    7   25   41 o  121.141   26.182   44.178   14.391   44.178   14.391   0.0000   0.0000  121.141   26.182  ?   ?       ?      ? 
1 1 1    7   25   42 o   99.510   18.733   27.343   8.3924   0.0000   0.0000   27.343   8.3924  ?   ?    99.510   18.733      ?      ? 
1 1 1    7   25   43 o   96.862   16.812   27.309   7.0694   31.645   13.041   25.505   8.4127   98.392   27.365   95.333   19.539 3.059303 33.62464 
1 1 1    7   25   44 o   59.067   13.097   8.3070   4.9186   16.994   6.8270  -1.0688   7.0924   77.852   18.944   40.283   18.091 37.56931 26.19452 
1 1 1    7   25   45 o  123.116   16.982   47.602   8.8967   44.813   15.453   48.985   10.881  112.293   29.180  133.939   17.382 -21.64645 33.96489 
1 1 1    7   25   46 o   63.572   23.833   13.029   9.5715   13.029   9.5715   0.0000   0.0000   63.572   23.833  ?   ?       ?      ? 
1 1 1    7   25   47 o   36.903   12.157  -3.4268   4.9038  -5.4575   6.1885   0.0000   8.0390   31.710   15.110   42.096   19.050 -10.38676 24.31486 
1 1 1    7   25   48 o   52.397   14.585   7.7916   5.4032   9.9217   6.5864   3.4077   9.4489   56.865   19.991   47.929   21.243 8.936726 29.16982 
1 1 1    7   25   49 o   38.133   12.823  -6.9550   6.1280   1.0297   9.5162 -12.6118   8.0098   45.165   20.551   31.102   15.341 14.06220 25.64556 
1 1 1    7   25   50 o   72.606   27.037   22.981   12.277   22.981   12.277   0.0000   0.0000   72.606   27.037  ?   ?       ?      ? 
1 1 1    7   26    0 o  278.586   16.963  192.855   30.700  192.855   30.700  192.855   30.700  278.586   23.989  278.586   23.989 -0.000000 0.000000 
1 1 1    7   26    1 o  253.189   15.122  167.128   16.867  130.194   26.651  191.804   21.784  225.572   25.281  280.806   16.599 -55.23447 30.24318 
1 1 1    7   26    2 o  147.449   9.5687   50.613   6.4895   62.004   10.344   43.221   8.3333  160.645   13.778  134.254   13.281 26.39091 19.13740 
1 1 1    7   26    3 o  172.700   11.838   72.602   9.5520   70.642   13.508   74.562   13.509  170.272   16.975  175.128   16.506 -4.856293 23.67653 
1 1 1    7   26    4 o   89.219   11.206   22.736   4.1922   10.173   6.6423   31.053   5.4046   64.022   20.003  114.415   10.107 -50.39247 22.41148 
1 1 1    7   26    5 o  213.425   12.413  112.009   12.070  107.711   19.092  114.870   15.577  208.870   19.559  217.980   15.291 -9.109909 24.82639 
1 1 1    7   26    6 o  171.341   10.785   71.623   8.4176   67.674   13.260   74.289   10.894  166.646   17.026  176.036   13.242 -9.390396 21.56918 
1 1 1    7   26    7 f  161.415   17.196   75.970   9.8794   50.547   19.773   84.427   11.405  135.080   31.842  187.750   12.998 -52.67015 34.39255 
1 1 1    7   26    8 o  255.144   21.124  162.171   25.188   0.0000   0.0000  162.171   25.188  ?   ?   255.144   21.124      ?      ? 
1 1 1    7   26    9 o  294.364   19.886  214.373   27.357   0.0000   0.0000  214.373   27.357  ?   ?   294.364   19.886      ?      ? 
1 1 1    7   26   10 o   73.120   13.836   13.239   4.5551   0.0000   0.0000   13.239   4.5551  ?   ?    73.120   13.836      ?      ? 
1 1 1    7   26   11 o   70.258   12.235   11.501   3.7073   15.343   6.9487   9.9719   4.3833   77.461   19.273   63.056   15.078 14.40482 24.46996 
1 1 1    7   26   12 o  123.459   12.643   36.751   7.0000   39.282   11.820   35.384   8.6872  125.956   20.080  120.962   15.367 4.994850 25.28539 
1 1 1    7   26   13 f  211.212   23.135  146.450   16.650   76.806   33.151  169.945   19.255  157.391   43.580  265.033   15.545 -107.6416 46.26962 
1 1 1    7   26   14 o   83.178   11.696   15.279   4.0401   23.083   7.8173   12.435   4.7192   95.749   18.133   70.608   14.776 25.14120 23.39116 
1 1 1    7   26   15 o   99.519   13.447   24.768   5.8150   24.780   9.9179   24.762   7.1783   97.786   22.208  101.251   15.170 -3.465202 26.89473 
1 1 1    7   26   16 o  128.668   11.531   37.602   6.6363   49.907   11.638   31.673   8.0784  142.880   17.429  114.456   15.102 28.42400 23.06163 
1 1 1    7   26   17 o  102.806   12.959   24.517   5.9045   35.874   9.9792   18.400   7.3242  120.848   17.669   84.764   18.963 36.08353 25.91890 
1 1 1    7   26   18 o   40.619   11.046   2.3297   3.2973  -5.9752   6.4127   5.3146   3.8445   34.028   15.960   47.211   15.274 -13.18297 22.09113 
1 1 1    7   26   19 o  164.106   13.196   60.579   9.6226   95.262   16.757   43.515   11.754  196.032   18.291  132.180   19.027 63.85208 26.39258 
1 1 1    7   26   20 o   85.372   12.345   17.410   4.2442   20.116   8.6220   16.545   4.8758   87.746   21.251   82.998   12.570 4.748459 24.69011 
1 1 1    7   26   21 o  156.564   14.867   64.432   8.7662   57.449   17.648   66.719   10.100  146.533   26.756  166.594   12.973 -20.06114 29.73488 
1 1 1    7   26   22 o   72.211   10.901   13.102   3.5157   13.201   5.5265   13.035   4.5566   72.081   16.728   72.342   13.983 -0.2601166 21.80282 
1 1 1    7   26   23 o  133.980   15.208   48.448   8.3538   52.769   10.194   39.612   14.577  147.290   14.809  120.672   26.567 26.61803 30.41577 
1 1 1    7   26   24 o  117.937   10.762   33.931   5.9238   31.641   8.2016   36.428   8.5654  113.711   15.433  122.162   15.003 -8.450966 21.52345 
1 1 1    7   26   25 o  146.868   11.507   53.457   7.7481   41.483   10.805   66.133   11.117  129.022   17.919  164.714   14.442 -35.69188 23.01381 
1 1 1    7   26   26 o  160.015   17.038   71.942   11.071   55.433   18.973   80.465   13.632  139.437   30.005  180.593   16.152 -41.15569 34.07590 
1 1 1    7   26   27 o  104.591   16.076   29.432   7.8473   20.979   11.188   37.619   11.010   87.212   25.704  121.969   19.314 -34.75753 32.15167 
1 1 1    7   26   28 o   37.576   11.472   0.4020   3.4525  -3.2475   6.8358   1.6518   4.0002   38.287   17.420   36.865   14.932 1.422066 22.94446 
1 1 1    7   26   29 o   87.521   16.615   20.888   6.9062   20.426   9.2410   21.474   10.394   86.805   22.569   88.237   24.391 -1.432335 33.23029 
1 1 1    7   26   30 o  126.328   17.432   43.717   9.9159   41.593   13.707   46.049   14.362  122.997   24.704  129.658   24.602 -6.660629 34.86407 
1 1 1    7   26   31 o  156.767   14.647   61.628   10.176   57.197   12.394   70.795   17.827  150.567   17.613  162.968   23.407 -12.40100 29.29314 
1 1 1    7   26   32 f   63.691   15.431   8.8181   6.1252   17.096   8.8824   1.3125   8.4580   78.938   22.800   48.444   20.799 30.49327 30.86161 
1 1 1    7   26   33 o   85.413   16.498   19.698   7.4772   31.715   10.799   8.6301   10.363  108.063   22.127   62.763   24.478 45.29954 32.99645 
1 1 1    7   26   34 o   53.761   14.896   2.8660   6.5180 -10.8354   10.333   11.922   8.4003   40.606   19.397   66.915   22.612 -26.30909 29.79203 
1 1 1    7   26   35 f  135.100   27.519   54.187   16.785   54.187   16.785   0.0000   0.0000  135.100   27.519  ?   ?       ?      ? 
1 1 1    7   26   36 o  110.915   17.179   31.617   8.9051   31.617   8.9051   0.0000   0.0000  110.915   17.179  ?   ?       ?      ? 
1 1 1    7   26   37 o   66.688   14.867   10.735   6.3136   21.076   8.5929  -1.3967   9.3073   87.099   21.289   46.277   20.758 40.82113 29.73432 
1 1 1    7   26   38 o   95.814   15.535   24.771   6.7153   32.925   10.866   19.732   8.5419  108.136   22.243   83.492   21.694 24.64330 31.07050 
1 1 1    7   26   39 o  182.130   22.155  113.250   17.867   50.867   24.605  182.827   25.985  108.767   38.597  255.493   21.762 -146.7268 44.30906 
1 1 1    7   26   40 o   78.571   14.554   17.982   5.4396   15.880   7.8241   19.948   7.5677   73.377   21.458   83.765   19.667 -10.38842 29.10752 
1 1 1    7   26   41 o  121.415   12.510   39.288   7.0701   43.100   10.038   35.535   9.9600  128.016   16.778  114.815   18.562 13.20073 25.02038 
1 1 1    7   26   42 o   79.895   12.964   18.504   5.2726   7.8798   7.6520   28.109   7.2754   55.534   21.197  104.255   14.932 -48.72122 25.92824 
1 1 1    7   26   43 o   70.289   12.233   13.800   4.9891   2.1726   7.1455   24.860   6.9691   43.921   18.988   96.658   15.428 -52.73696 24.46545 
1 1 1    7   26   44 o   79.640   14.627   19.474   5.4928   18.965   8.0058   19.927   7.5503   77.938   21.349   81.342   20.001 -3.404259 29.25471 
1 1 1    7   26   45 o  149.571   20.284   82.466   12.807   74.859   21.948   86.394   15.771  128.303   35.434  170.839   19.753 -42.53551 40.56742 
1 1 1    7   26   46 o   48.365   18.979   6.1165   6.2600   6.1165   6.2600   0.0000   0.0000   48.365   18.979  ?   ?       ?      ? 
1 1 1    7   26   47 o   65.805   16.905   14.893   7.5349   23.484   10.359   5.2422   10.980   80.330   24.961   51.280   22.805 29.05030 33.80986 
1 1 1    7   26   48 o   85.815   20.047   32.157   9.3614   35.961   13.680   28.807   12.838   90.731   28.757   80.899   27.939 9.832573 40.09412 
1 1 1    7   27    0 o  229.846   14.590  130.075   21.754  130.075   21.754  130.075   21.754  229.846   20.634  229.846   20.634 -0.000000 0.000000 
1 1 1    7   27    1 o  322.147   19.912  274.191   28.895  198.102   40.813  350.658   40.914  271.526   32.162  372.768   23.485 -101.2428 39.82401 
1 1 1    7   27    2 o  169.639   12.407   65.165   8.7324   81.805   17.582   59.717   10.061  181.535   20.724  157.744   13.647 23.79079 24.81375 
1 1 1    7   27    3 o  322.877   18.150  275.772   26.026  226.702   41.111  308.589   33.620  292.859   30.037  352.895   20.385 -60.03665 36.30100 
1 1 1    7   27    4 o  129.889   9.3306   39.193   5.5770   49.006   8.8261   32.670   7.1954  143.008   13.206  116.769   13.185 26.23946 18.66121 
1 1 1    7   27    5 f   61.800   11.896   9.6052   3.5296   9.2290   5.0101   9.9759   4.9733   60.660   16.994   62.939   16.650 -2.278572 23.79119 
1 1 1    7   27    6 o  164.626   10.742   66.841   7.9906   59.387   12.598   71.858   10.336  155.984   17.282  173.269   12.764 -17.28468 21.48422 
1 1 1    7   27    7 o   90.645   12.143   20.620   4.4715   19.922   8.5552   20.883   5.2449   87.776   21.113   93.515   12.001 -5.738754 24.28532 
1 1 1    7   27    8 o  280.879   19.135  194.941   25.118   0.0000   0.0000  194.941   25.118  ?   ?   280.879   19.135      ?      ? 
1 1 1    7   27    9 o   89.966   13.284   22.722   4.7649   15.501   9.5586   25.110   5.4966   77.369   23.966  102.563   11.467 -25.19411 26.56858 
1 1 1    7   27   10 o  124.283   11.098   34.241   5.7676   45.604   11.592   30.503   6.6489  135.851   18.259  112.715   12.622 23.13668 22.19662 
1 1 1    7   27   11 o  204.878   21.628  126.734   17.169   82.810   29.703  148.772   21.039  164.709   39.161  245.047   18.371 -80.33841 43.25586 
1 1 1    7   27   12 o  143.403   14.306   56.068   7.6793   44.272   15.026   60.238   8.9341  128.331   25.946  158.475   12.063 -30.14331 28.61296 
1 1 1    7   27   13 o   80.818   12.923   15.723   4.8812   0.0000   0.0000   15.723   4.8812  ?   ?    80.818   12.923      ?      ? 
1 1 1    7   27   14 o  214.682   16.255  117.689   13.981  117.070   27.853  117.898   16.165  209.462   28.453  219.903   15.729 -10.44106 32.51072 
1 1 1    7   27   15 o  102.153   12.828   24.691   5.7003   30.977   10.041   21.701   6.9244  109.907   20.295   94.398   15.695 15.50912 25.65645 
1 1 1    7   27   16 o  122.090   13.499   37.537   7.0709   37.113   12.085   37.758   8.7190  119.435   22.476  124.745   14.956 -5.309715 26.99723 
1 1 1    7   27   17 o  150.689   13.538   54.685   9.0988   62.698   15.763   50.680   11.143  157.555   21.407  143.823   16.577 13.73137 27.07537 
1 1 1    7   27   18 o  178.931   14.988   77.854   11.992   92.694   20.780   70.444   14.684  189.644   23.445  168.218   18.678 21.42604 29.97552 
1 1 1    7   27   19 f   77.737   21.246   15.893   7.9388   15.893   7.9388   0.0000   0.0000   77.737   21.246  ?   ?       ?      ? 
1 1 1    7   27   20 o   55.133   13.256   7.2725   4.3038   2.6520   7.1142   9.9397   5.4051   47.929   19.723   62.337   17.717 -14.40827 26.51205 
1 1 1    7   27   21 o  226.010   20.741  130.150   21.908   0.0000   0.0000  130.150   21.908  ?   ?   226.010   20.741      ?      ? 
1 1 1    7   27   22 o   30.232   13.754  -2.3077   4.2599   0.0000   0.0000  -2.3077   4.2599  ?   ?    30.232   13.754      ?      ? 
1 1 1    7   27   23 o   77.664   13.592   16.925   5.0449   9.7340   8.8175   20.424   6.1511   63.911   23.058   91.418   14.397 -27.50758 27.18381 
1 1 1    7   27   24 o  135.024   11.746   41.501   6.7100   54.679   13.179   36.889   7.7960  146.945   19.191  123.103   13.551 23.84158 23.49274 
1 1 1    7   27   25 o  192.628   14.568   90.144   12.633  116.066   21.725   76.901   15.528  211.153   22.015  174.104   19.083 37.04900 29.13513 
1 1 1    7   27   26 o   49.743   14.441   2.4773   5.4530  -0.6553   7.2745   6.4950   8.2385   42.865   18.833   56.621   21.896 -13.75547 28.88131 
1 1 1    7   27   27 o  167.699   12.002   70.709   9.2944   58.231   12.992   83.790   13.302  151.534   18.345  183.864   15.480 -32.33025 24.00391 
1 1 1    7   27   28 o   65.708   13.316   11.306   4.2802   10.973   5.7280   11.728   6.4406   64.739   18.183   66.677   19.460 -1.938400 26.63265 
1 1 1    7   27   29 o  192.438   13.321   94.807   11.975   92.097   16.963   97.500   16.909  189.405   19.163  195.471   18.509 -6.066681 26.64235 
1 1 1    7   27   30 o  122.053   15.416   38.230   7.9243   44.346   14.551   35.651   9.4481  125.287   25.713  118.819   17.014 6.467934 30.83287 
1 1 1    7   27   31 o  192.625   17.938  102.320   14.945  106.025   26.456  100.584   18.111  188.987   29.954  196.262   19.746 -7.274704 35.87643 
1 1 1    7   27   32 f   78.660   25.320   18.012   10.575   18.012   10.575   0.0000   0.0000   78.660   25.320  ?   ?       ?      ? 
1 1 1    7   27   33 o  129.077   16.830   42.662   10.152   42.662   10.152   0.0000   0.0000  129.077   16.830  ?   ?       ?      ? 
1 1 1    7   27   34 f   85.581   23.399   20.958   9.6274   20.958   9.6274   0.0000   0.0000   85.581   23.399  ?   ?       ?      ? 
1 1 1    7   27   35 o   76.611   22.999   16.846   8.8936   16.846   8.8936   0.0000   0.0000   76.611   22.999  ?   ?       ?      ? 
1 1 1    7   27   36 o   50.338   19.220   5.7120   6.2928   0.0000   0.0000   5.7120   6.2928  ?   ?    50.338   19.220      ?      ? 
1 1 1    7   27   37 o  122.052   15.169   42.674   8.0897   41.378   13.193   43.455   10.241  116.154   25.041  127.951   17.126 -11.79661 30.33706 
1 1 1    7   27   38 o   54.326   13.970   7.5226   4.6574   9.5914   6.5982   5.4683   6.5751   58.924   20.040   49.727   19.469 9.196854 27.93947 
1 1 1    7   27   39 o   97.027   16.916   28.343   7.1087   28.198   8.3600   28.721   13.508  101.542   18.289   92.513   28.463 9.028870 33.83247 
1 1 1    7   27   40 o   31.953   10.849  -7.4314   4.7247  -2.6768   5.4619 -21.5640   9.4168   33.048   15.235   30.859   15.448 2.188868 21.69718 
1 1 1    7   27   41 o   53.362   14.692   7.2632   5.1817   5.4748   6.6504   10.027   8.2667   48.453   19.384   58.271   22.082 -9.818066 29.38304 
1 1 1    7   27   42 o   75.476   12.952   17.565   5.1435   7.7732   7.6511   25.640   6.9478   53.294   20.960   97.657   15.223 -44.36273 25.90476 
1 1 1    7   27   43 o   96.508   16.542   31.700   7.3007   33.129   8.8356   28.626   12.962  108.027   17.501   84.989   28.077 23.03792 33.08446 
1 1 1    7   27   44 o   55.487   15.667   8.4167   5.7538   6.3780   6.9314   12.935   10.319   49.453   19.788   61.521   24.295 -12.06786 31.33352 
1 1 1    7   27   45 o   82.438   19.250   27.354   9.0845   18.984   12.680   36.180   13.021   68.227   26.935   96.649   27.510 -28.42170 38.50049 
1 1 1    7   27   46 o   51.912   15.980   7.6017   7.2668   5.2966   9.9847   10.198   10.596   48.820   21.727   55.003   23.438 -6.182793 31.95961 
1 1 1    7   28    0 o  101.461   11.685   26.369   7.2121   26.369   7.2121   26.369   7.2121  101.461   16.526  101.461   16.526 -0.000000 0.000000 
1 1 1    7   28    1 o  239.049   14.943  147.540   15.764   95.273   22.229  200.423   22.360  192.038   24.768  286.060   16.725 -94.02293 29.88638 
1 1 1    7   28    2 o  244.707   15.322  151.326   17.495  160.540   24.743  142.115   24.740  252.760   20.946  236.653   22.369 16.10751 30.64472 
1 1 1    7   28    3 o  321.366   16.864  258.844   24.976  302.519   39.554  229.885   32.209  342.330   24.723  300.401   22.942 41.92856 33.72778 
1 1 1    7   28    4 o  161.675   11.585   63.883   8.7536   64.351   12.400   63.417   12.359  162.281   16.350  161.070   16.418 1.210571 23.17049 
1 1 1    7   28    5 o   78.816   11.324   15.964   4.2589   26.500   6.1071   5.9881   5.9423  105.113   12.432   52.518   18.932 52.59497 22.64879 
1 1 1    7   28    6 o   51.072   10.064   6.8401   3.4110  -9.7010   7.0795   11.841   3.8927   32.858   15.792   69.286   12.481 -36.42842 20.12804 
1 1 1    7   28    7 o   34.289   10.518  -0.3228   2.8830   0.4612   5.2486  -0.6616   3.4500   38.881   16.530   29.698   13.011 9.183449 21.03635 
1 1 1    7   28    8 o   67.607   11.303   14.412   4.0883  -2.3015   8.2950   19.775   4.6987   44.189   19.725   91.026   11.045 -46.83715 22.60642 
1 1 1    7   28    9 o  104.323   14.682   33.959   6.7435   11.969   11.604   45.173   8.2865   71.638   26.358  137.007   12.942 -65.36868 29.36396 
1 1 1    7   28   10 o  145.359   23.645   54.467   16.063   0.0000   0.0000   54.467   16.063  ?   ?   145.359   23.645      ?      ? 
1 1 1    7   28   11 o   55.743   20.290   6.8248   6.8495   0.0000   0.0000   6.8248   6.8495  ?   ?    55.743   20.290      ?      ? 
1 1 1    7   28   12 o   93.996   14.142   24.361   5.8906   16.972   9.8535   28.470   7.3482   79.831   24.263  108.160   14.537 -28.32964 28.28420 
1 1 1    7   28   13 o  114.828   15.053   37.121   7.1568   26.190   12.427   42.546   8.7544   97.370   26.569  132.287   14.160 -34.91747 30.10658 
1 1 1    7   28   14 o  109.276   15.162   29.225   7.7431   0.0000   0.0000   29.225   7.7431  ?   ?   109.276   15.162      ?      ? 
1 1 1    7   28   15 o   82.363   22.327   18.115   8.8094   0.0000   0.0000   18.115   8.8094  ?   ?    82.363   22.327      ?      ? 
1 1 1    7   28   16 o  100.072   23.094   26.911   10.581   0.0000   0.0000   26.911   10.581  ?   ?   100.072   23.094      ?      ? 
1 1 1    7   28   17 f  215.360   20.070  117.906   20.200   0.0000   0.0000  117.906   20.200  ?   ?   215.360   20.070      ?      ? 
1 1 1    7   28   18 o  161.072   13.688   63.153   10.304   0.0000   0.0000   63.153   10.304  ?   ?   161.072   13.688      ?      ? 
1 1 1    7   28   19 o  216.444   14.292  114.553   14.457   0.0000   0.0000  114.553   14.457  ?   ?   216.444   14.292      ?      ? 
1 1 1    7   28   20 o   75.085   16.852   14.531   5.7684   0.0000   0.0000   14.531   5.7684  ?   ?    75.085   16.852      ?      ? 
1 1 1    7   28   21 o   94.588   17.402   22.988   7.4091   0.0000   0.0000   22.988   7.4091  ?   ?    94.588   17.402      ?      ? 
1 1 1    7   28   22 o  150.832   14.488   57.726   9.7839   62.241   16.553   55.302   12.130  153.363   23.094  148.301   17.501 5.062546 28.97608 
1 1 1    7   28   23 o  216.266   15.521  111.890   14.977  168.523   26.153   84.256   18.269  253.217   22.100  179.314   21.800 73.90327 31.04259 
1 1 1    7   28   24 o  179.024   12.411   81.221   10.316   90.810   14.550   71.529   14.627  190.585   16.335  167.464   18.690 23.12044 24.82209 
1 1 1    7   28   25 o  137.731   15.023   49.378   8.8117   48.031   10.723   52.182   15.463  138.352   16.584  137.110   25.055 1.241577 30.04671 
1 1 1    7   28   26 o   47.503   11.608   3.3720   3.4376   10.032   5.5576  -0.7554   4.3750   61.933   18.077   33.073   14.566 28.86043 23.21553 
1 1 1    7   28   27 f  104.261   12.816   26.625   6.2448   0.0000   0.0000   26.625   6.2448  ?   ?   104.261   12.816      ?      ? 
1 1 1    7   28   28 o  129.389   15.761   47.965   7.4762   41.197   15.570   49.992   8.5229  116.230   28.808  142.548   12.793 -26.31839 31.52135 
1 1 1    7   28   29 o   86.284   15.160   21.359   5.9194   17.595   10.991   22.897   7.0254   77.537   25.866   95.031   15.818 -17.49468 30.31917 
1 1 1    7   28   30 o   72.265   17.278   14.405   6.8747   17.238   10.628   12.367   9.0144   77.116   25.422   67.413   23.405 9.703209 34.55509 
1 1 1    7   28   31 o   61.324   19.871   10.008   6.5046   10.008   6.5046   0.0000   0.0000   61.324   19.871  ?   ?       ?      ? 
1 1 1    7   28   32 o  119.406   17.746   41.861   9.5812   44.020   13.277   39.514   13.840  124.000   23.775  114.812   26.352 9.188866 35.49230 
1 1 1    7   28   33 o   47.035   13.313   4.0675   4.4158   5.1115   6.6541   3.2459   5.9030   49.585   19.532   44.485   18.096 5.100021 26.62636 
1 1 1    7   28   34 o   70.428   14.824   14.556   5.3614   11.322   7.8245   17.418   7.3611   62.934   21.808   77.923   20.086 -14.98962 29.64830 
1 1 1    7   28   35 o   68.083   15.188   13.154   5.1410   12.554   6.1772   14.505   9.2730   66.752   18.929   69.414   23.756 -2.661797 30.37549 
1 1 1    7   28   36 o   50.134   14.437   0.6923   4.6536  -2.7275   5.2378   13.510   10.140   32.593   14.987   67.675   24.679 -35.08203 28.87332 
1 1 1    7   28   37 o  121.676   15.193   43.659   7.9858   40.060   13.104   45.785   10.073  112.200   25.560  131.153   16.433 -18.95320 30.38684 
1 1 1    7   28   38 o   95.283   16.131   24.598   6.7400   42.819   12.551   17.214   7.9899  116.252   23.899   74.314   21.670 41.93814 32.26123 
1 1 1    7   28   39 o   84.410   18.217   23.908   8.0563   35.268   12.597   16.046   10.480  100.567   26.449   68.253   25.059 32.31397 36.43473 
1 1 1    7   28   40 o   64.557   15.334   14.200   5.8229   16.771   6.8703   7.6418   10.972   74.197   19.542   54.918   23.636 19.27915 30.66837 
1 1 1    7   28   41 o   50.440   13.777   6.8964   5.1609   10.471   5.9375  -4.1493   10.438   58.666   18.982   42.213   19.972 16.45307 27.55361 
1 1 1    7   28   42 o   60.928   14.429   12.343   6.0519   18.550   7.2147  -2.3950   11.117   77.304   19.863   44.553   20.934 32.75103 28.85781 
1 1 1    7   28   43 o   42.377   13.982  -1.3794   6.8115  -2.6789   9.4920   0.0001   9.7804   40.956   19.275   43.798   20.260 -2.841984 27.96426 
1 1 1    7   28   44 o   51.670   15.798   7.1357   7.3445   12.909   10.083   0.6099   10.720   58.565   23.713   44.775   20.881 13.79049 31.59597 
1 1 1    7   29    1 o  115.971   16.339   36.784   8.7154   54.142   12.356   19.598   12.295  147.319   17.947   84.623   27.308 62.69629 32.67757 
1 1 1    7   29    2 f  170.506   18.966   79.094   14.544   65.796   20.528   92.496   20.608  152.610   29.852  188.401   23.405 -35.79167 37.93289 
1 1 1    7   29    3 o  174.501   16.794   75.388   13.696   0.0000   0.0000   75.388   13.696  ?   ?   174.501   16.794      ?      ? 
1 1 1    7   29    4 o  144.420   15.869   51.338   10.711   0.0000   0.0000   51.338   10.711  ?   ?   144.420   15.869      ?      ? 
1 1 1    7   29    5 o  348.264   32.863  348.674   53.488   0.0000   0.0000  348.674   53.488  ?   ?   348.264   32.863      ?      ? 
1 1 1    7   29    6 o  117.433   14.377   33.655   7.8905   0.0000   0.0000   33.655   7.8905  ?   ?   117.433   14.377      ?      ? 
1 1 1    7   29    7 o  214.378   19.534  116.257   19.571   0.0000   0.0000  116.257   19.571  ?   ?   214.378   19.534      ?      ? 
1 1 1    7   29    8 o   88.664   16.308   19.942   6.5084   0.0000   0.0000   19.942   6.5084  ?   ?    88.664   16.308      ?      ? 
1 1 1    7   29    9 o  134.143   13.361   45.401   7.9539   45.090   13.443   45.568   9.8663  132.198   21.758  136.089   15.513 -3.891724 26.72190 
1 1 1    7   29   10 o  119.304   24.856   38.787   13.409   0.0000   0.0000   38.787   13.409  ?   ?   119.304   24.856      ?      ? 
1 1 1    7   29   11 o  120.088   15.334   35.480   8.6059   0.0000   0.0000   35.480   8.6059  ?   ?   120.088   15.334      ?      ? 
1 1 1    7   29   12 o  175.436   16.304   76.283   13.367   0.0000   0.0000   76.283   13.367  ?   ?   175.436   16.304      ?      ? 
1 1 1    7   29   13 o   67.638   22.910   11.717   8.6230   0.0000   0.0000   11.717   8.6230  ?   ?    67.638   22.910      ?      ? 
1 1 1    7   29   14 o  267.954   42.728  240.344   53.508   0.0000   0.0000  240.344   53.508  ?   ?   267.954   42.728      ?      ? 
1 1 1    7   29   15 o  136.775   25.323   51.422   15.590   0.0000   0.0000   51.422   15.590  ?   ?   136.775   25.323      ?      ? 
1 1 1    7   29   16 o  173.743   20.007   85.426   15.570  101.380   22.017   69.465   22.021  194.662   24.201  152.824   31.864 41.83731 40.01302 
1 1 1    7   29   17 o   97.361   13.960   23.849   5.9710   30.272   9.9644   20.251   7.4584  106.828   20.706   87.894   18.730 18.93389 27.92036 
1 1 1    7   29   18 f  138.727   14.288   50.738   8.5310   47.610   14.193   52.506   10.674  132.113   23.866  145.340   15.715 -13.22670 28.57535 
1 1 1    7   29   19 o   86.831   14.552   18.387   5.4929   26.424   9.9983   14.912   6.5739   98.568   22.234   75.094   18.780 23.47455 29.10382 
1 1 1    7   29   20 o   48.619   13.143   4.5261   4.4135  -2.8261   8.2911   7.4331   5.2135   42.748   19.346   54.490   17.797 -11.74202 26.28682 
1 1 1    7   29   21 o  126.435   13.487   40.737   6.7500   42.903   13.267   39.980   7.8407  125.047   23.566  127.822   13.125 -2.775009 26.97420 
1 1 1    7   29   22 o  118.225   17.492   41.009   9.7144   22.193   14.095   58.034   13.407   86.479   29.290  149.970   19.129 -63.49055 34.98324 
1 1 1    7   29   23 o   77.477   18.357   15.991   6.5451   0.0000   0.0000   15.991   6.5451  ?   ?    77.477   18.357      ?      ? 
1 1 1    7   29   24 o  147.232   18.707   72.195   11.061   39.072   19.191   88.670   13.534  106.896   34.079  187.567   15.440 -80.67059 37.41306 
1 1 1    7   29   25 o   62.104   14.212   6.6514   4.2686   19.128   9.1846   3.2141   4.8209   81.826   23.039   42.382   16.647 39.44417 28.42431 
1 1 1    7   29   26 o   82.035   14.584   15.174   5.4181   30.325   10.168   9.1661   6.4029  104.859   21.471   59.211   19.742 45.64764 29.16724 
1 1 1    7   29   27 o   91.025   17.174   23.416   7.5051   30.557   11.414   17.976   9.9615  103.198   24.102   78.852   24.473 24.34568 34.34846 
1 1 1    7   29   28 o  110.366   14.855   33.759   6.9066   34.630   8.3586   31.885   12.262  116.971   15.290  103.761   25.474 13.20963 29.71037 
1 1 1    7   29   29 o   37.954   16.294   0.6861   5.1901   0.6861   5.1901   0.0000   0.0000   37.954   16.294  ?   ?       ?      ? 
1 1 1    7   29   30 o   71.045   13.881   15.129   5.1803   7.5656   8.2592   20.034   6.6513   55.982   21.847   86.107   17.131 -30.12434 27.76248 
1 1 1    7   29   31 o   39.390   11.031   1.8223   3.5251  -7.3019   6.4785   5.6598   4.2015   31.695   15.199   47.086   15.991 -15.39165 22.06186 
1 1 1    7   29   32 o   43.637   12.142   3.7791   3.6460   0.0005   6.7920   5.3088   4.3214   40.978   18.093   46.296   16.197 -5.318226 24.28429 
1 1 1    7   29   33 o   89.378   13.073   22.208   5.4246   13.679   7.5540   31.289   7.7948   68.614   21.314  110.142   15.143 -41.52789 26.14574 
1 1 1    7   29   34 o   88.050   13.743   22.077   5.5355   17.171   7.5217   27.874   8.1758   76.100   20.631  100.001   18.163 -23.90155 27.48679 
1 1 1    7   29   35 o   76.881   15.874   20.488   6.5405   11.758   11.830   24.331   7.8494   62.076   25.475   91.686   18.945 -29.61015 31.74761 
1 1 1    7   29   36 o  122.998   13.532   43.854   7.3517   32.995   10.291   55.172   10.506  103.140   22.019  142.855   15.736 -39.71484 27.06437 
1 1 1    7   29   37 o   32.735   14.829  -1.1555   4.8858  -1.1555   4.8858   0.0000   0.0000   32.735   14.829  ?   ?       ?      ? 
1 1 1    7   29   38 o   63.840   14.390   14.293   5.6341   18.189   6.4894   2.3691   11.354   78.499   18.064   49.181   22.406 29.31827 28.78073 
1 1 1    7   29   39 o   71.474   19.865   15.928   6.8743   15.928   6.8743   0.0000   0.0000   71.474   19.865  ?   ?       ?      ? 
1 1 1    7   29   40 o   73.572   19.074   22.283   8.5962   20.901   12.108   23.687   12.206   71.366   26.796   75.778   27.153 -4.411995 38.14831 
1 1 1    7   29   41 f   54.059   16.423   9.4798   7.4676   9.1737   10.505   9.7924   10.617   53.659   23.111   54.458   23.340 -0.7991676 32.84621 
1 1 1    7   30    0 o   92.256   19.423   25.897   10.309   25.897   10.309   25.897   10.309   92.256   27.469   92.256   27.469 -0.000000 0.000000 
1 1 1    7   30    1 o   48.573   20.510   1.9900   7.9896   0.0000   0.0000   1.9900   7.9896  ?   ?    48.573   20.510      ?      ? 
1 1 1    7   30    2 o   29.717   10.416 -13.7058   4.8890 -12.4728   5.8976 -16.4147   8.7416   26.437   13.063   32.996   16.226 -6.558861 20.83101 
1 1 1    7   30    3 o  135.859   16.582   48.586   10.109   36.419   13.492   64.160   15.264  114.105   25.893  157.614   20.722 -43.50925 33.16434 
1 1 1    7   30    4 o   93.614   12.369   22.568   5.2233   24.044   6.9694   20.676   7.8898   98.702   15.109   88.526   19.589 10.17626 24.73839 
1 1 1    7   30    5 o  104.463   13.436   27.598   6.0162   26.528   7.3081   29.848   10.597  103.670   15.084  105.257   22.239 -1.586220 26.87211 
1 1 1    7   30    6 o   66.506   13.102   11.634   4.2337   12.526   5.7441   10.573   6.2643   69.275   17.682   63.737   19.340 5.538490 26.20462 
1 1 1    7   30    7 o  246.712   21.925  176.649   23.489  172.683   40.348  178.681   28.888  234.855   36.760  258.569   23.906 -23.71384 43.84989 
1 1 1    7   30    8 o  104.632   15.758   31.104   7.1848   23.785   12.464   34.746   8.7926   91.066   27.201  118.199   15.917 -27.13296 31.51598 
1 1 1    7   30    9 o  113.876   11.461   32.406   6.0818   33.519   8.3977   31.179   8.8198  116.262   15.455  111.489   16.927 4.772438 22.92143 
1 1 1    7   30   10 o  203.215   22.118  121.189   20.364  106.382   28.580  136.461   29.025  186.405   34.061  220.025   28.226 -33.61935 44.23680 
1 1 1    7   30   11 o  121.600   25.651   41.451   14.119   41.451   14.119   0.0000   0.0000  121.600   25.651  ?   ?       ?      ? 
1 1 1    7   30   12 o  318.901   21.182  265.875   31.570   0.0000   0.0000  265.875   31.570  ?   ?   318.901   21.182      ?      ? 
1 1 1    7   30   13 o   97.387   14.686   25.249   6.2979   24.627   10.750   25.574   7.7711   93.765   24.325  101.009   16.462 -7.243790 29.37151 
1 1 1    7   30   14 o   44.837   16.191   4.4263   4.3488   0.0000   0.0000   4.4263   4.3488  ?   ?    44.837   16.191      ?      ? 
1 1 1    7   30   15 o   63.617   14.559   10.646   4.8506   9.3186   8.3347   11.326   5.9648   61.730   22.395   65.505   18.610 -3.775108 29.11844 
1 1 1    7   30   16 o  209.700   16.114  112.963   13.814  128.883   27.501  107.590   15.976  212.750   27.659  206.651   16.542 6.099472 32.22808 
1 1 1    7   30   17 o  120.238   15.660   41.769   7.7439   32.225   13.669   46.280   9.3973  104.122   27.632  136.355   14.747 -32.23308 31.32088 
1 1 1    7   30   18 o  116.859   13.263   33.527   6.1330   40.915   12.508   31.189   7.0369  121.371   22.891  112.347   13.402 9.023849 26.52570 
1 1 1    7   30   19 o   93.333   14.537   24.113   5.4951   22.386   11.192   24.661   6.3077   86.949   25.732   99.717   13.535 -12.76841 29.07468 
1 1 1    7   30   20 o   53.040   12.507   7.3728   4.1860  -3.8878   8.5993   10.870   4.7921   41.811   19.217   64.269   16.013 -22.45784 25.01401 
1 1 1    7   30   21 o   81.084   13.912   20.026   5.0774   11.178   10.190   22.949   5.8562   65.748   24.602   96.419   12.996 -30.67101 27.82351 
1 1 1    7   30   22 o  131.798   13.453   44.595   6.8933   48.137   13.941   43.449   7.9307  130.796   23.677  132.799   12.778 -2.002197 26.90533 
1 1 1    7   30   23 o   69.977   16.278   12.909   5.2231   0.0000   0.0000   12.909   5.2231  ?   ?    69.977   16.278      ?      ? 
1 1 1    7   30   24 o   78.785   15.551   16.203   5.7150   23.573   9.9954   12.623   6.9660   90.049   23.501   67.522   20.373 22.52618 31.10241 
1 1 1    7   30   25 o   58.219   15.146   8.0386   5.8346   13.284   8.0005   2.0796   8.5273   68.238   22.030   48.200   20.791 20.03893 30.29127 
1 1 1    7   30   26 o  137.818   16.917   57.463   9.6193   60.890   11.733   50.438   16.800  152.425   16.471  123.211   29.555 29.21417 33.83468 
1 1 1    7   30   27 o   58.389   13.097   6.8178   4.6321   17.756   7.3794  -0.2938   5.9503   78.632   20.026   38.146   16.885 40.48524 26.19417 
1 1 1    7   30   28 o   49.664   12.919   6.0758   3.8804   4.4562   6.8161   6.8523   4.7199   48.218   19.506   51.109   16.946 -2.890842 25.83867 
1 1 1    7   30   29 o   78.321   13.377   15.517   4.4970   22.058   8.4565   12.938   5.3100   87.582   20.943   69.059   16.647 18.52296 26.75335 
1 1 1    7   30   30 o   82.922   11.753   19.245   4.3392   15.202   6.8345   21.976   5.6164   72.623   19.657   93.221   12.891 -20.59827 23.50680 
1 1 1    7   30   31 o   90.361   12.734   23.515   5.2511   15.091   7.4609   31.784   7.3918   70.394   21.050  110.328   14.336 -39.93404 25.46772 
1 1 1    7   30   32 o   70.972   13.261   14.894   4.6675   20.087   6.6414   9.8250   6.5611   84.198   17.451   57.746   19.972 26.45203 26.52206 
1 1 1    7   30   33 o   56.755   13.215   9.4749   4.0909   8.3169   6.0080   10.476   5.5859   53.822   19.075   59.688   18.293 -5.866623 26.42924 
1 1 1    7   30   34 o   61.325   12.458   7.6956   4.6116  -1.2457   5.8248   22.713   7.5489   35.330   16.077   87.320   19.035 -51.99068 24.91606 
1 1 1    7   30   35 o   55.060   14.363   9.3406   5.2367   12.107   6.2674   2.9436   9.5312   62.618   19.408   47.501   21.178 15.11708 28.72580 
1 1 1    7   30   36 o   60.348   16.487   10.745   7.4378   20.059   10.300   0.5950   10.752   74.051   25.038   46.644   21.456 27.40610 32.97432 
1 1 1    7   30   37 o   44.981   14.440   0.4685   6.7513  -4.7985   9.4244   6.0208   9.6763   39.372   18.729   50.589   21.983 -11.21746 28.87989 
1 1 1    7   30   38 o  100.445   16.505   33.144   7.2633   43.687   12.704   28.024   8.8530  108.557   25.477   92.334   20.991 16.22306 33.01094 
1 1 1    7   31    0 o  139.805   11.755   49.220   10.457   49.220   10.457   49.220   10.457  139.805   16.624  139.805   16.624 -0.000000 0.000000 
1 1 1    7   31    1 o  113.279   13.997   32.536   6.9812   38.019   11.802   29.585   8.6586  118.408   22.140  108.149   17.131 10.25896 27.99388 
1 1 1    7   31    2 o  160.556   12.103   65.977   8.8824   79.986   12.497   51.677   12.627  179.485   14.899  141.626   19.077 37.85873 24.20546 
1 1 1    7   31    3 o   94.720   15.759   27.401   6.8641   32.410   8.1802   15.482   12.619  114.027   15.350   75.414   27.526 38.61232 31.51711 
1 1 1    7   31    4 o  285.260   19.619  210.360   24.909  157.143   30.296  321.391   43.760  235.073   27.576  335.446   27.914 -100.3726 39.23811 
1 1 1    7   31    5 o  103.306   12.828   27.789   5.9242   19.942   8.1886   36.407   8.5813   85.746   20.675  120.865   15.192 -35.11906 25.65616 
1 1 1    7   31    6 o  161.954   16.545   73.480   11.194   63.988   18.948   78.569   13.875  147.725   28.478  176.184   16.851 -28.45906 33.08981 
1 1 1    7   31    7 o  100.603   12.147   26.107   5.5495   29.280   7.8610   22.956   7.8355  108.088   15.562   93.118   18.655 14.96996 24.29362 
1 1 1    7   31    8 o  148.622   12.114   56.317   8.4040   59.029   11.850   53.573   11.921  152.590   16.616  144.654   17.633 7.935455 24.22876 
1 1 1    7   31    9 o  105.290   12.484   29.357   5.8459   34.979   8.0490   23.080   8.5044  118.438   14.542   92.143   20.297 26.29420 24.96837 
1 1 1    7   31   10 o   79.719   12.444   16.631   4.7074   10.315   6.4691   23.740   6.8629   62.208   19.781   97.230   15.103 -35.02185 24.88741 
1 1 1    7   31   11 o   64.476   13.199   11.063   4.2078   9.6425   5.7089   12.752   6.2261   60.274   18.497   68.679   18.833 -8.404938 26.39779 
1 1 1    7   31   12 o   64.345   14.478   9.6741   4.7780   16.815   8.3864   6.2424   5.8138   77.249   22.108   51.440   18.698 25.80864 28.95509 
1 1 1    7   31   13 o  122.803   13.398   38.258   6.4947   43.286   13.024   36.593   7.4930  124.007   23.328  121.599   13.185 2.407852 26.79646 
1 1 1    7   31   14 o   90.934   14.173   26.417   5.5006   13.216   10.959   30.862   6.3596   69.677   25.619  112.191   12.129 -42.51405 28.34526 
1 1 1    7   31   15 o  100.607   16.545   25.801   7.7793   0.0000   0.0000   25.801   7.7793  ?   ?   100.607   16.545      ?      ? 
1 1 1    7   31   16 o  170.774   12.684   66.620   9.1340   98.244   18.307   56.139   10.539  192.133   20.388  149.415   15.093 42.71744 25.36715 
1 1 1    7   31   17 o   70.937   18.559   13.614   6.2233   0.0000   0.0000   13.614   6.2233  ?   ?    70.937   18.559      ?      ? 
1 1 1    7   31   18 o  160.596   17.867   77.995   10.501   64.755   21.043   82.386   12.118  140.002   32.744  181.189   14.310 -41.18744 35.73482 
1 1 1    7   31   19 o   44.863   11.453   4.3557   3.5668  -5.5224   7.1776   7.5948   4.1102   35.932   16.863   53.794   15.501 -17.86189 22.90547 
1 1 1    7   31   20 o  107.840   15.589   34.114   7.2639   29.587   12.487   36.429   8.9306   97.035   26.697  118.645   16.106 -21.60970 31.17894 
1 1 1    7   31   21 o   48.547   13.326   5.1542   4.4025   2.5049   7.0777   6.8261   5.6226   45.392   19.243   51.702   18.439 -6.309803 26.65110 
1 1 1    7   31   22 o   61.210   16.354   10.089   6.3810   8.0185   8.5049   12.757   9.6519   56.636   22.151   65.785   24.064 -9.148964 32.70700 
1 1 1    7   31   23 o   72.259   16.525   15.788   6.3506   15.565   8.6100   16.054   9.4047   72.020   22.812   72.498   23.914 -0.4782486 33.04984 
1 1 1    7   31   24 o   53.822   22.025   5.9101   8.8103   0.0000   0.0000   5.9101   8.8103  ?   ?    53.822   22.025      ?      ? 
1 1 1    7   31   25 f   52.576   21.166   5.9201   7.9836   0.0000   0.0000   5.9201   7.9836  ?   ?    52.576   21.166      ?      ? 
1 1 1    7   31   26 o  126.207   17.141   42.846   10.110   0.0000   0.0000   42.846   10.110  ?   ?   126.207   17.141      ?      ? 
1 1 1    7   31   27 o   98.088   14.537   28.323   6.3598   28.084   10.418   28.466   8.0298   93.826   23.739  102.349   16.787 -8.522888 29.07477 
1 1 1    7   31   28 o   66.149   13.025   13.172   4.4038   16.920   5.9142   8.5095   6.5973   77.600   16.795   54.698   19.913 22.90243 26.04962 
1 1 1    7   31   29 o  105.149   11.758   30.376   5.7735   28.909   8.0153   31.959   8.3234  102.398   16.749  107.901   16.506 -5.503258 23.51526 
1 1 1    7   31   30 o   54.082   13.304   8.7575   4.5560   2.0712   8.0882   11.865   5.5140   44.690   19.738   63.474   17.844 -18.78354 26.60813 
1 1 1    7   31   31 o   45.311   13.123   2.9104   4.2040   9.3732   7.6214   0.0840   5.0401   55.638   21.174   34.983   15.509 20.65551 26.24650 
1 1 1    7   31   32 f   64.359   14.047   14.491   5.5359   2.0975   10.727   18.990   6.4630   48.101   21.862   80.616   17.644 -32.51486 28.09336 
1 1 1    7   31   33 o   88.562   17.177   29.800   8.9056   11.609   13.191   45.035   12.072   59.367   25.733  117.757   22.759 -58.38998 34.35308 
1 1 1    7   31   34 o   43.859   12.876  -0.0509   4.5224   11.700   7.8614  -5.8632   5.5289   58.889   21.691   28.830   13.881 30.05902 25.75237 
1 1 1    7   31   35 o   53.575   13.544   9.2685   5.2396  -2.6796   9.6703   14.234   6.2340   40.667   19.235   66.483   19.071 -25.81682 27.08714 
1 1 1    7   32    1 o  155.745   11.791   61.999   8.5361   54.680   11.980   69.547   12.166  145.643   17.600  165.848   15.696 -20.20511 23.58255 
1 1 1    7   32    2 o  162.810   19.596   77.953   14.353   63.006   19.889   94.198   20.734  141.909   30.867  183.711   24.149 -41.80182 39.19122 
1 1 1    7   32    3 o   92.904   14.513   23.424   6.0258   24.828   9.6154   22.515   7.7326   94.087   22.222   91.720   18.674 2.367004 29.02630 
1 1 1    7   32    4 o  103.440   12.218   28.075   5.6697   33.403   7.9759   22.633   8.0611  115.406   14.788   91.474   19.455 23.93166 24.43697 
1 1 1    7   32    5 o  166.734   12.681   72.221   9.8343   78.463   13.785   65.753   14.034  175.049   16.851  158.418   18.955 16.63080 25.36196 
1 1 1    7   32    6 o   42.248   11.737   3.2098   3.3752   1.9199   5.4750   4.0006   4.2866   41.342   17.183   43.154   15.994 -1.811977 23.47491 
1 1 1    7   32    7 o   61.895   12.182   10.439   3.7428   7.5370   5.7710   12.547   4.9171   54.549   18.739   69.242   15.572 -14.69370 24.36454 
1 1 1    7   32    8 o  158.658   12.101   68.684   8.2978   47.529   12.830   83.895   10.879  132.958   20.648  184.359   12.627 -51.40161 24.20279 
1 1 1    7   32    9 o  117.987   12.009   35.661   6.5929   31.632   8.9296   40.489   9.7751  110.512   17.289  125.462   16.671 -14.94939 24.01770 
1 1 1    7   32   10 o  147.319   14.564   58.364   9.4944   59.698   16.146   57.659   11.738  145.236   23.787  149.401   16.812 -4.164413 29.12836 
1 1 1    7   32   11 f  148.861   12.540   58.386   8.6118   67.844   12.160   48.868   12.198  162.527   16.008  135.194   19.307 27.33327 25.08013 
1 1 1    7   32   12 f  103.106   12.405   29.050   5.6049   38.265   7.8419   19.426   8.0138  123.430   13.594   82.782   20.753 40.64840 24.80928 
1 1 1    7   32   13 o   45.386   12.327   3.9031   4.0865  -3.6864   7.3305   7.3250   4.9222   38.013   17.568   52.759   17.296 -14.74577 24.65354 
1 1 1    7   32   14 o   62.762   14.300   9.6182   4.6779   16.825   8.1440   6.0696   5.7147   75.579   21.832   49.946   18.476 25.63353 28.60085 
1 1 1    7   32   15 o  143.745   16.489   54.428   11.077   0.0000   0.0000   54.428   11.077  ?   ?   143.745   16.489      ?      ? 
1 1 1    7   32   16 o   67.793   14.249   13.021   4.7310   14.110   7.7977   12.387   5.9515   69.177   21.683   66.410   18.492 2.767090 28.49745 
1 1 1    7   32   17 o   49.570   12.848   3.4780   4.0251   11.981   7.0472  -0.6388   4.9036   64.682   20.654   34.457   15.286 30.22500 25.69528 
1 1 1    7   32   18 o   68.683   12.593   10.167   4.4624   24.401   7.7343   3.0655   5.4634   94.448   18.182   42.918   17.428 51.53017 25.18560 
1 1 1    7   32   19 o   56.957   13.820   9.0044   4.4389   5.1789   8.5081   10.435   5.2032   52.199   21.535   61.715   17.328 -9.516186 27.64079 
1 1 1    7   32   20 o   92.847   18.062   27.383   8.1551   23.256   11.351   31.785   11.724   84.687   26.098  101.007   24.976 -16.31993 36.12372 
1 1 1    7   32   21 o  135.440   20.424   62.485   12.561   70.879   17.892   54.329   17.637  147.945   26.867  122.936   30.770 25.00883 40.84894 
1 1 1    7   32   22 o   45.777   20.232   1.6351   8.5126   0.0000   0.0000   1.6351   8.5126  ?   ?    45.777   20.232      ?      ? 
1 1 1    7   32   23 o   41.286   17.121   2.8208   5.4179   0.0000   0.0000   2.8208   5.4179  ?   ?    41.286   17.121      ?      ? 
1 1 1    7   32   24 o   35.179   15.942  -1.1969   5.6529   0.0000   0.0000  -1.1969   5.6529  ?   ?    35.179   15.942      ?      ? 
1 1 1    7   32   25 o   46.461   13.405   4.2857   4.9763  -3.1203   8.7351   7.8440   6.0549   40.352   18.829   52.571   19.086 -12.21884 26.81025 
1 1 1    7   32   26 o   45.236   12.929   4.2742   3.8465   6.2593   7.4082   3.5416   4.5007   49.922   20.286   40.551   16.035 9.370777 25.85796 
1 1 1    7   32   27 o   36.439   11.732  -0.4125   3.7959  -0.5238   7.8523  -0.3785   4.3362   40.821   18.611   32.056   14.288 8.764950 23.46341 
1 1 1    7   32   28 o   72.357   15.996   16.801   5.6903   20.527   10.258   15.145   6.8391   75.152   24.984   69.561   19.982 5.590401 31.99180 
1 1 1    7   32   29 o   38.279   16.620   1.4299   5.5217   0.0000   0.0000   1.4299   5.5217  ?   ?    38.279   16.620      ?      ? 
1 1 1    7   32   30 o   61.810   13.422   7.0631   4.6610   25.501   8.8223  -0.0761   5.4897   88.080   21.597   35.540   15.942 52.53913 26.84397 
1 1 1    7   32   31 o   65.171   14.039   15.597   5.4323   5.8768   9.8084   19.898   6.5244   49.361   21.772   80.980   17.731 -31.61855 28.07807 
1 1 1    7   33    0 o   36.750   16.024   3.7881   7.6154   3.7881   7.6154   3.7881   7.6154   36.750   22.662   36.750   22.662 -0.000000 0.000000 
1 1 1    7   33    1 o  112.122   15.780   35.673   7.5164   34.093   9.0211   39.259   13.593  113.280   17.040  110.964   26.564 2.315521 31.55912 
1 1 1    7   33    2 o   46.694   13.599   2.8993   4.3646   1.2293   5.1375   7.2306   8.2738   38.366   16.334   55.022   21.746 -16.65587 27.19727 
1 1 1    7   33    3 o   73.284   12.602   15.296   4.6131   20.779   6.2464   8.7177   6.8419   89.734   14.895   56.834   20.333 32.90023 25.20473 
1 1 1    7   33    4 o  145.710   11.891   56.102   8.0853   52.183   11.241   60.302   11.638  140.083   17.171  151.338   16.454 -11.25549 23.78177 
1 1 1    7   33    5 o   50.234   12.008   5.6823   3.9950   11.178   5.3009  -1.5432   6.0782   63.681   17.343   36.787   16.613 26.89436 24.01616 
1 1 1    7   33    6 o  100.672   14.248   26.272   6.6588   47.973   10.856   13.181   8.4312  134.372   17.286   66.971   22.654 67.40085 28.49553 
1 1 1    7   33    7 o   58.942   12.167   8.9009   3.6549   13.495   5.6792   5.6533   4.7752   70.099   17.413   47.784   16.998 22.31467 24.33448 
1 1 1    7   33    8 o   89.268   11.929   22.563   4.6522   15.686   7.2778   27.314   6.0496   73.935   20.398  104.601   12.375 -30.66619 23.85849 
1 1 1    7   33    9 o  162.265   11.914   70.645   8.6956   61.908   13.634   76.636   11.290  150.727   19.355  173.803   13.899 -23.07623 23.82852 
1 1 1    7   33   10 o   43.084   12.269   3.2189   3.8326   0.8921   6.2435   4.6259   4.8549   40.926   17.721   45.242   16.971 -4.315533 24.53700 
1 1 1    7   33   11 o   63.005   12.014   10.529   3.7817   15.487   5.6207   6.4280   5.1118   75.817   16.344   50.193   17.613 25.62395 24.02835 
1 1 1    7   33   12 o   63.013   12.144   10.572   3.7226   14.465   5.6959   7.6700   4.9183   72.615   17.071   53.410   17.276 19.20485 24.28763 
1 1 1    7   33   13 o   36.766   10.817   1.3737   3.1109   3.1013   4.5545  -0.1373   4.2594   40.588   16.105   32.944   14.444 7.643700 21.63339 
1 1 1    7   33   14 o   36.689   10.710   1.3825   3.0947  -0.9784   4.3682   3.7618   4.3851   31.737   14.229   41.642   16.010 -9.905329 21.41944 
1 1 1    7   33   15 o   82.863   14.502   19.536   5.2936   23.817   9.4395   17.572   6.3935   87.016   22.900   78.709   17.798 8.307526 29.00354 
1 1 1    7   33   16 o   62.654   13.772   11.889   4.5042   9.7140   7.4074   13.165   5.6737   57.629   21.081   67.679   17.727 -10.05084 27.54384 
1 1 1    7   33   17 o   76.948   25.307   20.509   10.535   0.0000   0.0000   20.509   10.535  ?   ?    76.948   25.307      ?      ? 
1 1 1    7   33   18 o   91.220   15.162   24.583   6.0958   29.990   10.521   21.850   7.4791   96.208   23.581   86.232   19.065 9.975983 30.32426 
1 1 1    7   33   19 o  119.792   16.736   39.665   9.3697   0.0000   0.0000   39.665   9.3697  ?   ?   119.792   16.736      ?      ? 
1 1 1    7   33   20 o   65.428   23.994   14.595   9.6041   0.0000   0.0000   14.595   9.6041  ?   ?    65.428   23.994      ?      ? 
1 1 1    7   33   21 o   27.235   12.458  -1.5560   3.5558   0.0000   0.0000  -1.5560   3.5558  ?   ?    27.235   12.458      ?      ? 
1 1 1    7   33   22 o   73.586   18.169   16.107   6.2111   0.0000   0.0000   16.107   6.2111  ?   ?    73.586   18.169      ?      ? 
1 1 1    7   33   23 o   60.012   16.708   10.469   4.8586   0.0000   0.0000   10.469   4.8586  ?   ?    60.012   16.708      ?      ? 
1 1 1    7   33   24 f  126.231   17.775   55.156   9.5524   51.703   16.604   56.864   11.679  111.863   30.789  140.599   17.773 -28.73666 35.55083 
1 1 1    7   33   25 o   88.843   14.163   22.595   5.4856   32.568   9.7245   17.941   6.6435  101.007   21.272   76.678   18.705 24.32961 28.32655 
1 1 1    7   33   26 o   44.626   13.179   4.1306   4.4272   6.9722   7.3838   2.5357   5.5318   49.629   20.219   39.624   16.911 10.00496 26.35895 
1 1 1    7   33   27 o   59.522   15.124   11.997   5.1232   13.448   9.3737   11.379   6.1178   59.962   23.309   59.083   19.278 0.8784409 30.24824 
1 1 1    7   34    0 o   52.488   16.473   10.455   6.0369   10.455   6.0369   10.455   6.0369   52.488   23.296   52.488   23.296 -0.000000 0.000000 
1 1 1    7   34    1 o   98.498   12.206   26.859   5.4712   30.706   7.9665   23.425   7.5272  106.688   15.977   90.307   18.458 16.38062 24.41254 
1 1 1    7   34    2 o   92.975   12.788   24.648   5.3501   25.226   7.4114   24.019   7.7310   94.789   17.370   91.161   18.772 3.628319 25.57536 
1 1 1    7   34    3 o  131.999   11.907   47.715   7.3265   43.758   10.238   51.868   10.488  125.700   17.428  138.299   16.227 -12.59894 23.81339 
1 1 1    7   34    4 o   66.517   15.109   13.788   5.2765   13.276   8.6485   14.091   6.6596   64.565   22.886   68.470   19.732 -3.905045 30.21776 
1 1 1    7   34    5 o   55.734   15.101   8.5533   4.9990   8.6828   5.6347   8.0744   10.834   55.043   18.520   56.424   23.857 -1.380802 30.20159 
1 1 1    7   34    6 o   60.075   13.536   10.514   4.2832   8.8779   5.7511   12.553   6.4185   55.490   18.710   64.661   19.566 -9.171459 27.07229 
1 1 1    7   34    7 o   74.388   13.482   16.317   4.7154   14.490   6.4627   18.397   6.8954   69.683   19.221   79.092   18.910 -9.409119 26.96367 
1 1 1    7   34    8 o   59.543   13.193   10.844   4.1715   7.5420   7.3992   12.382   5.0506   52.873   20.666   66.213   16.406 -13.33953 26.38590 
1 1 1    7   34    9 o   50.670   13.747   6.4084   4.3921   8.9462   7.4497   5.0564   5.4376   55.543   20.983   45.796   17.767 9.746960 27.49450 
1 1 1    7   34   10 o   86.987   13.174   20.655   4.7913   26.283   9.0503   18.464   5.6476   91.949   21.453   82.025   15.295 9.923645 26.34733 
1 1 1    7   34   11 o   46.531   13.625   4.6935   4.4994   5.5392   5.1025   1.7367   9.5405   46.381   17.399   46.680   20.972 -0.2995224 27.24955 
1 1 1    7   34   12 o   41.993   10.689   1.9013   3.3504   9.3486   4.8656  -4.8142   4.6203   56.849   16.999   27.137   12.966 29.71183 21.37886 
1 1 1    7   34   13 f   65.705   14.085   13.945   4.9739   9.1976   7.8896   17.077   6.4078   55.482   21.435   75.928   18.278 -20.44603 28.16976 
1 1 1    7   34   14 o   93.936   15.475   29.066   7.6963   46.672   11.116   12.856   10.666  126.371   18.822   61.500   24.569 64.87012 30.94950 
1 1 1    7   34   15 o   56.265   12.671   9.4023   4.6825  -1.1182   7.7463   15.460   5.8779   39.922   18.308   72.609   17.522 -32.68651 25.34195 
1 1 1    7   34   16 o   75.344   15.038   18.792   5.5762   16.153   9.1372   20.358   7.0390   68.159   23.569   82.528   18.685 -14.36938 30.07700 
1 1 1    7   34   17 o   55.303   21.301   9.2748   7.7732   0.0000   0.0000   9.2748   7.7732  ?   ?    55.303   21.301      ?      ? 
1 1 1    7   34   18 o   94.381   17.067   25.610   7.2511   0.0000   0.0000   25.610   7.2511  ?   ?    94.381   17.067      ?      ? 
1 1 1    7   34   19 o   86.991   17.168   22.044   6.7318   0.0000   0.0000   22.044   6.7318  ?   ?    86.991   17.168      ?      ? 
1 1 1    7   34   20 o  122.509   20.941   61.824   12.042   73.536   17.343   50.920   16.734  139.488   27.580  105.531   31.517 33.95742 41.88114 
1 1 1    7   34   21 o   60.486   15.242   12.751   5.4823   10.954   7.8137   14.494   7.6939   56.678   21.471   64.293   21.641 -7.615517 30.48477 
1 1 1    7   34   22 f   43.568   12.631   2.8967   3.5435   9.8457   7.4595   0.8716   4.0269   54.377   20.887   32.759   14.208 21.61801 25.26159 
1 1 1    7   35    1 o   61.426   22.765   12.542   8.6840   12.542   8.6840   0.0000   0.0000   61.426   22.765  ?   ?       ?      ? 
1 1 1    7   35    2 o   70.765   14.015   16.885   5.1065   10.561   8.9411   19.947   6.2209   57.760   22.677   83.769   16.477 -26.00884 28.03087 
1 1 1    7   35    3 o   67.576   13.666   12.124   4.7267   23.396   8.0300   6.1484   5.8470   87.081   20.133   48.070   18.486 39.01194 27.33246 
1 1 1    7   35    4 o  123.735   17.648   54.463   9.3413   44.278   16.084   59.648   11.475  101.928   31.003  145.542   16.870 -43.61382 35.29533 
1 1 1    7   35    5 o   55.080   12.646   8.8386   3.9997   12.638   5.5490   4.7296   5.7704   65.208   17.738   44.951   18.030 20.25750 25.29285 
1 1 1    7   35    6 o  144.623   13.016   61.003   8.7658   63.748   12.177   58.050   12.629  149.484   17.430  139.762   19.335 9.722137 26.03155 
1 1 1    7   35    7 o   85.526   13.337   23.208   5.5141   31.918   7.5176   13.064   8.1127  108.439   14.834   62.613   22.168 45.82568 26.67362 
1 1 1    7   35    8 o   84.217   24.328   25.055   10.112   25.055   10.112   0.0000   0.0000   84.217   24.328  ?   ?       ?      ? 
1 1 1    7   35    9 o   61.405   14.487   11.854   4.8022   10.394   6.1951   14.053   7.6013   57.797   19.419   65.012   21.502 -7.214806 28.97325 
1 1 1    7   35   10 o   68.502   16.098   15.690   5.8987   20.522   9.6023   12.762   7.4754   75.100   24.123   61.904   21.323 13.19557 32.19630 
1 1 1    7   35   11 o   58.898   13.601   10.013   5.5413  -2.3380   8.3526   19.721   7.4057   39.230   18.341   78.567   20.090 -39.33718 27.20282 
1 1 1    7   35   12 o   78.831   25.572   24.439   10.770   0.0000   0.0000   24.439   10.770  ?   ?    78.831   25.572      ?      ? 
1 1 1    7   35   13 o   30.684   14.755  -5.8122   6.2020  -5.8122   6.2020   0.0000   0.0000   30.684   14.755  ?   ?       ?      ? 
1 1 1    7   35   14 o   63.892   15.621   14.805   5.8588   17.774   8.0001   11.370   8.6040   70.949   21.917   56.835   22.265 14.11337 31.24289 
1 1 1    7   35   15 o   47.626   13.010   6.6192   4.1296   5.2441   6.6705   7.4737   5.2585   45.592   18.960   49.659   17.819 -4.066921 26.01903 
1 1 1    8    0    0 o  1042.46   91.301  2908.23  603.119  2908.23  603.119  2908.23  603.119  1042.46  129.119  1042.46  129.119 -0.000000 0.000000 
1 1 1    8    0    1 o  235.809   11.427  132.192   17.617  132.192   17.617  132.192   17.617  235.809   16.160  235.809   16.160 -0.000000 0.000000 
1 1 1    8    0    2 o  499.511   22.281  597.373   72.890  597.373   72.890  597.373   72.890  499.511   31.511  499.511   31.511 -0.000000 0.000000 
1 1 1    8    0    3 o  315.289   27.016  246.406   54.099  246.406   54.099  246.406   54.099  315.289   38.207  315.289   38.207 -0.000000 0.000000 
1 1 1    8    0    4 f  379.339   17.096  342.848   42.463  342.848   42.463  342.848   42.463  379.339   24.177  379.339   24.177 -0.000000 0.000000 
1 1 1    8    0    5 o  285.406   16.597  195.516   30.820  195.516   30.820  195.516   30.820  285.406   23.471  285.406   23.471 -0.000000 0.000000 
1 1 1    8    0    6 o  478.279   26.689  554.198   83.160  554.198   83.160  554.198   83.160  478.279   37.745  478.279   37.745 -0.000000 0.000000 
1 1 1    8    0    7 o  464.469   20.337  515.116   61.883  515.116   61.883  515.116   61.883  464.469   28.761  464.469   28.761 -0.000000 0.000000 
1 1 1    8    0    8 o  578.640   21.724  797.747   82.545  797.747   82.545  797.747   82.545  578.640   30.722  578.640   30.722 -0.000000 0.000000 
1 1 1    8    0    9 o  705.721   31.053  1200.99  143.558  1200.99  143.558  1200.99  143.558  705.721   43.916  705.721   43.916 -0.000000 0.000000 
1 1 1    8    0   10 o  204.517   10.205   99.379   13.636   99.379   13.636   99.379   13.636  204.517   14.431  204.517   14.431 -0.000000 0.000000 
1 1 1    8    0   11 o  639.996   26.820  978.529  112.535  978.529  112.535  978.529  112.535  639.996   37.929  639.996   37.929 -0.000000 0.000000 
1 1 1    8    0   12 o  305.923   14.326  222.234   28.675  222.234   28.675  222.234   28.675  305.923   20.260  305.923   20.260 -0.000000 0.000000 
1 1 1    8    0   13 o  388.782   17.863  359.260   45.456  359.260   45.456  359.260   45.456  388.782   25.262  388.782   25.262 -0.000000 0.000000 
1 1 1    8    0   14 o  157.887   8.8139   59.395   9.0657   59.395   9.0657   59.395   9.0657  157.887   12.465  157.887   12.465 -0.000000 0.000000 
1 1 1    8    0   15 o  367.773   20.219  323.473   48.464  323.473   48.464  323.473   48.464  367.773   28.594  367.773   28.594 -0.000000 0.000000 
1 1 1    8    0   16 o  235.800   14.112  133.041   21.631  133.041   21.631  133.041   21.631  235.800   19.957  235.800   19.957 -0.000000 0.000000 
1 1 1    8    0   17 o  656.370   35.975  1042.18  153.910  1042.18  153.910  1042.18  153.910  656.370   50.877  656.370   50.877 -0.000000 0.000000 
1 1 1    8    0   18 o  489.077   27.057  574.664   86.228  574.664   86.228  574.664   86.228  489.077   38.264  489.077   38.264 -0.000000 0.000000 
1 1 1    8    0   19 o  143.691   16.229   51.948   14.234   51.948   14.234   51.948   14.234  143.691   22.951  143.691   22.951 -0.000000 0.000000 
1 1 1    8    0   20 o   45.191   13.389   6.7448   4.0130   6.7448   4.0130   6.7448   4.0130   45.191   18.934   45.191   18.934 -0.000000 0.000000 
1 1 1    8    0   21 o  209.094   13.316  104.880   18.059  104.880   18.059  104.880   18.059  209.094   18.831  209.094   18.831 -0.000000 0.000000 
1 1 1    8    0   22 o  359.261   20.368  309.130   47.648  309.130   47.648  309.130   47.648  359.261   28.805  359.261   28.805 -0.000000 0.000000 
1 1 1    8    0   23 o  683.547   57.103  1187.59  248.514  1187.59  248.514  1187.59  248.514  683.547   80.755  683.547   80.755 -0.000000 0.000000 
1 1 1    8    0   24 o   32.637   15.262  -2.0569   8.5792  -2.0569   8.5792  -2.0569   8.5792   32.637   21.584   32.637   21.584 -0.000000 0.000000 
1 1 1    8    0   26 f  355.963   30.300  313.967   68.551  313.967   68.551  313.967   68.551  355.963   42.851  355.963   42.851 -0.000000 0.000000 
1 1 1    8    0   27 o  280.429   17.015  188.919   31.002  188.919   31.002  188.919   31.002  280.429   24.063  280.429   24.063 -0.000000 0.000000 
1 1 1    8    0   28 o  241.317   15.083  139.936   23.624  139.936   23.624  139.936   23.624  241.317   21.331  241.317   21.331 -0.000000 0.000000 
1 1 1    8    0   29 o  324.230   28.050  260.676   57.703  260.676   57.703  260.676   57.703  324.230   39.669  324.230   39.669 -0.000000 0.000000 
1 1 1    8    0   30 o  137.018   19.171   49.011   15.431   49.011   15.431   49.011   15.431  137.018   27.112  137.018   27.112 -0.000000 0.000000 
1 1 1    8    0   31 o  136.459   11.872   45.611   10.273   45.611   10.273   45.611   10.273  136.459   16.790  136.459   16.790 -0.000000 0.000000 
1 1 1    8    0   32 o  127.153   12.705   40.131   10.063   40.131   10.063   40.131   10.063  127.153   17.967  127.153   17.967 -0.000000 0.000000 
1 1 1    8    0   33 o  159.187   19.152   64.727   18.399   64.727   18.399   64.727   18.399  159.187   27.085  159.187   27.085 -0.000000 0.000000 
1 1 1    8    0   34 o  257.717   15.807  160.356   26.459  160.356   26.459  160.356   26.459  257.717   22.355  257.717   22.355 -0.000000 0.000000 
1 1 1    8    0   35 o   41.910   16.444   5.7055   6.7084   5.7055   6.7084   5.7055   6.7084   41.910   23.255   41.910   23.255 -0.000000 0.000000 
1 1 1    8    0   36 o   54.992   17.657   10.384   6.9383   10.384   6.9383   10.384   6.9383   54.992   24.971   54.992   24.971 -0.000000 0.000000 
1 1 1    8    0   37 o  104.355   10.455   27.067   6.7935   27.067   6.7935   27.067   6.7935  104.355   14.786  104.355   14.786 -0.000000 0.000000 
1 1 1    8    0   38 o  153.048   12.331   57.282   12.055   57.282   12.055   57.282   12.055  153.048   17.439  153.048   17.439 -0.000000 0.000000 
1 1 1    8    0   39 o   66.501   14.619   13.042   5.6299   13.042   5.6299   13.042   5.6299   66.501   20.675   66.501   20.675 -0.000000 0.000000 
1 1 1    8    0   40 f  101.492   15.117   27.361   8.9261   27.361   8.9261   27.361   8.9261  101.492   21.379  101.492   21.379 -0.000000 0.000000 
1 1 1    8    0   41 o  286.504   26.713  211.346   48.139  211.346   48.139  211.346   48.139  286.504   37.778  286.504   37.778 -0.000000 0.000000 
1 1 1    8    0   43 o  110.646   13.043   31.261   8.7411   31.261   8.7411   31.261   8.7411  110.646   18.445  110.646   18.445 -0.000000 0.000000 
1 1 1    8    0   44 o   98.228   11.068   24.434   6.6390   24.434   6.6390   24.434   6.6390   98.228   15.653   98.228   15.653 -0.000000 0.000000 
1 1 1    8    0   45 o   55.061   15.847   10.076   5.6629   10.076   5.6629   10.076   5.6629   55.061   22.412   55.061   22.412 -0.000000 0.000000 
1 1 1    8    0   46 o   81.994   13.274   18.230   6.2659   18.230   6.2659   18.230   6.2659   81.994   18.773   81.994   18.773 -0.000000 0.000000 
1 1 1    8    0   47 o   31.404   13.406   2.3516   5.0889   2.3516   5.0889   2.3516   5.0889   31.404   18.959   31.404   18.959 -0.000000 0.000000 
1 1 1    8    0   48 o   65.585   14.222   12.720   5.3892   12.720   5.3892   12.720   5.3892   65.585   20.113   65.585   20.113 -0.000000 0.000000 
1 1 1    8    0   49 o  155.153   10.246   58.560   10.296   58.560   10.296   58.560   10.296  155.153   14.489  155.153   14.489 -0.000000 0.000000 
1 1 1    8    0   50 o   20.971   10.240  -3.6179   4.7793  -3.6179   4.7793  -3.6179   4.7793   20.971   14.482   20.971   14.482 -0.000000 0.000000 
1 1 1    8    0   51 o   39.410   15.210   5.3241   5.6333   5.3241   5.6333   5.3241   5.6333   39.410   21.511   39.410   21.511 -0.000000 0.000000 
1 1 1    8    0   52 o   67.295   15.709   13.839   6.2074   13.839   6.2074   13.839   6.2074   67.295   22.216   67.295   22.216 -0.000000 0.000000 
1 1 1    8    0   53 o   56.748   16.888   11.003   6.3800   11.003   6.3800   11.003   6.3800   56.748   23.883   56.748   23.883 -0.000000 0.000000 
1 1 1    8    0   54 f   39.311   15.367   5.2656   5.8338   5.2656   5.8338   5.2656   5.8338   39.311   21.732   39.311   21.732 -0.000000 0.000000 
1 1 1    8    0   55 o   64.532   23.730   15.833   13.158   15.833   13.158   15.833   13.158   64.532   33.559   64.532   33.559 -0.000000 0.000000 
1 1 1    8    0   56 o   39.755   17.072   4.0931   8.3525   4.0931   8.3525   4.0931   8.3525   39.755   24.144   39.755   24.144 -0.000000 0.000000 
1 1 1    8    0   57 o   28.970   14.101  -5.6928   8.8928  -5.6928   8.8928  -5.6928   8.8928   28.970   19.941   28.970   19.941 -0.000000 0.000000 
1 1 1    8    0   58 o   74.104   25.467   21.609   14.628   21.609   14.628   21.609   14.628   74.104   36.016   74.104   36.016 -0.000000 0.000000 
1 1 1    8    0   59 o   24.435   12.059  -6.2722   7.1041  -6.2722   7.1041  -6.2722   7.1041   24.435   17.054   24.435   17.054 -0.000000 0.000000 
1 1 1    8    0   60 o   66.670   18.921   15.365   8.1058   15.365   8.1058   15.365   8.1058   66.670   26.758   66.670   26.758 -0.000000 0.000000 
1 1 1    8    0   61 o   85.327   20.761   24.060   10.534   24.060   10.534   24.060   10.534   85.327   29.361   85.327   29.361 -0.000000 0.000000 
1 1 1    8    0   62 f   34.829   15.651   1.8767   7.8654   1.8767   7.8654   1.8767   7.8654   34.829   22.134   34.829   22.134 -0.000000 0.000000 
1 1 1    8    0   63 f   48.089   18.198   8.9560   7.9175   8.9560   7.9175   8.9560   7.9175   48.089   25.736   48.089   25.736 -0.000000 0.000000 
1 1 1    8    0   64 o   36.833   15.783   4.1772   7.1062   4.1772   7.1062   4.1772   7.1062   36.833   22.320   36.833   22.320 -0.000000 0.000000 
1 1 1    8    0   65 o   90.340   21.115   27.406   11.205   27.406   11.205   27.406   11.205   90.340   29.861   90.340   29.861 -0.000000 0.000000 
1 1 1    8    0   66 o   34.068   15.476   2.0778   7.9504   2.0778   7.9504   2.0778   7.9504   34.068   21.886   34.068   21.886 -0.000000 0.000000 
1 1 1    8    0   67 o   39.568   17.607   4.9241   9.6867   4.9241   9.6867   4.9241   9.6867   39.568   24.900   39.568   24.900 -0.000000 0.000000 
1 1 1    8    0   68 o   69.799   19.408   18.478   8.5894   18.478   8.5894   18.478   8.5894   69.799   27.448   69.799   27.448 -0.000000 0.000000 
1 1 1    8    0   69 o   55.214   20.065   14.072   9.3318   14.072   9.3318   14.072   9.3318   55.214   28.376   55.214   28.376 -0.000000 0.000000 
1 1 1    8    1    0 o  454.008   25.326  498.403   74.907  498.403   74.907  498.403   74.907  454.008   35.816  454.008   35.816 -0.000000 0.000000 
1 1 1    8    1    1 o  306.415   15.599  222.265   21.877  221.709   34.590  222.635   28.244  305.704   24.211  307.125   19.677 -1.421387 31.19858 
1 1 1    8    1    2 o  550.846   34.465  749.295   70.341  756.917  157.273  747.389   78.645  542.687   62.010  559.005   30.103 -16.31818 68.93082 
1 1 1    8    1    3 o  587.070   40.512  894.904   93.706  827.313  187.395  917.439  108.206  558.777   71.759  615.363   37.625 -56.58655 81.02467 
1 1 1    8    1    4 o  494.614   23.952  580.351   54.549  637.514   86.253  542.246   70.422  513.719   35.926  475.510   31.689 38.20920 47.90438 
1 1 1    8    1    5 o  138.272   8.5408   44.508   5.4311   43.022   7.0250   46.714   8.5625  135.468   11.096  141.076   12.987 -5.608475 17.08159 
1 1 1    8    1    6 o  668.019   34.061  1112.05  103.699  1136.52  133.880  1075.34  163.952  681.832   42.014  654.206   53.624 27.62616 68.12285 
1 1 1    8    1    7 o  405.510   17.705  390.331   33.553  393.403   47.451  387.259   47.451  407.131   24.938  403.889   25.138 3.241730 35.40986 
1 1 1    8    1    8 o  161.710   8.5068   61.402   6.4152   56.787   9.0752   66.012   9.0698  155.607   12.479  167.813   11.565 -12.20589 17.01369 
1 1 1    8    1    9 o  465.541   23.475  522.171   49.795  498.984   78.735  537.627   64.283  455.590   36.979  475.491   28.927 -19.90082 46.94914 
1 1 1    8    1   10 o  273.162   11.977  175.345   15.281  168.253   21.604  182.446   21.618  267.603   17.274  278.720   16.596 -11.11676 23.95477 
1 1 1    8    1   11 o  644.137   31.499  1010.90   92.307  955.030  145.934  1048.16  119.177  626.589   49.834  661.684   38.539 -35.09528 62.99783 
1 1 1    8    1   12 o  569.919   28.350  775.840   74.031  785.833  117.043  769.175   95.579  571.658   43.809  568.180   35.994 3.477539 56.69956 
1 1 1    8    1   13 o  863.985   38.845  1820.56  156.785  1878.52  221.727  1762.61  221.727  878.338   54.015  849.633   55.840 28.70502 77.68983 
1 1 1    8    1   14 o  923.452   50.843  1950.03  196.494  2579.85  393.060  1740.19  226.878  1003.05   83.848  843.849   57.529 159.2061 101.6857 
1 1 1    8    1   15 o  362.522   19.660  310.462   33.288  323.249   47.089  297.689   47.063  370.064   27.227  354.980   28.368 15.08414 39.31987 
1 1 1    8    1   16 o  495.897   26.299  597.792   58.890  771.931   83.323  423.983   83.244  570.960   31.226  420.834   42.325 150.1259 52.59738 
1 1 1    8    1   17 o  780.351   42.247  1503.34  152.086  1768.11  215.106  1238.68  215.059  852.931   53.963  707.772   65.016 145.1592 84.49316 
1 1 1    8    1   18 o  571.345   30.863  784.316   82.178  718.299  116.211  850.346  116.223  546.620   45.490  596.071   41.721 -49.45111 61.72521 
1 1 1    8    1   19 o  291.792   16.331  200.492   22.264  195.271   31.494  205.708   31.479  287.965   23.402  295.619   22.785 -7.654510 32.66192 
1 1 1    8    1   20 o  465.768   24.624  520.028   52.888  424.183   74.777  615.967   74.814  421.717   37.941  509.819   31.400 -88.10098 49.24863 
1 1 1    8    1   21 o  582.393   30.669  815.364   83.267  880.260  117.772  750.498  117.744  606.229   41.568  558.558   45.105 47.67096 61.33839 
1 1 1    8    1   22 o  254.035   14.841  151.757   17.619  150.134   24.874  153.393   24.962  252.665   21.065  255.404   20.912 -2.739227 29.68244 
1 1 1    8    1   23 o  494.700   39.301  599.643   90.770  570.220  128.441  629.000  128.297  481.974   57.021  507.425   54.101 -25.45059 78.60203 
1 1 1    8    1   24 o  415.396   46.554  419.438   90.379  419.438   90.379   0.0000   0.0000  415.396   46.554  ?   ?       ?      ? 
1 1 1    8    1   26 o  562.698   45.583  804.226  119.818  830.228  169.449  778.225  169.447  572.585   63.322  552.811   65.587 19.77441 91.16636 
1 1 1    8    1   27 o  578.809   36.039  796.752   93.235  727.172  114.174  936.023  161.531  545.906   44.751  611.713   56.502 -65.80688 72.07777 
1 1 1    8    1   28 o  300.525   17.502  214.125   24.565  223.909   34.809  204.419   34.671  307.455   24.225  293.595   25.268 13.85965 35.00459 
1 1 1    8    1   29 o  415.870   22.838  419.830   43.343  522.489   61.377  317.711   61.216  468.538   28.030  363.201   36.064 105.3362 45.67590 
1 1 1    8    1   30 o   72.472   13.865   12.832   4.8516   10.601   6.9619   14.938   6.7647   66.889   20.409   78.055   18.774 -11.16597 27.73025 
1 1 1    8    1   31 o  446.967   22.441  487.873   45.433  516.996   58.655  444.191   71.834  465.633   26.954  428.302   35.887 37.33112 44.88168 
1 1 1    8    1   32 o  385.581   19.630  366.771   33.862  408.103   43.742  304.960   53.491  414.983   22.554  356.180   32.135 58.80228 39.25952 
1 1 1    8    1   33 o  348.403   18.305  291.970   29.085  298.812   37.540  281.696   46.003  354.462   22.661  342.344   28.753 12.11832 36.60941 
1 1 1    8    1   34 o  475.465   23.785  541.756   52.128  474.855   67.273  642.284   82.466  440.269   32.695  510.661   34.554 -70.39206 47.57034 
1 1 1    8    1   35 o   68.744   14.535   11.392   5.0347   12.144   7.1948   10.669   7.0477   70.647   20.553   66.841   20.559 3.805977 29.07049 
1 1 1    8    1   36 o  323.604   16.432  254.173   24.167  265.118   31.198  237.751   38.214  333.512   20.016  313.696   26.065 19.81601 32.86393 
1 1 1    8    1   37 o  140.128   11.569   46.384   7.5197   39.021   10.328   54.693   10.970  128.222   17.235  152.035   15.439 -23.81285 23.13873 
1 1 1    8    1   38 o  134.086   14.953   45.409   7.4116   46.723   8.4235   40.904   15.597  140.738   12.807  127.435   27.026 13.30296 29.90700 
1 1 1    8    1   39 o  143.449   10.378   47.545   6.8650   39.105   8.9662   59.502   10.672  128.415   14.940  158.483   14.409 -30.06836 20.75617 
1 1 1    8    1   40 o   49.968   14.785   0.9172   5.2707  -0.4068   6.2116   4.3216   9.9605   41.200   17.758   58.737   23.643 -17.53742 29.56946 
1 1 1    8    1   41 o  202.011   19.029   98.082   17.965   98.082   17.965   0.0000   0.0000  202.011   19.029  ?   ?       ?      ? 
1 1 1    8    1   42 o  139.695   17.506   47.393   11.072   40.656   14.358   57.277   17.391  126.615   25.150  152.774   24.357 -26.15868 35.01162 
1 1 1    8    1   43 o  210.997   17.466  114.058   15.882   97.203   27.139  122.837   19.587  196.248   29.590  225.745   18.565 -29.49751 34.93190 
1 1 1    8    1   44 f  100.224   11.591   24.779   5.1695   26.208   6.7598   22.766   8.0228  104.903   13.788   95.544   18.636 9.358536 23.18250 
1 1 1    8    1   45 o   67.043   12.070   11.201   3.8229   9.0718   5.3000   13.510   5.5194   60.566   17.646   73.520   16.472 -12.95434 24.13955 
1 1 1    8    1   46 o  135.839   10.411   43.959   6.4810   45.896   10.312   42.693   8.3323  137.976   15.991  133.702   13.335 4.273575 20.82169 
1 1 1    8    1   47 o  106.089   9.8156   26.852   4.8560   29.412   7.0038   24.482   6.7387  111.015   13.499  101.163   14.253 9.852425 19.63123 
1 1 1    8    1   48 o   39.205   11.825  -0.0402   3.9115  -3.2038   6.1254   2.1381   5.0827   36.493   16.560   41.918   16.884 -5.425812 23.64952 
1 1 1    8    1   49 o  111.284   10.891   30.513   5.5173   27.031   8.5190   33.029   7.2411  105.206   17.326  117.362   13.202 -12.15620 21.78276 
1 1 1    8    1   50 o   95.577   10.812   22.081   4.8282   21.744   6.7344   22.438   6.9259   94.847   15.193   96.308   15.388 -1.460960 21.62401 
1 1 1    8    1   51 o  135.674   9.7563   44.288   6.1694   40.485   8.6998   48.135   8.7501  129.652   14.358  141.696   13.213 -12.04356 19.51251 
1 1 1    8    1   52 o  181.733   10.863   80.879   8.9710   59.384   12.593  103.030   12.783  156.083   17.263  207.383   13.190 -51.29994 21.72499 
1 1 1    8    1   53 o   85.221   12.609   18.465   4.8622   20.523   6.9645   16.508   6.7912   90.170   17.153   80.271   18.484 9.898911 25.21738 
1 1 1    8    1   54 o  129.300   10.147   40.922   5.9479   53.132   8.5404   29.421   8.2886  148.854   12.277  109.746   16.160 39.10780 20.29448 
1 1 1    8    1   56 o   88.141   18.507   21.321   7.8825   21.793   9.4933   20.274   14.145   90.262   22.565   86.019   29.341 4.243652 37.01430 
1 1 1    8    1   57 o   91.385   15.222   24.083   7.0916   34.213   9.1660   8.9765   11.193  117.415   16.704   65.355   25.453 52.06037 30.44426 
1 1 1    8    1   58 o   57.473   16.792   4.9355   7.1586   1.1359   12.668   6.7179   8.6768   57.169   24.992   57.777   22.435 -0.6081429 33.58479 
1 1 1    8    1   59 o   53.280   14.811   5.3000   5.4367   3.3115   8.3190   6.7824   7.1827   51.175   21.218   55.385   20.669 -4.210186 29.62104 
1 1 1    8    1   60 o   81.816   10.336   12.492   5.3416  -9.1480   7.0298   42.055   8.2166   32.693   15.718  130.939   13.427 -98.24658 20.67233 
1 1 1    8    1   61 o   95.211   14.455   25.098   6.2630   27.926   8.1685   21.063   9.7560  104.636   16.704   85.786   23.596 18.84968 28.91023 
1 1 1    8    1   62 o  101.773   15.388   28.544   7.0798   31.153   10.509   26.375   9.5801  105.996   21.937   97.550   21.585 8.446671 30.77585 
1 1 1    8    1   63 o   60.474   15.165   8.0957   6.4281   16.633   8.4130  -3.8794   9.9639   76.173   22.244   44.775   20.618 31.39817 30.32990 
1 1 1    8    1   64 o   70.081   14.993   15.034   6.1440   21.518   7.8060   4.4774   9.9604   87.147   19.637   53.015   22.661 34.13223 29.98515 
1 1 1    8    1   65 o   72.266   16.531   15.704   6.2362   16.207   7.5761   14.648   10.982   74.857   20.871   69.675   25.642 5.182137 33.06217 
1 1 1    8    1   66 o   55.746   15.363   7.9211   6.3949   13.182   8.0813  -0.8914   10.459   65.132   22.178   46.360   21.265 18.77201 30.72562 
1 1 1    8    1   67 o   52.770   14.653   3.7949   6.5187   15.829   8.8985 -10.1431   9.5766   68.846   23.273   36.693   17.811 32.15273 29.30639 
1 1 1    8    1   68 o   50.652   15.450   5.6329   6.6735   6.5631   9.2376   4.6174   9.6514   51.714   21.956   49.591   21.743 2.123882 30.90052 
1 1 1    8    1   69 o   61.726   16.727   13.502   6.7434   11.774   9.1503   15.557   9.9763   58.716   22.973   64.736   24.319 -6.020100 33.45401 
1 1 1    8    2    0 o  228.918   10.559  124.359   15.819  124.359   15.819  124.359   15.819  228.918   14.932  228.918   14.932 -0.000000 0.000000 
1 1 1    8    2    1 o  386.542   18.614  352.355   33.069  339.111   42.692  372.221   52.284  378.081   24.161  395.003   28.322 -16.92175 37.22794 
1 1 1    8    2    2 o  576.149   31.818  816.841   85.659  833.687  121.142  799.996  121.138  582.405   44.507  569.893   45.483 12.51135 63.63593 
1 1 1    8    2    3 o  541.401   25.899  697.529   64.594  644.527   83.391  777.029  102.131  517.151   34.503  565.651   38.634 -48.49994 51.79789 
1 1 1    8    2    4 o  665.934   29.328  1084.51   91.091  1160.62  128.829  1008.42  128.816  690.385   39.928  641.483   42.968 48.90247 58.65557 
1 1 1    8    2    5 o  415.060   19.661  406.188   36.114  424.805   62.552  396.879   44.230  420.849   31.803  409.271   23.124 11.57755 39.32123 
1 1 1    8    2    6 o  551.763   24.632  733.408   63.497  754.869   89.799  711.948   89.799  560.085   34.306  543.441   35.357 16.64478 49.26499 
1 1 1    8    2    7 o  636.745   26.220  979.005   77.962  1023.51  110.260  934.503  110.252  651.700   36.201  621.790   37.940 29.90979 52.44036 
1 1 1    8    2    8 o  542.424   26.994  708.556   67.037  705.675   86.537  712.879  106.007  542.721   34.118  542.128   41.840 0.5928955 53.98733 
1 1 1    8    2    9 o  352.071   17.962  293.680   29.485  270.507   41.675  316.905   41.721  337.974   26.384  366.168   24.380 -28.19382 35.92391 
1 1 1    8    2   10 o  480.338   22.866  553.198   50.046  569.963   64.607  528.046   79.135  490.531   28.182  470.145   36.016 20.38620 45.73145 
1 1 1    8    2   11 o  720.567   34.420  1245.71  114.035  1189.61  147.210  1329.90  180.319  702.454   44.841  738.679   52.233 -36.22552 68.84047 
1 1 1    8    2   12 o  389.818   20.228  359.419   36.844  367.843   52.088  350.984   52.124  394.446   28.256  385.189   28.955 9.256989 40.45693 
1 1 1    8    2   13 o  401.222   20.422  383.591   37.342  395.091   48.200  366.325   59.057  409.361   25.194  393.082   32.147 16.27872 40.84329 
1 1 1    8    2   14 o  726.274   38.184  1284.74  129.104  1159.12  182.572  1410.37  182.588  689.264   56.677  763.285   51.185 -74.02106 76.36867 
1 1 1    8    2   15 f  276.202   16.763  164.118   20.682  247.194   35.896  122.833   25.305  324.007   23.705  228.398   23.706 95.60847 33.52523 
1 1 1    8    2   16 o  940.121   51.024  2230.42  220.528  1798.25  311.850  2662.72  311.897  841.749   79.272  1038.49   64.264 -196.7427 102.0485 
1 1 1    8    2   17 o  613.502   32.882  909.145   93.684  794.681  132.475  1023.66  132.503  573.574   49.420  653.431   43.389 -79.85632 65.76456 
1 1 1    8    2   18 o  633.476   34.016  973.646   99.706  1126.77  141.030  820.633  140.980  685.175   44.042  581.777   51.851 103.3975 68.03115 
1 1 1    8    2   19 o  578.864   31.063  806.657   83.649  719.871  118.286  893.476  118.308  546.779   46.289  610.948   41.435 -64.16876 62.12530 
1 1 1    8    2   20 o  449.796   24.260  481.307   50.912  449.557   72.008  513.044   71.993  434.694   35.445  464.897   33.135 -30.20337 48.52098 
1 1 1    8    2   21 o  521.480   27.401  649.753   66.691  687.574   94.337  611.965   94.295  536.989   37.590  505.970   39.877 31.01849 54.80123 
1 1 1    8    2   22 o  548.243   46.779  876.707   95.086  478.736  164.564  1076.16  116.501  424.562   85.887  671.924   37.099 -247.3621 93.55740 
1 1 1    8    2   23 o  617.525   39.934  914.367  109.646  1011.07  189.986  866.072  134.263  637.259   63.791  597.792   48.058 39.46704 79.86784 
1 1 1    8    2   24 o  437.042   49.033  467.070  100.151  467.070  100.151   0.0000   0.0000  437.042   49.033  ?   ?       ?      ? 
1 1 1    8    2   25 o  498.238   56.297  617.991  131.089  617.991  131.089   0.0000   0.0000  498.238   56.297  ?   ?       ?      ? 
1 1 1    8    2   26 o  131.055   15.899   46.808   8.4218   28.238   14.446   56.368   10.365  107.129   28.395  154.980   14.311 -47.85165 31.79776 
1 1 1    8    2   27 o  155.559   11.542   57.057   8.3654   60.488   11.638   53.389   12.033  160.456   15.519  150.661   17.090 9.795670 23.08468 
1 1 1    8    2   28 o  626.339   32.676  968.552   93.246  993.023  120.375  931.837  147.445  639.887   40.252  612.792   51.484 27.09497 65.35191 
1 1 1    8    2   29 o  475.755   29.928  548.832   57.452  546.298   66.337  556.439  114.923  478.523   29.663  472.987   51.990 5.536285 59.85640 
1 1 1    8    2   30 o  235.863   14.326  131.539   15.764  140.911   22.338  122.241   22.249  244.327   19.563  227.400   20.935 16.92711 28.65248 
1 1 1    8    2   31 o  110.424   11.331   30.179   5.4228   33.657   6.9813   24.887   8.6103  119.752   12.474  101.096   18.919 18.65611 22.66138 
1 1 1    8    2   32 o  249.532   13.859  147.522   15.807  149.260   20.409  144.916   24.991  251.665   17.352  247.400   21.614 4.265411 27.71758 
1 1 1    8    2   33 f  459.643   28.678  511.444   53.605  499.129   61.897  548.390  107.213  455.166   29.097  464.120   49.428 -8.954224 57.35664 
1 1 1    8    2   34 o  216.477   14.605  108.363   13.071  104.734   15.162  118.863   25.792  210.557   15.408  222.397   24.815 -11.84026 29.20929 
1 1 1    8    2   35 o  239.204   14.137  136.574   15.743  150.722   22.331  122.592   22.199  251.772   18.978  226.636   20.958 25.13528 28.27418 
1 1 1    8    2   36 o  216.596   12.605  113.118   12.379  119.549   15.978  103.462   19.578  224.882   15.203  208.309   20.110 16.57285 25.20973 
1 1 1    8    2   37 o  393.210   19.854  375.633   35.760  372.173   46.162  380.824   56.547  392.513   25.165  393.908   30.716 -1.395355 39.70840 
1 1 1    8    2   38 o  207.634   12.336  104.270   11.615  110.778   15.023   94.599   18.313  216.326   14.859  198.941   19.697 17.38541 24.67284 
1 1 1    8    2   39 o  284.612   14.709  191.826   19.276  178.220   24.869  212.301   30.508  272.655   19.516  296.568   22.011 -23.91254 29.41719 
1 1 1    8    2   40 o   97.772   15.999   23.745   6.6803   23.434   7.9397   24.499   12.361   97.463   18.097   98.080   26.388 -0.6164398 31.99734 
1 1 1    8    2   41 o  278.797   23.895  189.850   31.134  189.850   31.134   0.0000   0.0000  278.797   23.895  ?   ?       ?      ? 
1 1 1    8    2   42 o   49.765   20.550   2.0674   7.7577   2.0674   7.7577   0.0000   0.0000   49.765   20.550  ?   ?       ?      ? 
1 1 1    8    2   43 o   42.436   12.693   0.1771   4.4794  -5.0839   7.4872   3.1101   5.5903   39.115   17.960   45.756   17.941 -6.641212 25.38623 
1 1 1    8    2   44 o   56.131   13.497   6.9366   4.1877   8.6509   6.5544   5.7541   5.4436   60.635   19.963   51.627   18.172 9.008644 26.99492 
1 1 1    8    2   45 o  135.607   9.6496   43.751   6.0923   38.725   8.3730   49.406   8.8812  127.267   14.077  143.947   13.202 -16.68000 19.29912 
1 1 1    8    2   46 o  143.473   11.096   49.369   7.2696   50.472   11.630   48.661   9.3132  144.345   17.240  142.600   13.974 1.745178 22.19255 
1 1 1    8    2   47 o  107.101   9.6376   27.439   4.8127   28.364   6.6591   26.428   6.9634  109.087   13.062  105.114   14.175 3.972946 19.27511 
1 1 1    8    2   48 o  147.077   11.517   53.824   7.5995   59.058   9.8100   45.968   12.017  157.103   13.361  137.051   18.762 20.05203 23.03363 
1 1 1    8    2   49 o   80.217   11.925   16.723   4.4353   9.7501   6.4760   22.884   6.0871   62.781   19.773   97.653   13.338 -34.87155 23.85091 
1 1 1    8    2   50 o   61.386   13.134   9.3290   4.0791   10.059   6.0420   8.7179   5.5295   63.388   18.940   59.384   18.201 4.004143 26.26772 
1 1 1    8    2   51 o  139.419   11.368   48.514   7.1424   40.555   11.075   54.182   9.3457  128.531   18.437  150.307   13.304 -21.77596 22.73581 
1 1 1    8    2   52 o  179.964   11.164   78.575   9.2337   77.479   14.352   79.349   12.062  178.294   17.224  181.633   14.209 -3.338898 22.32836 
1 1 1    8    2   53 o  119.592   10.805   34.922   5.9973   30.347   8.4771   39.507   8.4859  111.399   16.282  127.785   14.209 -16.38520 21.61083 
1 1 1    8    2   54 o  197.932   13.524   97.509   12.471  105.188   17.561   89.696   17.714  206.360   18.209  189.505   20.001 16.85464 27.04811 
1 1 1    8    2   55 o   66.109   18.387   8.4720   8.3077   8.4083   11.287   8.5473   12.273   65.322   25.526   66.896   26.471 -1.573586 36.77311 
1 1 1    8    2   57 f   88.363   16.408   22.480   6.9716   26.497   8.5955   14.756   11.919  101.242   18.860   75.483   26.854 25.75913 32.81570 
1 1 1    8    2   58 o  155.442   20.549   62.244   14.928   0.0000   0.0000   62.244   14.928  ?   ?   155.442   20.549      ?      ? 
1 1 1    8    2   59 o   63.287   15.182   8.5355   5.9718   0.9139   8.1965   17.159   8.7184   47.318   20.397   79.256   22.493 -31.93718 30.36403 
1 1 1    8    2   60 o   78.133   15.745   16.564   5.9954   14.891   7.9630   18.754   9.1100   73.979   21.651   82.287   22.867 -8.308380 31.49094 
1 1 1    8    2   61 o   58.312   15.495   7.7909   5.9312   11.272   8.1196   3.8082   8.6851   64.833   22.229   51.790   21.594 13.04287 30.99069 
1 1 1    8    2   62 o   88.843   15.600   22.079   6.4442   20.888   8.8749   23.407   9.3723   86.333   21.948   91.353   22.176 -5.019531 31.20056 
1 1 1    8    2   63 o  108.398   13.282   32.170   6.2882   17.316   8.6480   48.833   9.1598   77.410   22.537  139.387   14.061 -61.97642 26.56396 
1 1 1    8    2   64 o   47.108   13.671   3.3397   4.7947   0.9981   6.2195   6.7701   7.5278   40.857   17.689   53.358   20.848 -12.50108 27.34112 
1 1 1    8    2   65 o   66.606   15.163   10.661   5.5705   4.7544   6.9488   21.284   9.3187   49.010   19.741   84.202   23.020 -35.19213 30.32567 
1 1 1    8    2   66 o   66.839   15.102   14.277   5.4708   16.230   6.6998   10.369   9.4769   74.262   19.173   59.415   23.340 14.84739 30.20491 
1 1 1    8    2   67 o   77.328   15.509   19.894   5.9862   22.191   7.5865   16.105   9.7445   86.293   19.296   68.364   24.286 17.92902 31.01831 
1 1 1    8    2   68 o   50.835   13.681   6.7163   5.1809   11.539   6.4061  -2.4033   8.8087   60.943   19.717   40.728   18.972 20.21500 27.36206 
1 1 1    8    2   69 o   53.312   15.454   7.7686   6.6991  -0.0010   10.115   13.840   8.9412   44.323   20.538   62.301   23.098 -17.97765 30.90825 
1 1 1    8    3    0 o  380.302   17.244  344.714   42.935  344.714   42.935  344.714   42.935  380.302   24.387  380.302   24.387 -0.000000 0.000000 
1 1 1    8    3    1 o  353.883   18.084  299.298   29.208  305.658   37.714  289.767   46.170  359.291   22.460  348.475   28.349 10.81635 36.16818 
1 1 1    8    3    2 o  562.095   30.350  774.228   79.671  806.392  112.691  742.086  112.653  574.330   41.984  549.860   43.838 24.47015 60.69939 
1 1 1    8    3    3 o  351.426   15.925  292.477   26.140  281.430   36.967  303.527   36.969  344.699   22.947  358.153   22.087 -13.45383 31.84934 
1 1 1    8    3    4 o  357.487   16.140  302.879   26.922  322.413   38.075  283.349   38.072  369.177   22.068  345.797   23.558 23.38058 32.27967 
1 1 1    8    3    5 o  208.611   9.7925  102.178   9.5463  103.787   13.504  100.571   13.497  210.260   13.742  206.962   13.954 3.298187 19.58505 
1 1 1    8    3    6 o  418.442   20.211  421.432   38.458  439.080   49.653  394.970   60.801  430.490   24.680  406.394   32.012 24.09586 40.42133 
1 1 1    8    3    7 o  545.995   29.616  722.444   75.570  717.904  106.874  726.984  106.870  544.216   42.020  547.775   41.746 -3.559021 59.23181 
1 1 1    8    3    8 o  299.998   27.944  236.390   33.824  266.792   41.417  175.511   58.609  335.685   26.400  264.311   49.259 71.37430 55.88715 
1 1 1    8    3    9 o  666.996   35.544  1085.45  110.658  1145.46  156.485  1025.42  156.504  686.252   48.792  647.740   51.699 38.51184 71.08735 
1 1 1    8    3   10 o  533.225   38.906  708.057   90.204  731.628  110.460  660.872  156.286  551.581   42.850  514.870   64.950 36.71118 77.81187 
1 1 1    8    3   11 o  240.727   12.606  124.699   12.676  112.463   14.612  161.931   25.487  219.050   14.273  262.405   20.783 -43.35516 25.21224 
1 1 1    8    3   12 o  552.979   39.540  789.824   84.944  832.290   98.080  662.367  169.917  591.527   35.478  514.430   70.675 77.09668 79.08017 
1 1 1    8    3   13 o  581.387   38.431  836.552   89.041  851.384  102.807  792.031  178.122  598.055   36.782  564.719   67.490 33.33612 76.86288 
1 1 1    8    3   14 o  174.286   10.165   70.959   8.1189   72.297   12.863   70.074   10.468  175.601   15.673  172.971   12.949 2.629486 20.33040 
1 1 1    8    3   15 o  245.482   18.287  146.615   19.423  129.582   33.616  155.150   23.798  233.979   30.742  256.984   19.815 -23.00519 36.57415 
1 1 1    8    3   16 o  696.427   37.887  1180.08  122.949  1079.32  173.868  1280.86  173.883  665.466   55.905  727.387   51.150 -61.92120 75.77431 
1 1 1    8    3   17 o  613.330   32.827  906.464   93.897  840.318  132.785  972.618  132.794  590.253   48.136  636.407   44.648 -46.15399 65.65440 
1 1 1    8    3   18 o  558.709   29.098  747.421   75.880  790.409  107.320  704.448  107.302  575.168   39.925  542.250   42.341 32.91858 58.19595 
1 1 1    8    3   19 o  583.061   31.642  817.302   86.206  834.646  121.926  799.964  121.901  589.423   44.262  576.699   45.229 12.72406 63.28300 
1 1 1    8    3   20 o  861.459   46.212  1841.69  185.983  1787.15  263.021  1896.24  263.017  847.911   66.374  875.008   64.317 -27.09692 92.42428 
1 1 1    8    3   21 o  872.903   45.739  1937.05  179.060  2117.85  231.165  1665.85  283.118  933.341   52.995  812.465   74.562 120.8757 91.47724 
1 1 1    8    3   22 o  273.221   15.830  175.827   20.187  164.858   28.433  186.979   28.668  264.567   22.995  281.874   21.762 -17.30652 31.65999 
1 1 1    8    3   23 o  182.901   19.482   81.823   15.886   65.312   23.012   96.854   21.957  163.166   31.317  202.636   23.185 -39.46936 38.96495 
1 1 1    8    3   24 o  331.840   21.018  259.602   32.596  259.602   32.596   0.0000   0.0000  331.840   21.018  ?   ?       ?      ? 
1 1 1    8    3   25 f  290.870   23.676  199.993   32.184  199.993   32.184   0.0000   0.0000  290.870   23.676  ?   ?       ?      ? 
1 1 1    8    3   26 o  241.097   16.615  130.324   18.007  163.888   31.072  113.352   22.095  263.038   25.276  219.157   21.572 43.88054 33.22985 
1 1 1    8    3   27 o  363.662   22.738  295.418   37.138  397.837   64.388  244.360   45.462  407.315   33.825  320.009   30.398 87.30643 45.47670 
1 1 1    8    3   28 o  456.088   24.981  503.605   52.632  589.790   74.492  417.691   74.375  496.448   32.106  415.728   38.280 80.71921 49.96172 
1 1 1    8    3   29 o  299.943   17.105  213.253   23.975  209.849   33.921  216.650   33.891  297.515   24.396  302.371   23.983 -4.855164 34.21021 
1 1 1    8    3   30 o  408.893   20.318  402.513   37.867  414.089   48.899  385.172   59.850  417.374   25.069  400.412   31.983 16.96249 40.63676 
1 1 1    8    3   31 o  396.075   20.913  391.537   36.767  445.343   47.493  311.054   58.085  433.249   23.456  358.901   34.630 74.34784 41.82579 
1 1 1    8    3   32 o  453.633   21.022  481.759   43.958  424.314   56.729  568.085   69.542  420.942   28.836  486.324   30.597 -65.38177 42.04395 
1 1 1    8    3   33 o   51.249   12.385   5.7403   3.6337   7.3305   4.6337   3.2007   5.8558   55.412   16.593   47.087   18.390 8.324604 24.76941 
1 1 1    8    3   34 o  349.722   20.051  296.883   32.713  317.342   46.323  276.529   46.203  362.190   27.366  337.254   29.314 24.93613 40.10258 
1 1 1    8    3   35 o  266.016   14.229  167.701   17.377  163.703   22.443  173.686   27.459  262.531   18.292  269.502   21.801 -6.970734 28.45860 
1 1 1    8    3   36 o  356.857   24.453  316.556   35.028  317.655   40.475  313.279   69.908  363.479   23.827  350.235   42.710 13.24384 48.90623 
1 1 1    8    3   37 o  190.038   11.629   87.201   10.030   93.413   13.028   78.159   15.718  198.879   14.017  181.197   18.561 17.68159 23.25881 
1 1 1    8    3   38 o   36.977   11.021  -0.9643   3.4317  -4.2601   4.6380   3.0231   5.1015   29.555   13.767   44.399   17.213 -14.84397 22.04152 
1 1 1    8    3   39 o  118.340   15.429   34.490   7.4877   34.258   14.109   34.581   8.8344  116.073   26.582  120.606   15.673 -4.533157 30.85853 
1 1 1    8    3   40 o  186.146   17.851   82.981   15.529   82.981   15.529   0.0000   0.0000  186.146   17.851  ?   ?       ?      ? 
1 1 1    8    3   41 o  206.703   27.656  105.963   26.716  105.963   26.716   0.0000   0.0000  206.703   27.656  ?   ?       ?      ? 
1 1 1    8    3   42 o  150.021   13.176   51.599   8.8752   45.499   10.886   63.693   15.328  137.824   16.900  162.218   20.218 -24.39351 26.35125 
1 1 1    8    3   43 o  177.400   17.471   77.959   14.377   67.034   20.192   89.192   20.475  164.107   26.327  190.694   22.974 -26.58716 34.94200 
1 1 1    8    3   44 o  125.853   14.368   39.072   7.8743   38.886   9.8183   39.409   13.183  127.175   16.519  124.531   23.513 2.643837 28.73576 
1 1 1    8    3   45 o   52.848   13.258   5.9767   4.1662   4.1101   6.1681   7.5428   5.6499   49.180   18.966   56.516   18.531 -7.336262 26.51587 
1 1 1    8    3   46 o  147.747   10.926   54.333   7.2528   62.707   9.5780   43.077   11.104  162.257   12.631  133.238   17.833 29.01891 21.85288 
1 1 1    8    3   47 o  100.496   10.489   24.257   4.9117   22.099   6.9315   26.433   6.9610   95.888   15.468  105.104   14.171 -9.216515 20.97787 
1 1 1    8    3   48 o   92.390   11.637   21.369   4.8220   26.607   6.7906   16.041   6.8483  105.330   13.795   79.450   18.746 25.88015 23.27482 
1 1 1    8    3   49 o   37.080   11.142  -3.7093   4.0516 -13.2314   6.0062   4.2419   5.4885   26.551   13.131   47.608   18.004 -21.05753 22.28406 
1 1 1    8    3   50 o  114.963   12.069   31.828   6.0116   48.334   9.2735   19.863   7.8953  141.782   13.995   88.145   19.666 53.63709 24.13706 
1 1 1    8    3   51 o  176.735   11.952   77.868   9.5347   67.584   14.929   84.952   12.391  165.555   19.295  187.915   14.109 -22.36006 23.90343 
1 1 1    8    3   52 o   80.788   13.350   16.444   4.9055   18.103   7.5668   15.241   6.4427   84.117   19.610   77.460   18.120 6.656189 26.69953 
1 1 1    8    3   53 o  144.554   10.332   51.242   6.8877   43.004   9.8990   58.974   9.5898  132.648   15.968  156.459   13.115 -23.81149 20.66331 
1 1 1    8    3   54 f  145.262   10.934   51.345   7.2948   51.460   9.4973   51.181   11.392  146.001   13.919  144.524   16.867 1.477127 21.86805 
1 1 1    8    3   55 o  171.006   20.876   80.394   16.349   80.852   23.405   79.958   22.847  169.932   30.596  172.079   28.409 -2.147217 41.75117 
1 1 1    8    3   56 o  193.342   31.033  105.194   28.041  105.194   28.041   0.0000   0.0000  193.342   31.033  ?   ?       ?      ? 
1 1 1    8    3   57 o   51.634   14.557   4.2971   5.3234   2.7044   7.5839   5.8440   7.4740   48.930   20.271   54.338   20.899 -5.408104 29.11481 
1 1 1    8    3   58 o  149.453   13.794   49.816   8.8794   78.391   17.157   39.362   10.377  173.877   21.113  125.030   17.759 48.84703 27.58899 
1 1 1    8    3   59 o   89.998   15.767   22.569   6.7086   27.139   9.1102   17.156   9.9156  101.261   19.960   78.736   24.413 22.52515 31.53437 
1 1 1    8    3   60 o  151.558   13.272   58.949   9.3912   55.583   13.015   62.606   13.564  146.914   18.956  156.203   18.581 -9.288696 26.54366 
1 1 1    8    3   61 f   34.895   11.629  -6.4091   4.9768  -3.2635   6.4084 -11.1893   7.8998   36.283   16.644   33.506   16.244 2.776814 23.25706 
1 1 1    8    3   62 o  101.981   17.552   30.206   7.8032   30.351   9.2833   29.857   14.405  106.371   19.388   97.591   29.263 8.780319 35.10322 
1 1 1    8    3   63 o   64.137   15.446   10.083   5.5658   5.8998   7.0131   17.201   9.1481   51.836   20.158   76.439   23.408 -24.60306 30.89165 
1 1 1    8    3   64 o   43.113   13.411   0.2677   5.1080  -1.3755   6.5266   2.8655   8.2061   38.262   17.253   47.964   20.537 -9.702175 26.82254 
1 1 1    8    3   65 o   72.338   16.578   15.408   6.8123   22.565   9.7865   8.6805   9.4885   85.969   23.628   58.707   23.261 27.26149 33.15620 
1 1 1    8    3   66 o   38.348   12.356  -1.9387   5.0373   1.5257   6.2930  -8.1176   8.4042   40.970   17.766   35.725   17.179 5.244354 24.71299 
1 1 1    8    3   67 o   63.557   14.946   13.048   5.2191   14.160   6.3572   10.748   9.1407   68.399   19.136   58.715   22.964 9.684235 29.89173 
1 1 1    8    3   68 o   61.148   16.167   12.493   6.0729   13.371   6.9094   9.5128   12.732   64.914   20.421   57.381   25.071 7.533794 32.33482 
1 1 1    8    3   69 o   35.711   12.142  -5.9625   5.8053  -3.7531   7.1523 -10.2288   9.9384   35.166   16.606   36.257   17.720 -1.090893 24.28426 
1 1 1    8    4    0 o  121.912   7.2180   35.497   5.7222   35.497   5.7222   35.497   5.7222  121.912   10.208  121.912   10.208 -0.000000 0.000000 
1 1 1    8    4    1 o  390.144   16.171  359.219   29.214  367.037   44.633  353.359   38.642  393.542   24.268  386.746   21.379 6.796722 32.34169 
1 1 1    8    4    2 o  452.744   17.232  489.755   35.976  580.422   50.890  399.173   50.866  495.573   21.973  409.915   26.552 85.65744 34.46429 
1 1 1    8    4    3 o  342.184   15.922  276.686   23.992  277.030   41.563  276.513   29.381  341.686   26.028  342.682   18.346 -0.9956665 31.84379 
1 1 1    8    4    4 f  394.166   16.844  368.696   30.877  327.044   43.661  410.371   43.673  371.549   25.144  416.782   22.421 -45.23264 33.68882 
1 1 1    8    4    5 o  522.311   22.370  650.695   54.606  647.353   77.229  654.035   77.220  520.942   31.721  523.680   31.552 -2.738342 44.74077 
1 1 1    8    4    6 o  432.177   23.851  447.629   47.864  505.209   67.718  390.146   67.661  460.657   31.455  403.698   35.862 56.95981 47.70215 
1 1 1    8    4    7 o  538.539   36.727  710.223   86.870  711.375  106.386  707.920  150.485  543.449   41.887  533.628   60.341 9.820801 73.45448 
1 1 1    8    4    8 o  284.954   18.260  186.659   23.179  208.717   40.192  175.667   28.373  296.830   28.973  273.079   22.232 23.75125 36.51943 
1 1 1    8    4    9 o  362.546   21.529  300.199   32.078  335.653   64.212  288.409   37.030  375.152   36.624  349.940   22.642 25.21240 43.05798 
1 1 1    8    4   10 o  349.987   21.108  282.104   30.230  306.427   60.529  274.021   34.894  358.725   36.105  341.250   21.879 17.47479 42.21663 
1 1 1    8    4   11 o  211.909   15.061  106.993   12.805  102.879   25.653  108.358   14.778  208.808   26.287  215.011   14.706 -6.203232 30.12140 
1 1 1    8    4   12 o  284.140   19.514  188.669   24.529  196.747   42.526  184.641   30.027  288.195   31.573  280.085   22.940 8.110474 39.02701 
1 1 1    8    4   13 o  522.772   35.322  661.987   81.088  655.089  140.457  665.435   99.308  517.709   58.052  527.836   40.257 -10.12708 70.64445 
1 1 1    8    4   14 o  151.569   8.1740   54.019   5.6513   54.911   7.2745   52.661   8.9748  153.186   10.161  149.952   12.807 3.233521 16.34795 
1 1 1    8    4   15 f  201.795   16.704  102.466   14.232  114.121   17.433   79.175   24.644  220.559   16.913  183.031   28.810 37.52809 33.40719 
1 1 1    8    4   16 o  311.959   21.475  236.332   26.675  242.218   30.790  218.620   53.409  321.021   20.523  302.898   37.729 18.12268 42.94961 
1 1 1    8    4   17 o  564.949   26.769  761.412   69.189  763.776   89.311  757.863  109.419  567.206   33.692  562.692   41.608 4.514038 53.53848 
1 1 1    8    4   18 o  297.014   21.416  215.748   27.490  189.649   47.565  228.838   33.686  282.278   36.055  311.750   23.120 -29.47202 42.83132 
1 1 1    8    4   19 o  244.974   13.176  143.483   14.622  152.773   18.881  129.564   23.112  255.230   15.829  234.718   21.069 20.51147 26.35279 
1 1 1    8    4   20 o  338.797   15.911  269.425   24.698  266.402   31.845  273.988   39.126  336.653   20.241  340.941   24.555 -4.287659 31.82184 
1 1 1    8    4   21 o  285.516   16.560  192.036   22.095  193.887   31.137  190.159   31.359  286.921   23.220  284.111   23.617 2.809967 33.12016 
1 1 1    8    4   22 f  500.018   31.352  583.176   69.967  540.083   85.663  669.532  121.267  475.055   38.584  524.981   49.426 -49.92535 62.70315 
1 1 1    8    4   23 o  253.366   17.803  154.120   19.672  158.490   24.060  145.306   34.168  259.448   19.843  247.285   29.565 12.16226 35.60678 
1 1 1    8    4   24 o   85.908   13.438   17.310   5.3952   17.310   5.3952   0.0000   0.0000   85.908   13.438  ?   ?       ?      ? 
1 1 1    8    4   25 o  251.018   19.788  156.285   21.230  168.161   25.923  132.097   36.995  267.055   20.770  234.980   33.687 32.07416 39.57551 
1 1 1    8    4   26 o  330.834   18.119  260.237   27.879  230.801   39.378  289.824   39.478  311.753   27.027  349.915   24.140 -38.16223 36.23829 
1 1 1    8    4   27 o  475.032   30.020  524.278   63.901  639.707  110.740  466.659   78.240  510.555   46.411  439.509   38.091 71.04541 60.04069 
1 1 1    8    4   28 o  329.682   18.262  258.039   28.129  250.904   39.803  265.158   39.760  325.053   26.201  334.310   25.448 -9.257141 36.52490 
1 1 1    8    4   29 o  388.104   21.541  360.754   39.003  385.287   55.207  336.307   55.109  401.598   29.414  374.610   31.478 26.98782 43.08184 
1 1 1    8    4   30 o  333.287   16.888  262.267   25.833  256.166   33.348  271.421   40.850  328.927   21.693  337.647   25.887 -8.719116 33.77524 
1 1 1    8    4   31 o  401.827   21.379  399.562   38.437  443.706   49.635  333.435   60.750  432.155   24.576  371.499   34.990 60.65524 42.75845 
1 1 1    8    4   32 o  184.444   10.684   79.733   9.0603   78.126   11.746   82.094   14.237  182.275   13.789  186.612   16.324 -4.336945 21.36804 
1 1 1    8    4   33 o  223.324   12.885  120.198   13.056  127.587   16.893  109.238   20.573  232.427   15.552  214.221   20.549 18.20563 25.77085 
1 1 1    8    4   34 o  162.338   11.002   64.638   7.9895   73.151   10.383   52.279   12.510  176.258   12.604  148.417   18.036 27.84120 22.00350 
1 1 1    8    4   35 o  351.613   18.323  300.807   29.350  309.740   37.898  287.422   46.393  359.562   22.553  343.664   28.885 15.89752 36.64676 
1 1 1    8    4   36 o  134.768   10.390   43.928   6.3445   48.075   8.2826   38.038   9.8694  142.863   12.405  126.672   16.671 16.19122 20.78025 
1 1 1    8    4   37 o  212.057   13.336  107.205   13.197  114.798   18.805   99.837   18.525  219.573   18.325  204.540   19.379 15.03214 26.67148 
1 1 1    8    4   38 o   62.795   12.431   9.1884   4.1976   15.256   5.9307   3.0973   5.9419   78.671   16.650   46.918   18.465 31.75280 24.86296 
1 1 1    8    4   39 o  360.380   25.711  327.454   40.937  351.775   71.123  315.406   50.060  365.155   41.676  355.604   30.122 9.550995 51.42226 
1 1 1    8    4   40 o  178.245   25.948   78.156   21.615   78.156   21.615   0.0000   0.0000  178.245   25.948  ?   ?       ?      ? 
1 1 1    8    4   41 o  234.506   29.554  137.736   32.390  137.736   32.390   0.0000   0.0000  234.506   29.554  ?   ?       ?      ? 
1 1 1    8    4   42 o  215.484   17.288  114.613   16.368  115.278   20.082  113.298   28.249  218.348   19.680  212.620   28.429 5.728378 34.57608 
1 1 1    8    4   43 o  134.621   16.107   49.072   8.8664   35.003   15.256   56.247   10.895  115.801   28.405  153.441   15.193 -37.63934 32.21330 
1 1 1    8    4   44 o  114.144   12.192   32.153   6.2330   38.736   8.8221   25.592   8.8075  127.217   14.838  101.072   19.351 26.14518 24.38478 
1 1 1    8    4   45 o  124.578   11.815   38.009   6.7701   31.373   9.7616   44.159   9.3976  113.518   18.400  135.638   14.825 -22.11945 23.62906 
1 1 1    8    4   46 o  211.020   14.073  109.655   13.725   92.089   19.479  126.973   19.340  193.299   21.562  228.740   18.092 -35.44089 28.14699 
1 1 1    8    4   47 f  127.881   11.832   40.094   6.9250   48.679   9.7346   31.297   9.8534  142.448   14.622  113.313   18.607 29.13489 23.66470 
1 1 1    8    4   48 o   48.607   13.581   1.2154   4.6847  -2.8348   5.8500   8.4561   7.8218   35.940   16.258   61.274   21.760 -25.33439 27.16277 
1 1 1    8    4   49 o   48.498   12.940   4.1579   3.9962   2.6746   5.2600   6.1829   6.1458   43.480   17.290   53.515   19.258 -10.03460 25.88053 
1 1 1    8    4   50 o   99.539   10.513   23.938   4.8781   25.957   6.9167   21.941   6.8807  103.847   14.252   95.232   15.460 8.615456 21.02662 
1 1 1    8    4   51 o  183.600   10.059   81.486   8.5813   90.114   12.034   72.558   12.241  193.877   13.281  173.324   15.111 20.55258 20.11788 
1 1 1    8    4   52 o  143.842   12.083   52.148   7.7486   57.642   9.9600   43.725   12.333  154.836   13.764  132.847   19.864 21.98860 24.16633 
1 1 1    8    4   53 o  113.223   14.882   31.162   7.8749   31.162   7.8749   0.0000   0.0000  113.223   14.882  ?   ?       ?      ? 
1 1 1    8    4   54 o  119.603   16.519   42.252   7.7233   47.629   8.9831   27.012   15.123  140.520   13.679   98.686   30.073 41.83441 33.03766 
1 1 1    8    4   55 o   93.935   17.580   23.813   7.6880   23.440   9.7596   24.424   12.480   93.851   22.535   94.018   26.989 -0.1673965 35.16000 
1 1 1    8    4   56 f   94.456   29.039   25.363   14.063   0.0000   0.0000   25.363   14.063  ?   ?    94.456   29.039      ?      ? 
1 1 1    8    4   57 f   58.870   17.125   5.2644   7.5210   7.1115   9.4427   2.0592   12.439   59.781   23.351   57.958   25.055 1.823185 34.24953 
1 1 1    8    4   58 o  143.005   12.382   51.373   8.1499   50.987   10.648   51.920   12.664  143.248   15.905  142.761   18.981 0.4867401 24.76364 
1 1 1    8    4   59 o   74.168   15.612   14.977   5.8586   16.773   8.0535   12.959   8.5383   78.642   21.359   69.695   22.777 8.947647 31.22492 
1 1 1    8    4   60 o   39.940   12.561  -2.2548   4.9376   1.8932   6.6054  -7.5076   7.4332   44.580   18.726   35.300   16.746 9.280529 25.12157 
1 1 1    8    4   61 o   81.637   15.785   18.839   6.2085   17.240   8.6933   20.503   8.8696   77.975   22.566   85.298   22.078 -7.323196 31.57005 
1 1 1    8    4   62 o  134.401   16.945   48.970   9.9800   58.021   17.044   44.247   12.311  140.085   27.012  128.718   20.466 11.36673 33.88977 
1 1 1    8    4   63 o   65.445   15.220   11.344   6.2854   1.1978   9.3548   19.694   8.4863   48.460   21.323   82.430   21.723 -33.96992 30.43936 
1 1 1    8    4   64 o   49.275   14.062   4.7612   5.0765   6.6773   6.5485   1.8754   8.0363   52.202   19.684   46.349   20.087 5.852337 28.12436 
1 1 1    8    4   65 o   62.303   14.575   9.8487   4.9854   5.6850   6.2607   17.064   8.2416   49.379   19.090   75.228   22.030 -25.84904 29.15020 
1 1 1    8    4   66 o   98.362   14.429   28.407   6.3411   25.644   8.2431   32.414   9.9247   93.370   19.519  103.354   21.257 -9.983719 28.85867 
1 1 1    8    4   67 o   71.329   15.290   16.362   5.4837   15.600   7.1589   17.446   8.5305   70.402   20.508   72.255   22.684 -1.853676 30.57955 
1 1 1    8    4   68 o   51.022   15.733   4.2174   7.7434  -7.4548   12.721   11.089   9.7600   43.489   20.968   58.556   23.463 -15.06679 31.46651 
1 1 1    8    4   69 o   68.531   24.709   18.590   10.123   0.0000   0.0000   18.590   10.123  ?   ?    68.531   24.709      ?      ? 
1 1 1    8    5    0 o  192.238   8.3336   87.439   10.497   87.439   10.497   87.439   10.497  192.238   11.785  192.238   11.785 -0.000000 0.000000 
1 1 1    8    5    1 o  262.939   11.050  164.311   13.338  175.046   17.653  150.033   20.360  273.201   13.826  252.676   17.241 20.52469 22.10014 
1 1 1    8    5    2 o  513.952   19.007  625.534   45.655  626.529   64.568  624.538   64.563  514.366   26.860  513.537   26.901 0.8286743 38.01458 
1 1 1    8    5    3 o  367.343   13.999  317.571   24.029  323.678   33.985  311.465   33.980  370.900   19.606  363.786   19.986 7.113556 27.99728 
1 1 1    8    5    4 o  428.711   15.372  433.028   30.797  427.357   43.553  438.699   43.553  425.881   21.882  431.542   21.595 -5.660980 30.74347 
1 1 1    8    5    5 o  274.445   11.468  178.693   14.459  164.992   22.097  188.952   19.121  265.019   17.841  283.870   14.413 -18.85095 22.93524 
1 1 1    8    5    6 o  158.945   9.4961   59.061   6.9217   58.475   8.9422   59.938   10.933  158.005   12.110  159.885   14.631 -1.879608 18.99225 
1 1 1    8    5    7 o  306.096   21.021  229.735   25.500  237.382   29.442  206.779   51.012  317.779   19.825  294.414   37.074 23.36453 42.04150 
1 1 1    8    5    8 o  433.525   27.335  433.254   52.945  399.100   64.832  501.634   91.735  409.849   33.847  457.201   42.933 -47.35205 54.67044 
1 1 1    8    5    9 o  499.838   35.333  618.502   76.587  564.096  132.673  645.693   93.792  479.500   59.204  520.175   38.581 -40.67529 70.66525 
1 1 1    8    5   10 o  378.615   18.688  337.669   32.418  340.989   51.266  335.457   41.848  379.810   28.881  377.419   23.725 2.390686 37.37662 
1 1 1    8    5   11 o  292.183   14.618  198.876   19.630  210.209   31.055  191.335   25.333  298.921   22.230  285.444   18.990 13.47641 29.23684 
1 1 1    8    5   12 o  589.425   40.167  883.383   92.924  776.773  185.861  918.914  107.298  557.521   71.332  621.329   36.951 -63.80792 80.33440 
1 1 1    8    5   13 o  642.050   45.736  1103.56  111.851  857.037  223.690  1185.75  129.157  579.134   82.646  704.965   39.202 -125.8311 91.47247 
1 1 1    8    5   14 o  471.208   33.992  579.744   61.444  453.632  122.887  621.783   70.950  429.663   61.198  512.753   29.608 -83.09009 67.98346 
1 1 1    8    5   15 o  601.227   41.854  907.656  108.865  821.316  188.557  950.828  133.333  573.484   70.352  628.971   45.359 -55.48688 83.70722 
1 1 1    8    5   16 o  689.158   47.853  1196.73  143.556  1228.74  175.816  1132.71  248.656  711.287   52.890  667.030   79.765 44.25702 95.70661 
1 1 1    8    5   17 o  288.978   18.805  193.125   22.155  189.078   25.563  205.339   44.408  283.704   19.280  294.253   32.292 -10.54974 37.61020 
1 1 1    8    5   18 o  611.295   38.025  950.935   91.092  991.627  105.177  828.797  182.219  645.786   34.849  576.804   67.596 68.98206 76.05077 
1 1 1    8    5   19 o  165.651   10.834   66.349   8.0128   72.412   10.232   56.734   12.885  175.838   12.451  155.464   17.735 20.37434 21.66889 
1 1 1    8    5   20 o  840.893   45.987  1754.35  180.653  1700.27  255.438  1808.48  255.527  827.135   66.079  854.651   63.974 -27.51581 91.97377 
1 1 1    8    5   21 o  253.884   18.851  153.858   20.946  156.886   25.636  147.776   36.328  258.194   21.245  249.574   31.146 8.620087 37.70197 
1 1 1    8    5   22 o  297.168   19.585  199.808   26.051  178.684   31.855  242.465   45.268  274.951   24.790  319.386   30.327 -44.43524 39.16993 
1 1 1    8    5   23 o  345.728   21.561  275.060   30.599  265.074   35.331  305.034   61.209  335.059   22.563  356.397   36.748 -21.33844 43.12226 
1 1 1    8    5   24 f  705.224   44.255  1231.65  126.367  1206.30  145.894  1307.80  252.853  704.235   44.328  706.213   76.611 -1.978149 88.51086 
1 1 1    8    5   25 f  308.890   24.273  228.669   34.994  213.697   49.109  244.114   49.880  298.416   35.212  319.363   33.419 -20.94745 48.54614 
1 1 1    8    5   26 o  234.587   13.500  129.710   14.797  132.359   20.850  127.021   21.004  237.029   18.821  232.145   19.359 4.883804 27.00059 
1 1 1    8    5   27 o  218.524   12.561  116.468   12.262  129.973   15.809   96.080   19.425  235.274   14.378  201.774   20.600 33.49956 25.12110 
1 1 1    8    5   28 o  116.001   11.972   32.358   6.1242   43.162   8.9134   22.697   8.4289  135.577   14.067   96.424   19.377 39.15301 23.94454 
1 1 1    8    5   29 o  424.398   23.495  441.276   45.230  322.655   63.951  560.001   63.978  364.569   37.534  484.228   28.271 -119.6591 46.98964 
1 1 1    8    5   30 o  248.887   14.264  149.346   16.049  160.018   20.715  133.320   25.384  260.638   17.006  237.135   22.904 23.50313 28.52744 
1 1 1    8    5   31 o  194.077   11.291   86.276   10.088   74.979   12.975  103.545   16.041  178.486   15.554  209.668   16.370 -31.18204 22.58152 
1 1 1    8    5   32 o  163.129   10.910   62.674   8.1749   62.240   10.608   63.309   12.828  162.573   13.962  163.684   16.769 -1.111115 21.82049 
1 1 1    8    5   33 o  272.327   14.329  172.247   17.991  150.162   23.240  205.279   28.421  251.201   19.796  293.453   20.724 -42.25180 28.65882 
1 1 1    8    5   34 o  393.003   30.476  421.238   45.677  449.112   52.760  337.824   91.269  431.217   26.180  354.789   55.044 76.42795 60.95264 
1 1 1    8    5   35 f  206.968   12.836  108.225   11.597  128.780   15.008   77.768   18.269  233.641   13.745  180.295   21.682 53.34605 25.67117 
1 1 1    8    5   36 o  259.760   15.316  161.654   18.591  165.312   26.363  158.036   26.220  262.739   21.470  256.782   21.849 5.957153 30.63224 
1 1 1    8    5   37 o  164.757   10.705   64.910   8.0260   67.214   10.351   61.437   12.709  168.733   13.127  160.780   16.913 7.953781 21.40949 
1 1 1    8    5   38 o  164.604   10.892   65.947   8.1049   72.286   10.554   56.832   12.654  174.882   12.913  154.326   17.545 20.55605 21.78449 
1 1 1    8    5   39 o   80.892   15.944   16.549   5.8499   14.395   11.383   17.322   6.8192   78.252   26.323   83.531   17.999 -5.278160 31.88827 
1 1 1    8    5   40 o  238.780   20.979  137.882   23.411  137.882   23.411   0.0000   0.0000  238.780   20.979  ?   ?       ?      ? 
1 1 1    8    5   41 o  238.557   20.513  137.780   22.869  137.780   22.869   0.0000   0.0000  238.557   20.513  ?   ?       ?      ? 
1 1 1    8    5   42 o  176.969   12.286   75.429   10.127   81.311   14.204   69.347   14.443  184.242   16.496  169.695   18.212 14.54788 24.57174 
1 1 1    8    5   43 o   75.557   13.243   14.320   4.6230   14.425   7.0373   14.240   6.1318   75.694   19.702   75.420   17.700 0.2738647 26.48521 
1 1 1    8    5   44 o   76.341   15.251   15.282   5.6519   17.336   6.9213   11.172   9.7919   83.018   18.329   69.663   24.381 13.35500 30.50254 
1 1 1    8    5   45 o  115.822   14.857   33.510   7.4406   33.373   9.1734   33.774   12.721  117.492   16.706  114.152   24.572 3.339592 29.71366 
1 1 1    8    5   46 o  232.917   18.277  134.883   18.882  130.999   23.210  142.484   32.471  230.603   21.536  235.231   29.537 -4.627365 36.55394 
1 1 1    8    5   47 o  115.961   13.760   31.926   6.4773   30.120   7.5358   37.034   12.674  112.012   14.395  119.910   23.456 -7.897179 27.52075 
1 1 1    8    5   48 o  146.421   13.227   50.129   8.0405   47.220   9.3154   58.628   15.923  140.041   14.233  152.801   22.298 -12.76033 26.45323 
1 1 1    8    5   49 o   77.029   15.516   14.883   5.6925   13.651   7.1318   17.045   9.4495   73.048   20.209   81.011   23.551 -7.963150 31.03251 
1 1 1    8    5   50 o  166.465   12.561   59.383   8.8699   49.185   10.257   89.621   17.663  142.591   15.392  190.339   19.856 -47.74767 25.12280 
1 1 1    8    5   51 o  146.012   13.069   47.270   8.2785   39.735   9.7521   66.705   15.662  127.958   16.308  164.067   20.426 -36.10919 26.13757 
1 1 1    8    5   52 o   75.239   14.082   16.289   5.9577   22.799   6.9990  -0.8382   11.352   96.869   15.460   53.609   23.541 43.26000 28.16376 
1 1 1    8    5   53 o   42.835   12.725  -0.6648   4.8520   4.9276   6.1062 -10.2433   7.9914   50.330   19.001   35.341   16.930 14.98895 25.44902 
1 1 1    8    5   54 o  170.533   18.578   80.762   13.105   89.373   16.258   64.792   22.141  189.955   18.314  151.112   32.329 38.84338 37.15607 
1 1 1    8    5   55 f   68.348   16.201   11.156   6.4853   5.0157   9.1759   17.285   9.1674   56.267   22.677   80.429   23.143 -24.16276 32.40182 
1 1 1    8    5   56 o  136.878   22.408   53.926   14.033   44.964   18.648   65.625   21.306  123.205   32.074  150.552   31.302 -27.34718 44.81691 
1 1 1    8    5   57 f  159.028   16.888   64.073   11.863   58.172   14.353   76.797   21.075  150.550   20.399  167.506   26.921 -16.95645 33.77698 
1 1 1    8    5   58 o   62.435   13.682   9.6800   5.2831   16.633   6.7851  -1.0264   8.4196   79.518   18.591   45.352   20.079 34.16652 27.36352 
1 1 1    8    5   59 o   85.159   15.460   19.947   6.3621   25.716   8.9500   14.054   9.0454   98.254   20.167   72.063   23.438 26.19083 30.91964 
1 1 1    8    5   60 o   34.892   11.677  -6.7729   5.0199  -7.2154   7.5468  -6.4218   6.7229   35.804   16.952   33.980   16.062 1.823929 23.35319 
1 1 1    8    5   61 o   48.126   14.045   2.5429   5.4291  -3.1926   8.3917   6.6718   7.1200   42.051   19.198   54.202   20.504 -12.15114 28.08908 
1 1 1    8    5   62 o   89.593   16.745   17.975   6.4777   11.870   7.3887   38.254   13.466   65.697   21.167  113.489   25.953 -47.79176 33.49016 
1 1 1    8    5   63 o   46.786   13.208  -0.5717   5.2231 -10.5023   7.1203   10.997   7.6851   31.186   15.188   62.385   21.613 -31.19920 26.41569 
1 1 1    8    5   64 o   37.521   12.219  -3.7777   5.0528  -0.5605   6.9407  -7.4053   7.3701   40.618   18.093   34.424   16.427 6.194824 24.43780 
1 1 1    8    5   65 o   41.706   13.247  -0.4113   5.3843  -1.0931   7.7661   0.2198   7.4714   41.229   18.685   42.183   18.782 -0.9534149 26.49331 
1 1 1    8    5   66 o   60.046   14.964   10.347   5.5716   16.399   8.0805   4.8621   7.6928   71.615   22.011   48.477   20.277 23.13799 29.92722 
1 1 1    8    5   67 o   37.028   12.326  -5.2350   4.9768  -8.6330   6.0115   2.1674   8.8729   28.314   13.826   45.743   20.410 -17.42880 24.65225 
1 1 1    8    5   68 o   41.567   13.306  -0.1264   5.7232   3.3236   7.3323  -5.5055   9.1555   44.597   19.258   38.537   18.367 6.060005 26.61231 
1 1 1    8    5   69 f   57.180   21.513   11.338   7.8123   0.0000   0.0000   11.338   7.8123  ?   ?    57.180   21.513      ?      ? 
1 1 1    8    6    0 f  524.424   23.505  655.782   80.719  655.782   80.719  655.782   80.719  524.424   33.241  524.424   33.241 -0.000000 0.000000 
1 1 1    8    6    1 o  485.067   24.425  553.362   54.514  524.412   70.382  596.771   86.185  470.011   32.041  500.123   36.873 -30.11212 48.84961 
1 1 1    8    6    2 o  876.946   36.494  1870.54  149.530  1917.05  211.473  1824.05  211.461  888.290   50.940  865.601   52.272 22.68903 72.98784 
1 1 1    8    6    3 o  427.561   20.583  432.651   41.127  426.721   58.169  438.579   58.155  424.593   29.314  430.529   28.903 -5.935669 41.16692 
1 1 1    8    6    4 o  765.761   32.794  1407.71  115.178  1381.84  148.696  1446.51  182.108  759.175   41.910  772.347   50.452 -13.17145 65.58796 
1 1 1    8    6    5 o  563.028   27.308  755.229   70.446  748.757   90.938  764.940  111.398  561.177   34.674  564.878   42.197 -3.701843 54.61552 
1 1 1    8    6    6 o  566.350   28.934  795.015   73.142  889.290   94.432  653.651  115.635  612.151   33.008  520.550   47.532 91.60120 57.86892 
1 1 1    8    6    7 o  451.699   20.664  481.961   42.751  479.912   55.187  485.036   67.604  451.026   26.181  452.371   31.977 -1.345703 41.32768 
1 1 1    8    6    8 f  821.368   54.048  1659.29  197.422  1562.96  241.782  1851.99  341.974  794.959   65.078  847.777   86.312 -52.81787 108.0965 
1 1 1    8    6    9 o  196.297   17.178   91.097   15.668   79.794   22.141  102.435   22.174  183.959   25.753  208.635   22.742 -24.67645 34.35690 
1 1 1    8    6   10 o  227.969   16.981  125.245   16.828  130.685   20.607  114.354   29.159  235.925   18.689  220.014   28.358 15.91061 33.96265 
1 1 1    8    6   11 o  438.283   23.824  457.753   48.468  518.502   68.572  397.102   68.516  467.915   31.357  408.652   35.875 59.26291 47.64769 
1 1 1    8    6   12 o  583.141   28.528  814.829   76.014  800.195  120.196  824.583   98.129  577.368   44.545  588.914   35.654 -11.54608 57.05612 
1 1 1    8    6   13 f  648.784   34.503  1017.76  104.294  1107.23  147.518  928.352  147.469  678.279   46.537  619.289   50.953 58.98944 69.00591 
1 1 1    8    6   14 o  339.855   18.232  274.692   28.568  326.503   40.448  223.120   40.355  372.396   23.241  307.314   28.098 65.08215 36.46375 
1 1 1    8    6   15 o  769.303   49.997  1493.76  153.353  1449.14  306.748  1508.64  177.069  747.834   87.768  790.772   47.912 -42.93872 99.99374 
1 1 1    8    6   16 o  506.787   35.822  656.376   77.016  530.555  133.413  719.261   94.318  464.065   61.515  549.509   36.726 -85.44427 71.64404 
1 1 1    8    6   17 o  433.572   30.983  463.630   58.119  486.845   71.128  416.993  100.815  452.759   33.615  414.386   52.057 38.37305 61.96666 
1 1 1    8    6   18 o  391.466   43.523  367.879   79.627   0.0000   0.0000  367.879   79.627  ?   ?   391.466   43.523      ?      ? 
1 1 1    8    6   19 o  440.017   36.928  504.713   67.938  565.858   83.155  381.966  117.818  487.374   36.508  392.659   64.203 94.71503 73.85666 
1 1 1    8    6   20 o  204.710   25.270   98.917   24.177   98.917   24.177   0.0000   0.0000  204.710   25.270  ?   ?       ?      ? 
1 1 1    8    6   21 o  278.680   21.180  183.001   27.585  183.001   27.585   0.0000   0.0000  278.680   21.180  ?   ?       ?      ? 
1 1 1    8    6   22 o  431.950   27.578  449.755   48.001  450.021   55.422  448.959   96.027  435.550   27.227  428.350   47.968 7.200012 55.15643 
1 1 1    8    6   23 o  552.914   37.320  753.848   90.732  750.375  111.118  760.796  157.165  556.212   42.747  549.617   61.186 6.595398 74.63945 
1 1 1    8    6   24 o  680.213   45.995  1238.47  120.925  1299.29  139.618  1055.87  241.924  732.656   40.776  627.771   82.458 104.8850 91.98939 
1 1 1    8    6   25 o  140.355   17.167   47.656   10.941   50.645   14.994   44.252   16.000  146.414   21.913  134.297   26.433 12.11754 34.33468 
1 1 1    8    6   26 o  483.111   30.483  545.035   65.928  654.091  114.241  490.578   80.728  515.703   47.400  450.518   38.342 65.18481 60.96592 
1 1 1    8    6   27 o  345.269   18.139  283.460   28.645  285.290   36.985  280.716   45.285  347.234   22.791  343.303   28.225 3.931091 36.27736 
1 1 1    8    6   28 o  379.605   20.103  344.634   35.576  317.646   50.347  371.548   50.278  364.408   29.562  394.803   27.249 -30.39450 40.20524 
1 1 1    8    6   29 o  122.602   18.476   37.241   10.269   32.863   14.640   41.482   14.408  115.117   27.574  130.087   24.600 -14.97000 36.95252 
1 1 1    8    6   30 o  326.532   20.040  234.481   29.304  183.163   35.815  338.397   50.966  276.979   27.668  376.086   28.997 -99.10712 40.07928 
1 1 1    8    6   31 o  217.841   16.319  115.140   13.993  117.073   16.042  108.989   28.618  222.878   15.401  212.804   28.775 10.07381 32.63726 
1 1 1    8    6   32 o  356.446   26.909  333.154   40.604  364.983   49.777  269.858   70.195  388.594   27.409  324.298   46.315 64.29584 53.81736 
1 1 1    8    6   33 o  161.804   14.513   61.847   10.367   60.679   12.677   64.204   18.013  160.034   16.949  163.574   23.563 -3.539917 29.02554 
1 1 1    8    6   34 o  106.471   15.763   31.060   7.3627   38.157   9.1000   17.609   12.528  127.044   15.327   85.898   27.550 41.14523 31.52634 
1 1 1    8    6   35 o  177.315   17.839   83.547   12.715   95.226   15.588   60.326   21.979  200.420   16.642  154.210   31.560 46.21031 35.67863 
1 1 1    8    6   36 o  278.680   24.068  193.507   31.337  190.024   44.553  196.917   44.087  275.937   34.548  281.423   33.520 -5.485779 48.13681 
1 1 1    8    6   37 o  209.857   20.708  111.515   18.981  147.638   27.163   77.045   26.535  246.978   23.533  172.736   34.079 74.24174 41.41508 
1 1 1    8    6   38 o  132.180   15.501   46.443   8.3973   52.865   10.326   33.904   14.428  149.198   14.810  115.163   27.235 34.03487 31.00135 
1 1 1    8    6   39 o  375.281   47.978  388.410   84.148  388.410   84.148   0.0000   0.0000  375.281   47.978  ?   ?       ?      ? 
1 1 1    8    6   40 o   71.051   25.428   10.942   10.702   10.942   10.702   0.0000   0.0000   71.051   25.428  ?   ?       ?      ? 
1 1 1    8    6   41 o  249.098   31.527  157.869   36.702  157.869   36.702   0.0000   0.0000  249.098   31.527  ?   ?       ?      ? 
1 1 1    8    6   42 o  121.745   16.366   37.157   9.0898   32.312   12.883   41.961   12.827  112.221   25.183  131.269   20.908 -19.04865 32.73123 
1 1 1    8    6   43 f  176.142   17.881   77.408   14.707   81.200   21.317   73.964   20.318  180.243   25.306  172.040   25.270 8.203018 35.76220 
1 1 1    8    6   44 o   50.203   13.922   1.3769   4.9162  -2.9943   6.1471   9.1345   8.1890   36.899   16.682   63.507   22.293 -26.60793 27.84324 
1 1 1    8    6   45 o  259.245   19.609  166.911   22.610  157.069   27.700  186.558   39.138  251.085   23.606  267.405   31.317 -16.32042 39.21751 
1 1 1    8    6   46 o  211.708   16.266  108.535   15.421  101.555   19.008  121.980   26.379  203.587   19.977  219.829   25.676 -16.24197 32.53245 
1 1 1    8    6   47 o   34.263   15.262  -1.6621   4.9382  -1.6621   4.9382   0.0000   0.0000   34.263   15.262  ?   ?       ?      ? 
1 1 1    8    6   48 o  102.468   15.726   28.787   7.0382   32.458   8.5656   21.155   12.349  115.663   15.846   89.273   27.169 26.39009 31.45203 
1 1 1    8    6   49 o  155.093   12.769   52.903   8.3019   46.199   9.5646   73.386   16.718  138.389   14.788  171.797   20.822 -33.40796 25.53901 
1 1 1    8    6   50 o  107.596   15.532   32.161   7.3734   39.336   9.3397   20.290   12.013  127.443   15.681   87.750   26.816 39.69294 31.06435 
1 1 1    8    6   51 f  201.392   21.055  118.022   16.708  137.574   20.561   80.007   28.669  236.692   18.587  166.093   37.785 70.59917 42.10963 
1 1 1    8    6   52 o   59.972   16.411   5.3149   6.9142   12.348   10.121  -0.8407   9.4683   70.932   24.789   49.013   21.512 21.91891 32.82154 
1 1 1    8    6   53 o  134.340   12.645   37.722   7.1223   30.220   8.1613   61.691   14.587  111.405   15.675  157.274   19.846 -45.86892 25.28947 
1 1 1    8    6   54 o  109.747   19.582   34.290   10.334   24.065   15.367   42.730   13.962   92.909   30.566  126.585   24.486 -33.67611 39.16422 
1 1 1    8    6   55 o  149.579   15.943   51.415   10.247   37.422   12.249   84.032   18.701  118.665   22.917  180.492   22.170 -61.82663 31.88582 
1 1 1    8    6   56 o  130.146   17.223   38.107   8.7685   31.219   9.8820   63.609   19.015  109.426   20.063  150.866   27.999 -41.44022 34.44528 
1 1 1    8    6   57 o  133.009   22.032   49.584   13.050   40.962   16.185   65.605   22.063  118.492   29.374  147.525   32.845 -29.03350 44.06330 
1 1 1    8    6   58 o   79.292   15.033   18.025   5.8979   22.086   7.3936   10.919   9.7798   92.227   17.798   66.357   24.231 25.87069 30.06529 
1 1 1    8    6   59 o   83.701   15.537   18.957   6.4041   12.120   8.7870   26.703   9.3531   67.742   23.125   99.659   20.756 -31.91658 31.07394 
1 1 1    8    6   60 o   76.135   15.453   16.266   6.2927   23.541   8.6794   8.2039   9.1367   92.651   20.580   59.620   23.058 33.03128 30.90625 
1 1 1    8    6   61 o   58.127   15.252   7.9763   5.6189   10.631   7.8923   5.2480   8.0015   63.348   21.905   52.906   21.228 10.44201 30.50333 
1 1 1    8    6   62 o  115.751   17.973   39.340   8.0128   39.172   8.9933   39.988   17.648  123.882   15.533  107.620   32.417 16.26112 35.94687 
1 1 1    8    6   63 o   65.204   13.551   10.847   5.1240   2.3353   7.0007   20.668   7.5200   44.787   19.067   85.621   19.259 -40.83390 27.10128 
1 1 1    8    6   64 o   74.714   12.661   14.495   5.1747   3.8359   7.0334   27.073   7.6406   47.527   19.590  101.901   16.044 -54.37335 25.32152 
1 1 1    8    6   65 o   62.297   14.267   10.781   4.8942   6.4800   6.3988   16.844   7.5974   50.380   19.347   74.213   20.975 -23.83300 28.53481 
1 1 1    8    6   66 o   72.914   14.761   18.695   5.7801   22.223   6.7565   9.0651   11.163   88.679   16.920   57.149   24.193 31.52963 29.52231 
1 1 1    8    6   67 o   71.259   15.926   14.382   5.8680   8.3955   7.0772   27.551   10.497   53.481   20.392   89.036   24.469 -35.55447 31.85253 
1 1 1    8    6   68 o   59.597   15.557   9.2293   7.6309 -11.1985   12.014   23.045   9.8800   39.660   19.404   79.533   24.322 -39.87258 31.11342 
1 1 1    8    7    0 o  498.177   21.909  590.457   71.499  590.457   71.499  590.457   71.499  498.177   30.984  498.177   30.984 -0.000000 0.000000 
1 1 1    8    7    1 o  460.617   22.539  504.155   47.455  509.493   61.256  496.142   75.048  464.370   28.225  456.865   35.149 7.504883 45.07877 
1 1 1    8    7    2 o  385.716   16.142  351.140   28.973  313.864   40.969  388.435   40.979  365.032   24.015  406.399   21.576 -41.36716 32.28365 
1 1 1    8    7    3 f  552.489   26.315  716.465   66.948  669.493   86.436  786.898  105.844  530.824   34.842  574.154   39.445 -43.33063 52.62967 
1 1 1    8    7    4 o  434.873   19.558  446.756   39.723  428.213   56.179  465.297   56.174  425.750   28.234  443.997   27.072 -18.24704 39.11594 
1 1 1    8    7    5 o  180.868   10.487   77.167   8.6475   79.030   11.146   74.350   13.705  183.691   12.984  178.045   16.471 5.646149 20.97316 
1 1 1    8    7    6 o  183.419   10.290   78.288   8.6639   76.011   11.171   81.725   13.725  180.140   13.269  186.698   15.730 -6.557724 20.57903 
1 1 1    8    7    7 o  437.849   29.057  462.358   55.717  470.454   68.245  446.174   96.488  445.441   32.782  430.257   47.985 15.18500 58.11379 
1 1 1    8    7    8 o  300.801   16.398  213.666   22.938  238.168   32.448  189.193   32.430  318.220   21.818  283.383   24.486 34.83691 32.79669 
1 1 1    8    7    9 o  417.462   27.124  407.787   50.273  440.033   87.115  391.685   61.558  428.425   43.508  406.499   32.403 21.92529 54.24884 
1 1 1    8    7   10 o  942.031   69.467  2369.49  283.902  2420.49  347.702  2267.48  491.752  979.627   75.946  904.436  116.339 75.19128 138.9335 
1 1 1    8    7   11 o  504.706   38.942  607.724   91.855  607.724   91.855   0.0000   0.0000  504.706   38.942  ?   ?       ?      ? 
1 1 1    8    7   12 o  420.570   32.752  419.511   64.376  419.511   64.376   0.0000   0.0000  420.570   32.752  ?   ?       ?      ? 
1 1 1    8    7   13 o  560.923   36.996  768.065   90.925  777.240  111.357  749.711  157.495  569.744   41.821  552.103   61.038 17.64117 73.99116 
1 1 1    8    7   14 o  511.294   27.069  623.669   64.681  628.901   91.482  618.440   91.463  513.481   38.122  509.106   38.441 4.375549 54.13836 
1 1 1    8    7   15 o  592.937   31.490  847.556   86.824  942.860  122.810  752.323  122.765  627.313   41.890  558.560   47.029 68.75256 62.97968 
1 1 1    8    7   16 o  508.214   30.744  597.704   69.810  548.508   85.455  696.406  121.042  479.473   38.136  536.954   48.234 -57.48068 61.48873 
1 1 1    8    7   17 o  161.374   16.037   61.589   12.004   64.020   16.218   58.643   17.853  164.996   21.032  157.753   24.215 7.243546 32.07396 
1 1 1    8    7   18 o  713.025   81.844  1306.43  272.730  1306.43  272.730   0.0000   0.0000  713.025   81.844  ?   ?       ?      ? 
1 1 1    8    7   19 o  431.888   47.875  452.538   96.633  452.538   96.633   0.0000   0.0000  431.888   47.875  ?   ?       ?      ? 
1 1 1    8    7   20 o  440.010   35.627  463.517   73.264  463.517   73.264   0.0000   0.0000  440.010   35.627  ?   ?       ?      ? 
1 1 1    8    7   21 o  366.214   41.277  324.383   70.646  324.383   70.646   0.0000   0.0000  366.214   41.277  ?   ?       ?      ? 
1 1 1    8    7   22 o  960.020   57.050  2284.89  226.290  2107.15  261.273  2818.47  452.704  914.688   61.119  1005.35   96.350 -90.66547 114.1006 
1 1 1    8    7   23 o  363.189   29.107  338.473   41.062  356.692   47.381  283.508   82.298  387.837   26.141  338.540   52.016 49.29724 58.21495 
1 1 1    8    7   24 o  256.779   18.109  156.883   20.340  157.812   24.796  154.974   35.561  258.627   20.515  254.930   29.848 3.696396 36.21835 
1 1 1    8    7   25 o  281.637   24.892  197.544   30.427  132.615   42.890  263.332   43.173  230.563   41.321  332.711   27.765 -102.1483 49.78312 
1 1 1    8    7   26 o  533.261   43.126  733.251  104.467  550.217  147.645  916.752  147.833  459.753   68.715  606.768   52.132 -147.0152 86.25243 
1 1 1    8    7   27 o  129.059   14.034   36.565   7.9327   26.842   9.7626   55.460   13.609  104.802   20.667  153.317   18.994 -48.51460 28.06891 
1 1 1    8    7   28 o  231.233   15.513  125.646   14.397  124.706   16.540  128.587   29.250  230.249   15.371  232.217   26.952 -1.968033 31.02672 
1 1 1    8    7   29 o  199.557   14.928   88.171   13.308   75.101   16.176  115.538   23.407  178.338   19.409  220.777   22.686 -42.43932 29.85537 
1 1 1    8    7   30 o  206.598   15.509   96.684   14.306   86.625   17.442  117.364   25.008  191.290   19.510  221.905   24.114 -30.61435 31.01777 
1 1 1    8    7   31 o  358.392   26.317  326.799   40.732  343.200   49.903  294.063   70.504  376.576   28.355  340.208   44.343 36.36829 52.63372 
1 1 1    8    7   32 o  162.705   14.223   60.644   10.282   55.751   12.504   70.860   18.066  153.344   17.448  172.066   22.466 -18.72163 28.44596 
1 1 1    8    7   33 o   98.025   15.969   22.713   6.7927   20.463   8.2062   27.610   12.106   90.993   19.855  105.056   25.016 -14.06331 31.93757 
1 1 1    8    7   34 o   99.113   15.608   26.409   6.4760   29.394   7.5402   18.014   12.643  111.557   14.463   86.670   27.664 24.88691 31.21612 
1 1 1    8    7   35 f  368.422   22.951  322.589   34.606  308.916   39.918  363.957   69.431  357.992   23.859  378.853   39.214 -20.86093 45.90208 
1 1 1    8    7   36 o  327.166   23.678  271.456   33.669  279.779   41.242  254.825   58.300  338.996   26.032  315.336   39.559 23.66061 47.35606 
1 1 1    8    7   37 o  164.242   16.897   70.344   11.287   76.958   13.726   56.527   19.837  179.770   16.337  148.715   29.583 31.05457 33.79419 
1 1 1    8    7   38 o  100.864   14.235   23.283   6.1051   19.645   7.3011   31.740   11.132   89.027   18.163  112.701   21.923 -23.67423 28.46971 
1 1 1    8    7   39 o  223.686   29.389  124.995   30.723  124.995   30.723   0.0000   0.0000  223.686   29.389  ?   ?       ?      ? 
1 1 1    8    7   40 o  367.691   28.354  338.026   48.723  338.026   48.723   0.0000   0.0000  367.691   28.354  ?   ?       ?      ? 
1 1 1    8    7   41 o   62.891   14.048   10.096   4.5833   12.163   5.2270   3.2172   9.5337   69.936   16.295   55.847   22.889 14.08934 28.09643 
1 1 1    8    7   42 o  123.548   15.229   39.466   7.6122   41.512   9.0453   34.500   14.093  131.824   14.682  115.272   26.686 16.55153 30.45811 
1 1 1    8    7   43 o  130.447   12.795   40.121   6.9650   38.736   8.1297   43.942   13.504  127.370   13.657  133.523   21.641 -6.152771 25.59005 
1 1 1    8    7   44 o  126.371   14.353   42.128   6.9506   44.620   8.0868   35.081   13.598  136.839   12.645  115.904   25.771 20.93520 28.70613 
1 1 1    8    7   45 o  163.644   15.138   65.122   11.093   63.130   13.763   68.815   18.738  161.250   18.263  166.038   24.148 -4.787796 30.27636 
1 1 1    8    7   46 o  289.387   31.433  248.630   40.184  192.437   56.954  304.332   56.705  245.911   51.220  332.864   36.451 -86.95340 62.86636 
1 1 1    8    7   47 o   75.153   13.419   11.253   4.9414   4.3707   5.9857   25.979   8.7556   49.067   18.743  101.239   19.208 -52.17227 26.83736 
1 1 1    8    7   48 o  132.753   16.290   42.814   10.107   42.814   10.107   0.0000   0.0000  132.753   16.290  ?   ?       ?      ? 
1 1 1    8    7   49 o  146.262   17.142   62.486   9.1411   69.611   10.575   41.427   18.181  170.378   13.281  122.145   31.607 48.23283 34.28392 
1 1 1    8    7   50 o  128.037   16.638   49.162   8.0292   56.198   9.3189   28.889   15.818  153.205   13.015  102.869   30.625 50.33620 33.27578 
1 1 1    8    7   51 f   87.640   17.118   19.363   6.7599   19.363   6.7599   0.0000   0.0000   87.640   17.118  ?   ?       ?      ? 
1 1 1    8    7   52 o  159.725   14.448   61.842   10.785   61.842   10.785   0.0000   0.0000  159.725   14.448  ?   ?       ?      ? 
1 1 1    8    7   53 o  157.040   14.581   61.937   9.2799   62.005   10.776   61.742   18.257  160.001   14.411  154.078   25.354 5.923080 29.16294 
1 1 1    8    7   54 o  103.377   16.424   28.614   7.6289   28.924   9.8582   28.152   12.045  105.286   20.773  101.467   25.446 3.818535 32.84832 
1 1 1    8    7   55 o   52.442   22.871   0.3289   10.554   0.3289   10.554   0.0000   0.0000   52.442   22.871  ?   ?       ?      ? 
1 1 1    8    7   56 o   97.127   25.110   26.157   11.482   26.157   11.482   0.0000   0.0000   97.127   25.110  ?   ?       ?      ? 
1 1 1    8    7   57 o  102.754   15.704   34.436   7.1903   42.552   8.4653   13.414   13.624  131.838   13.739   73.669   28.244 58.16860 31.40880 
1 1 1    8    7   58 o  120.172   14.821   39.052   7.9047   48.042   10.918   29.147   11.460  138.182   16.906  102.162   24.347 36.02071 29.64126 
1 1 1    8    7   59 o   62.426   15.425   8.3206   5.4159   4.6693   6.6087   15.787   9.4505   49.668   19.497   75.185   23.909 -25.51691 30.85056 
1 1 1    8    7   60 o   52.778   14.037   5.2082   5.4623   10.960   6.7585  -5.6242   9.2753   63.718   20.214   41.839   19.482 21.87844 28.07427 
1 1 1    8    7   61 f   95.689   15.797   25.804   6.9133   25.883   9.3284   25.709   10.297   96.639   21.234   94.739   23.395 1.899826 31.59465 
1 1 1    8    7   62 o   95.939   15.613   26.270   6.8048   23.601   8.9656   29.898   10.451   90.578   21.501  101.300   22.645 -10.72143 31.22639 
1 1 1    8    7   63 o   71.383   13.228   15.738   5.4375   22.507   6.6713   2.3437   9.3848   93.262   15.306   49.504   21.579 43.75872 26.45641 
1 1 1    8    7   64 o   48.943   13.945   4.7339   5.0810   7.4110   6.5907   0.8114   7.9777   53.449   19.828   44.436   19.615 9.013554 27.89075 
1 1 1    8    7   65 o   72.207   16.612   16.804   6.0969   16.387   7.1456   17.922   11.691   73.485   20.187   70.929   26.389 2.555801 33.22435 
1 1 1    8    7   66 o   39.415   12.822  -2.1719   5.5787   1.4073   7.3858  -6.9262   8.5124   42.433   18.795   36.397   17.445 6.035892 25.64363 
1 1 1    8    7   67 o   33.542   11.496  -9.2026   5.7017  -4.5603   7.2421 -16.7718   9.2475   35.208   16.651   31.875   15.854 3.333506 22.99166 
1 1 1    8    7   68 o   64.225   22.480   14.842   8.3246   0.0000   0.0000   14.842   8.3246  ?   ?    64.225   22.480      ?      ? 
1 1 1    8    8    0 o  100.584   7.3237   24.401   4.7505   24.401   4.7505   24.401   4.7505  100.584   10.357  100.584   10.357 -0.000000 0.000000 
1 1 1    8    8    1 o  203.536   9.6516   97.096   9.1737  101.618   12.983   92.588   12.964  208.282   13.338  198.790   13.954 9.491653 19.30329 
1 1 1    8    8    2 f  353.051   13.480  292.815   22.230  281.650   31.435  303.984   31.439  346.283   19.424  359.819   18.696 -13.53568 26.95999 
1 1 1    8    8    3 o  271.872   13.124  176.211   16.193  161.362   25.588  186.130   20.913  262.000   20.898  281.743   15.882 -19.74298 26.24808 
1 1 1    8    8    4 o  409.692   19.808  412.641   36.132  466.907   46.673  331.476   57.079  445.471   22.418  373.913   32.664 71.55841 39.61686 
1 1 1    8    8    5 o  142.101   7.6767   47.273   5.0969   46.422   7.2427   48.108   7.1740  140.831   11.004  143.371   10.707 -2.540085 15.35346 
1 1 1    8    8    6 o  278.318   12.093  181.736   15.729  183.634   22.258  179.844   22.229  279.774   17.023  276.861   17.180 2.913025 24.18532 
1 1 1    8    8    7 o  293.913   16.590  204.018   22.677  180.960   32.057  227.113   32.083  277.114   24.753  310.712   22.094 -33.59824 33.17903 
1 1 1    8    8    8 o  132.388   14.767   43.480   8.4045   62.773   12.027   25.068   11.749  163.621   15.728  101.156   24.997 62.46480 29.53370 
1 1 1    8    8    9 o  236.502   17.433  134.004   17.999  138.273   22.050  125.478   31.159  242.617   19.447  230.387   28.939 12.22969 34.86618 
1 1 1    8    8   10 o  379.937   18.784  340.740   33.340  329.758   47.140  351.730   47.158  373.750   26.988  386.123   26.133 -12.37299 37.56708 
1 1 1    8    8   11 o  254.288   14.232  152.151   16.879  163.433   23.894  140.914   23.847  263.761   19.384  244.815   20.843 18.94595 28.46336 
1 1 1    8    8   12 o  150.884   12.296   52.109   8.2451   49.380   10.075   57.642   14.347  145.139   14.853  156.629   19.600 -11.48987 24.59223 
1 1 1    8    8   13 f  136.008   12.090   42.558   7.3404   40.666   9.0301   46.244   12.603  131.714   14.670  140.303   19.221 -8.588593 24.17922 
1 1 1    8    8   14 o  472.251   33.936  552.187   69.397  578.644   84.970  499.182  120.267  492.793   36.894  451.709   56.970 41.08435 67.87291 
1 1 1    8    8   15 o  735.519   84.662  1394.50  291.020  1394.50  291.020   0.0000   0.0000  735.519   84.662  ?   ?       ?      ? 
1 1 1    8    8   16 o  416.967   29.564  433.519   52.943  370.292   91.611  465.226   64.874  390.922   50.143  443.013   31.334 -52.09064 59.12834 
1 1 1    8    8   17 o  547.288   44.324  721.636  113.371  721.636  113.371   0.0000   0.0000  547.288   44.324  ?   ?       ?      ? 
1 1 1    8    8   18 o  240.293   19.151  135.826   21.506  135.826   21.506   0.0000   0.0000  240.293   19.151  ?   ?       ?      ? 
1 1 1    8    8   19 o  640.570   42.076  992.973  125.964  992.973  125.964   0.0000   0.0000  640.570   42.076  ?   ?       ?      ? 
1 1 1    8    8   20 o  379.890   25.428  338.960   42.853  323.876   52.384  369.475   74.509  368.793   30.393  390.986   40.776 -22.19296 50.85682 
1 1 1    8    8   21 o  599.433   29.873  792.853   79.820  580.953   97.646  1219.62  138.576  489.325   42.699  709.541   41.789 -220.2163 59.74552 
1 1 1    8    8   22 o  248.672   19.473  146.748   22.549  130.475   31.293  164.325   32.522  234.189   28.591  263.155   26.444 -28.96655 38.94547 
1 1 1    8    8   23 o  209.693   14.294  103.709   13.069  103.684   15.855  103.761   23.080  210.009   16.154  209.376   23.587 0.6329498 28.58832 
1 1 1    8    8   24 f  247.069   17.084  145.491   18.327  147.093   22.226  142.088   32.396  249.838   19.035  244.300   28.374 5.538223 34.16757 
1 1 1    8    8   25 o  317.031   25.858  245.150   37.570  191.155   53.026  299.578   53.239  280.462   40.455  353.599   32.216 -73.13724 51.71570 
1 1 1    8    8   26 o  288.149   20.736  202.282   26.027  209.617   31.894  187.661   45.029  297.390   22.948  278.908   34.546 18.48187 41.47279 
1 1 1    8    8   27 o  334.145   18.492  244.355   25.801  220.873   29.756  315.499   51.795  305.581   20.836  362.708   30.555 -57.12729 36.98321 
1 1 1    8    8   28 o  203.758   12.742   91.345   10.728   84.625   12.337  112.191   21.728  189.788   13.909  217.728   21.353 -27.94037 25.48335 
1 1 1    8    8   29 o  185.429   14.477   78.548   11.936   72.509   14.535   91.052   20.915  175.209   17.751  195.650   22.874 -20.44020 28.95374 
1 1 1    8    8   30 o  364.926   23.650  315.951   38.513  292.621   47.164  362.635   66.717  347.476   29.043  382.376   37.334 -34.90057 47.30025 
1 1 1    8    8   31 o  205.583   17.035  110.997   13.152  119.159   15.072   84.949   26.926  224.712   14.352  186.454   30.900 38.25859 34.07029 
1 1 1    8    8   32 o  348.874   25.172  303.559   38.440  306.508   47.072  297.656   66.597  355.185   28.358  342.563   41.598 12.62262 50.34429 
1 1 1    8    8   33 o  255.374   18.218  163.198   18.320  168.684   21.125  146.565   36.786  266.722   16.947  244.027   32.256 22.69591 36.43686 
1 1 1    8    8   34 o  254.899   16.184  152.805   16.699  149.487   19.215  163.045   33.757  251.096   16.374  258.702   27.920 -7.605438 32.36769 
1 1 1    8    8   35 o   93.573   15.943   22.453   6.5784   23.856   7.9405   19.382   11.746   98.648   17.882   88.499   26.400 10.14909 31.88590 
1 1 1    8    8   36 f  162.938   17.431   64.726   13.252   63.148   19.131   66.182   18.375  160.807   25.456  165.069   23.819 -4.261261 34.86182 
1 1 1    8    8   37 o  109.359   14.913   30.600   6.9008   32.680   8.3878   26.243   12.140  117.201   15.313  101.516   25.595 15.68501 29.82591 
1 1 1    8    8   38 o  184.083   26.285   83.516   22.613   83.516   22.613   0.0000   0.0000  184.083   26.285  ?   ?       ?      ? 
1 1 1    8    8   39 o   46.846   18.211   3.4186   5.7216   3.4186   5.7216   0.0000   0.0000   46.846   18.211  ?   ?       ?      ? 
1 1 1    8    8   40 o  136.713   22.164   45.634   14.161   45.634   14.161   0.0000   0.0000  136.713   22.164  ?   ?       ?      ? 
1 1 1    8    8   41 o  124.179   16.254   37.807   9.1318   28.441   12.147   49.979   13.848  105.130   25.075  143.229   20.688 -38.09944 32.50740 
1 1 1    8    8   42 o  128.059   16.022   43.814   8.4905   48.532   10.367   34.203   14.797  142.171   15.603  113.947   27.989 28.22386 32.04409 
1 1 1    8    8   43 o   68.090   14.925   11.748   5.2764   13.660   6.5795   8.3016   8.8324   73.465   19.016   62.714   23.008 10.75155 29.84908 
1 1 1    8    8   44 o  165.287   13.846   62.594   10.293   52.371   12.625   82.857   17.774  146.824   18.399  183.750   20.697 -36.92604 27.69299 
1 1 1    8    8   45 o  103.377   15.510   28.407   6.9508   31.216   8.4743   22.632   12.151  113.787   15.936   92.968   26.613 20.81854 31.01947 
1 1 1    8    8   46 f  128.525   15.556   42.280   8.5713   43.262   10.591   40.416   14.593  133.318   16.998  123.731   26.059 9.587082 31.11267 
1 1 1    8    8   47 o   82.726   16.022   17.767   6.1522   17.980   7.5129   17.333   10.719   83.771   19.547   81.680   25.392 2.091408 32.04449 
1 1 1    8    8   48 o  170.752   14.880   72.309   10.248   72.070   11.851   73.018   20.406  172.891   14.667  168.612   25.896 4.279602 29.76086 
1 1 1    8    8   49 o  211.114   17.756  118.017   14.659  122.510   16.948  104.677   29.203  224.684   16.140  197.544   31.632 27.14063 35.51152 
1 1 1    8    8   50 o  143.927   14.611   52.955   8.3042   54.088   9.7241   49.903   15.961  150.008   13.871  137.846   25.721 12.16197 29.22256 
1 1 1    8    8   51 o   47.289   12.460   2.4187   4.6179   8.8566   5.6053 -11.1826   8.1473   59.517   18.339   35.061   16.873 24.45555 24.92044 
1 1 1    8    8   52 o   72.490   15.264   13.588   5.1379   14.159   5.8908   11.771   10.503   74.587   17.244   70.393   25.192 4.194382 30.52838 
1 1 1    8    8   53 o   93.471   16.087   24.967   7.2763   31.076   9.0395   13.725   12.263  112.154   17.246   74.788   27.160 37.36604 32.17311 
1 1 1    8    8   54 o  104.776   15.943   30.585   7.5457   35.959   9.6277   22.027   12.149  120.381   17.113   89.172   26.906 31.20903 31.88684 
1 1 1    8    8   55 o  105.029   17.496   27.552   8.5880   27.552   8.5880   0.0000   0.0000  105.029   17.496  ?   ?       ?      ? 
1 1 1    8    8   56 o   93.559   21.910   23.592   9.4118   23.592   9.4118   0.0000   0.0000   93.559   21.910  ?   ?       ?      ? 
1 1 1    8    8   57 o   71.891   16.559   13.327   6.0299   12.358   7.2352   15.529   10.911   68.235   20.802   75.547   25.769 -7.311913 33.11793 
1 1 1    8    8   58 o   86.986   21.616   20.661   8.7488   20.661   8.7488   0.0000   0.0000   86.986   21.616  ?   ?       ?      ? 
1 1 1    8    8   59 o   58.789   16.268   6.9617   6.9736   12.168   8.9751  -0.9693   11.078   67.047   23.349   50.531   22.658 16.51538 32.53545 
1 1 1    8    8   60 o   49.532   14.764   1.8694   6.1118   6.6493   8.4232  -3.4453   8.8819   56.008   22.003   43.055   19.693 12.95287 29.52892 
1 1 1    8    8   61 o   47.568   14.757  -2.8559   6.2944  -8.8425   7.8408   7.9949   10.556   34.949   16.749   60.188   24.300 -25.23906 29.51327 
1 1 1    8    8   62 o   84.204   16.445   21.076   6.9338   14.103   9.3397   29.638   10.350   68.467   23.820   99.941   22.679 -31.47366 32.88941 
1 1 1    8    8   63 f   38.044   12.531  -4.6361   5.4398  -2.9324   7.8380  -6.2193   7.5558   40.075   18.392   36.014   17.025 4.060677 25.06215 
1 1 1    8    8   64 o   60.872   16.406   9.1857   6.5912   3.5526   8.3847   18.297   10.664   48.177   20.697   73.567   25.461 -25.38950 32.81174 
1 1 1    8    8   65 o   81.506   18.016   21.917   7.4320   16.992   9.2707   30.776   12.433   71.008   23.756   92.003   27.091 -20.99434 36.03116 
1 1 1    8    8   66 o   59.579   15.310   10.889   5.9176   16.562   8.3020   5.0297   8.4371   70.337   22.413   48.821   20.862 21.51530 30.61976 
1 1 1    8    8   67 o   65.455   18.703   16.839   8.8623   15.249   12.396   18.503   12.675   63.327   26.044   67.583   26.851 -4.256222 37.40650 
1 1 1    8    8   68 o   46.266   21.476   1.8585   11.132   0.0000   0.0000   1.8585   11.132  ?   ?    46.266   21.476      ?      ? 
1 1 1    8    9    0 o  319.519   17.984  244.107   37.425  244.107   37.425  244.107   37.425  319.519   25.433  319.519   25.433 -0.000000 0.000000 
1 1 1    8    9    1 o  297.719   16.395  208.975   22.759  225.370   32.192  192.592   32.181  309.497   22.256  285.940   24.081 23.55649 32.79090 
1 1 1    8    9    2 o  160.917   9.6578   61.599   7.0435   64.920   9.0691   56.551   11.181  166.523   11.653  155.311   15.404 11.21161 19.31559 
1 1 1    8    9    3 o   98.511   8.1973   22.714   3.6766   22.695   4.6959   22.744   5.9100   98.479   10.203   98.544   12.833 -0.6455231E-01 16.39451 
1 1 1    8    9    4 o  380.747   17.206  331.922   30.173  282.917   38.923  405.716   47.763  346.563   24.032  414.931   24.631 -68.36835 34.41203 
1 1 1    8    9    5 o  380.127   17.432  334.179   30.533  305.067   39.398  377.960   48.315  359.941   23.421  400.313   25.825 -40.37210 34.86346 
1 1 1    8    9    6 o  629.473   40.946  954.673  114.179  923.419  139.839  1017.18  197.766  618.536   48.375  640.411   66.077 -21.87567 81.89194 
1 1 1    8    9    7 o  320.881   18.802  251.738   26.960  207.494   42.649  281.185   34.793  296.004   30.830  345.757   21.532 -49.75278 37.60432 
1 1 1    8    9    8 o  367.898   17.430  310.848   29.552  371.536   46.768  270.508   38.130  396.952   25.210  338.844   24.078 58.10870 34.86079 
1 1 1    8    9    9 o  520.599   26.808  647.155   65.094  600.963   92.041  693.379   92.073  501.608   39.262  539.589   36.511 -37.98053 53.61530 
1 1 1    8    9   10 o  612.399   33.109  905.063   94.585  843.369  133.740  966.800  133.788  590.839   48.434  633.959   45.156 -43.11993 66.21830 
1 1 1    8    9   11 o  586.511   30.949  826.344   84.793  797.664  119.890  855.047  119.940  576.047   44.533  596.974   42.990 -20.92773 61.89758 
1 1 1    8    9   12 o  168.572   14.024   68.202   10.366   62.516   17.693   71.174   12.790  162.931   23.236  174.214   15.709 -11.28296 28.04779 
1 1 1    8    9   13 o  490.301   32.808  571.783   71.245  602.716  123.308  556.282   87.290  497.878   52.994  482.725   38.692 15.15326 65.61552 
1 1 1    8    9   14 o  670.001   51.739  1139.59  159.750  936.508  225.849  1342.92  225.992  605.121   79.861  734.881   65.801 -129.7596 103.4771 
1 1 1    8    9   15 o  537.166   59.933  712.842  150.459  712.842  150.459   0.0000   0.0000  537.166   59.933  ?   ?       ?      ? 
1 1 1    8    9   16 o  507.977   39.317  619.856   93.340  619.856   93.340   0.0000   0.0000  507.977   39.317  ?   ?       ?      ? 
1 1 1    8    9   17 o  309.250   20.917  223.159   28.803  213.970   35.367  241.258   49.633  300.706   25.166  317.794   33.418 -17.08887 41.83428 
1 1 1    8    9   18 o  215.919   15.622  113.575   14.701  120.914   18.163   99.631   25.036  226.788   17.136  205.049   26.125 21.73990 31.24382 
1 1 1    8    9   19 o  491.488   22.985  576.591   51.716  575.372   66.756  578.421   81.787  491.908   29.038  491.068   35.637 0.8405762 45.96943 
1 1 1    8    9   20 o  175.440   10.210   71.000   8.2171   66.185   10.508   78.578   13.183  167.971   13.386  182.908   15.421 -14.93739 20.42080 
1 1 1    8    9   21 o  398.108   20.950  387.648   37.527  422.760   48.455  335.023   59.321  422.454   24.543  373.763   33.960 48.69135 41.90041 
1 1 1    8    9   22 o  393.000   21.029  369.444   38.431  327.455   54.301  411.585   54.399  370.104   31.393  415.895   27.988 -45.79068 42.05771 
1 1 1    8    9   23 o  194.902   12.215   89.594   11.100   95.226   15.547   83.737   15.853  201.222   16.532  188.582   17.987 12.63976 24.43053 
1 1 1    8    9   24 o   85.791   10.573   17.489   4.1342   15.377   5.6544   19.915   6.0599   79.495   15.776   92.087   14.081 -12.59171 21.14621 
1 1 1    8    9   25 o   95.221   13.929   22.268   5.7790   20.446   9.9545   23.195   7.0974   91.134   23.286   99.308   15.292 -8.174088 27.85835 
1 1 1    8    9   26 o  178.652   11.925   75.500   9.9092   82.359   13.851   68.310   14.182  187.082   15.842  170.222   17.827 16.85992 23.84911 
1 1 1    8    9   27 o  264.228   16.389  154.792   17.889  143.594   20.578  189.436   36.196  246.768   17.844  281.688   27.494 -34.92007 32.77700 
1 1 1    8    9   28 f  300.478   15.677  195.235   19.637  174.498   22.590  259.364   39.726  271.725   17.789  329.230   25.819 -57.50513 31.35336 
1 1 1    8    9   29 o  265.707   19.818  170.770   23.113  170.727   28.256  170.856   40.181  267.237   22.624  264.176   32.545 3.061035 39.63584 
1 1 1    8    9   30 o  263.510   22.588  166.238   27.818  166.238   27.818   0.0000   0.0000  263.510   22.588  ?   ?       ?      ? 
1 1 1    8    9   31 o  272.447   14.088  176.538   17.576  175.265   22.668  178.458   27.830  271.735   17.849  273.159   21.800 -1.424622 28.17520 
1 1 1    8    9   32 o  254.873   15.468  156.539   18.167  187.808   25.877  126.148   25.510  280.712   19.724  229.034   23.833 51.67833 30.93614 
1 1 1    8    9   33 o  101.830   9.9640   24.566   4.6550   24.891   6.0570   24.097   7.2756  102.763   12.612  100.896   15.430 1.866730 19.92809 
1 1 1    8    9   34 o  275.296   15.739  182.612   20.203  168.510   28.539  196.776   28.603  264.321   23.103  286.272   21.379 -21.95081 31.47717 
1 1 1    8    9   35 o  219.146   13.377  115.304   13.637  127.720   19.287  102.891   19.285  231.268   17.845  207.025   19.932 24.24304 26.75322 
1 1 1    8    9   36 f  190.603   12.136   86.916   10.791   92.683   15.253   81.137   15.270  197.086   16.560  184.120   17.745 12.96614 24.27197 
1 1 1    8    9   37 o  257.174   16.663  152.779   19.281  131.770   23.684  194.058   33.200  233.162   21.735  281.185   25.264 -48.02362 33.32677 
1 1 1    8    9   38 o   94.464   13.303   23.685   5.1182   25.979   6.0395   17.837   9.6414  104.773   12.334   84.155   23.574 20.61835 26.60538 
1 1 1    8    9   39 o   80.218   15.249   15.834   5.5077   15.834   5.5077   0.0000   0.0000   80.218   15.249  ?   ?       ?      ? 
1 1 1    8    9   40 o  221.381   17.570  121.211   16.897  120.901   20.481  121.872   29.897  223.305   19.625  219.458   29.150 3.846359 35.14058 
1 1 1    8    9   41 o   70.052   14.408   10.237   4.5555   7.6641   5.2710   17.833   9.0557   56.511   17.843   83.592   22.627 -27.08158 28.81590 
1 1 1    8    9   42 o  174.101   14.460   70.618   11.123   63.343   13.412   86.644   19.907  161.534   17.767  186.668   22.818 -25.13420 28.91937 
1 1 1    8    9   43 o  238.646   17.769  138.543   18.875  128.740   23.078  158.354   32.806  228.467   21.614  248.825   28.211 -20.35800 35.53872 
1 1 1    8    9   44 o  128.032   15.977   44.419   7.6694   47.251   8.8019   35.489   15.630  140.684   13.387  115.380   29.015 25.30316 31.95458 
1 1 1    8    9   45 o  112.085   17.188   34.071   9.6871   55.381   13.450   11.098   13.964  150.166   19.164   74.003   28.538 76.16319 34.37551 
1 1 1    8    9   46 o  163.756   13.518   58.145   9.6977   41.095   11.627   97.120   17.579  129.006   19.285  198.507   18.949 -69.50099 27.03630 
1 1 1    8    9   47 o  198.313   18.028  103.137   15.314  107.897   18.668   93.340   26.779  209.315   19.083  187.310   30.591 22.00476 36.05534 
1 1 1    8    9   48 o  183.805   17.410   91.825   11.881   96.976   13.719   76.370   23.765  200.547   14.637  167.064   31.595 33.48267 34.82095 
1 1 1    8    9   49 o   46.502   13.619   2.1408   4.7004   3.6448   5.6423  -1.2700   8.4971   46.682   18.101   46.321   20.353 0.3614197 27.23810 
1 1 1    8    9   50 o   87.961   15.413   21.248   6.7540   27.828   8.6892   11.204   10.735  106.354   17.482   69.569   25.389 36.78574 30.82590 
1 1 1    8    9   51 o   58.174   15.337   5.9125   4.9791   4.2627   5.7398   10.929   10.009   48.069   18.356   68.279   24.575 -20.21040 30.67330 
1 1 1    8    9   52 o  129.205   15.383   44.236   7.5528   45.566   8.6877   40.119   15.284  137.387   13.531  121.023   27.630 16.36356 30.76543 
1 1 1    8    9   53 o   85.514   16.728   19.729   6.7340   20.144   8.3238   18.944   11.456   87.508   20.681   83.520   26.298 3.988487 33.45549 
1 1 1    8    9   55 o   87.404   24.661   21.097   10.512   21.097   10.512   0.0000   0.0000   87.404   24.661  ?   ?       ?      ? 
1 1 1    8    9   56 o   47.258   14.644  -0.4052   6.0488  -1.8893   7.7620   1.8898   9.6525   42.532   19.026   51.984   22.266 -9.451740 29.28756 
1 1 1    8    9   57 o   61.290   15.507   9.3634   5.7022   11.531   6.9246   4.7976   10.050   66.048   20.389   56.532   23.371 9.515690 31.01450 
1 1 1    8    9   58 o   45.038   14.181  -0.4077   5.3368  -0.3806   6.1814  -0.4870   10.576   39.686   17.401   50.389   22.397 -10.70256 28.36181 
1 1 1    8    9   59 o  101.205   15.508   27.168   6.5576   25.238   7.7272   32.134   12.397   97.881   17.536  104.530   25.584 -6.648964 31.01694 
1 1 1    8    9   60 f   57.988   14.738   8.5791   5.5658   12.307   6.3987  -3.0107   11.282   67.244   19.331   48.733   22.253 18.51145 29.47681 
1 1 1    8    9   61 o   84.776   15.968   19.519   8.0589   39.748   11.748   1.5417   11.076  117.709   22.170   51.843   22.987 65.86582 31.93565 
1 1 1    8    9   62 o   82.253   17.084   18.149   7.3220   9.2029   9.1392   34.184   12.235   59.421   23.039  105.086   25.231 -45.66422 34.16726 
1 1 1    8    9   63 o   57.518   14.202   4.7014   6.6874   18.889   8.5366 -17.8362   10.759   79.111   22.189   35.926   17.731 43.18504 28.40335 
1 1 1    8    9   64 o   73.282   16.247   15.873   6.9901   5.5818   9.2939   29.277   10.607   51.692   21.987   94.871   23.926 -43.17908 32.49461 
1 1 1    8    9   65 o   45.896   13.905   2.8797   5.0548   0.6174   6.1891   7.4115   8.7599   38.845   17.205   52.948   21.848 -14.10310 27.80955 
1 1 1    8    9   66 o   44.005   13.697   2.2217   5.1472   1.3854   6.2557   3.9747   9.0566   39.938   17.508   48.072   21.070 -8.133266 27.39497 
1 1 1    8    9   67 o   52.310   14.793   8.4629   5.4728   8.8474   7.3061   7.9712   8.2611   52.986   20.584   51.634   21.251 1.351765 29.58532 
1 1 1    8   10    0 o  409.237   21.969  400.705   58.635  400.705   58.635  400.705   58.635  409.237   31.070  409.237   31.070 -0.000000 0.000000 
1 1 1    8   10    1 o  631.517   34.058  963.788  100.356  902.137  141.914  1025.46  141.935  610.627   49.729  652.407   46.551 -41.78064 68.11696 
1 1 1    8   10    2 o  270.653   15.449  172.758   19.467  155.332   27.511  190.231   27.549  256.859   22.918  284.447   20.723 -27.58771 30.89797 
1 1 1    8   10    3 o  598.886   31.334  861.914   87.673  886.380  123.991  837.451  123.986  607.627   43.663  590.146   44.954 17.48065 62.66839 
1 1 1    8   10    4 f  198.499   12.310   92.964   11.323  107.011   16.033   78.988   15.993  213.601   16.061  183.396   18.659 30.20525 24.61924 
1 1 1    8   10    5 o  274.097   15.703  178.075   19.890  208.740   28.147  147.492   28.110  298.002   20.210  250.193   24.040 47.80971 31.40676 
1 1 1    8   10    6 o  184.665   10.445   80.047   8.8121   79.415   13.994   80.462   11.343  183.999   16.274  185.332   13.096 -1.332870 20.88905 
1 1 1    8   10    7 o  833.634   45.638  1728.23  176.522  1953.85  249.659  1502.67  249.622  891.535   59.919  775.734   68.854 115.8006 91.27499 
1 1 1    8   10    8 o  412.143   27.339  418.214   44.701  380.660   89.397  430.733   51.617  397.006   48.182  427.279   25.848 -30.27252 54.67754 
1 1 1    8   10    9 o  171.253   15.842   84.090   9.4555   47.460   18.582   96.888   10.984  139.078   29.503  203.428   11.553 -64.34995 31.68444 
1 1 1    8   10   10 o  458.755   30.507  522.998   60.306  454.723  104.293  557.293   73.917  432.878   51.552  484.631   32.635 -51.75311 61.01400 
1 1 1    8   10   11 o  259.862   19.460  167.979   19.900  143.696   39.661  176.150   23.006  245.820   34.522  273.905   17.972 -28.08423 38.92030 
1 1 1    8   10   12 o  787.529   55.931  1618.95  190.499  1498.44  329.947  1679.20  233.316  750.623   94.054  824.436   60.554 -73.81323 111.8618 
1 1 1    8   10   13 o  251.789   19.722  156.244   21.333  133.592   36.995  167.528   26.111  236.831   33.424  266.747   20.945 -29.91656 39.44468 
1 1 1    8   10   14 o   85.614   11.215   18.710   4.2206   11.964   6.3891   23.933   5.6218   70.161   19.012  101.066   11.902 -30.90467 22.43002 
1 1 1    8   10   15 o   94.191   8.2980   20.831   3.6115   21.075   4.7780   20.506   5.5161   94.857   10.778   93.526   12.620 1.331367 16.59597 
1 1 1    8   10   16 o  397.779   20.595  373.732   37.599  363.483   48.487  389.191   59.546  391.574   26.495  403.985   31.539 -12.41055 41.19081 
1 1 1    8   10   17 o  554.395   25.826  719.394   65.990  625.564   85.170  860.331  104.383  510.660   35.687  598.130   37.341 -87.47083 51.65207 
1 1 1    8   10   18 o  477.749   38.141  593.996   70.923  621.282   81.863  511.882  142.013  509.189   34.401  446.309   68.085 62.87967 76.28198 
1 1 1    8   10   19 o  411.837   23.218  421.909   42.562  475.571   54.948  341.416   67.297  447.639   26.265  376.034   38.293 71.60486 46.43537 
1 1 1    8   10   20 o  228.435   16.017  126.313   14.367  128.936   16.463  117.935   29.424  234.282   15.036  222.588   28.285 11.69426 32.03312 
1 1 1    8   10   21 o  329.886   23.002  260.625   33.339  260.705   40.777  260.463   57.901  331.338   26.333  328.434   37.722 2.903320 46.00394 
1 1 1    8   10   22 o  424.919   23.119  435.363   45.474  367.685   64.273  503.195   64.347  390.806   35.190  459.031   29.994 -68.22507 46.23888 
1 1 1    8   10   23 o  514.070   26.352  640.570   63.308  647.092   89.510  634.042   89.552  516.791   37.061  511.350   37.473 5.440796 52.70399 
1 1 1    8   10   24 o  333.914   18.919  267.340   29.251  308.147   41.347  226.454   41.387  360.092   24.569  307.737   28.777 52.35507 37.83827 
1 1 1    8   10   25 o  393.871   22.702  373.246   41.702  345.863   58.922  400.728   59.029  378.978   33.267  408.763   30.899 -29.78540 45.40371 
1 1 1    8   10   26 o  447.088   23.114  482.819   48.224  512.105   68.177  453.496   68.221  461.117   31.636  433.059   33.708 28.05902 46.22836 
1 1 1    8   10   27 o  377.808   30.945  359.100   54.529  333.831   76.982  384.544   77.249  363.496   45.315  392.119   42.154 -28.62253 61.89030 
1 1 1    8   10   28 o  122.151   17.756   38.149   9.9045   49.202   13.458   25.090   14.629  143.775   20.029  100.527   29.325 43.24823 35.51237 
1 1 1    8   10   29 o  102.510   14.810   28.023   6.3671   19.498   11.531   31.763   7.6369   88.988   26.057  116.031   14.083 -27.04356 29.61934 
1 1 1    8   10   30 o  125.818   11.006   37.381   6.4639   38.537   9.4205   36.354   8.8855  127.630   15.794  124.006   15.332 3.624130 22.01141 
1 1 1    8   10   31 o  207.629   12.474  104.213   11.727  111.047   15.147   93.989   18.528  216.743   14.954  198.514   19.971 18.22949 24.94897 
1 1 1    8   10   32 o  388.586   18.911  368.211   33.544  373.939   43.302  359.617   53.043  394.057   23.513  383.115   29.625 10.94196 37.82158 
1 1 1    8   10   33 o  252.589   14.293  153.382   16.758  133.051   23.662  173.844   23.738  235.321   21.515  269.858   18.822 -34.53687 28.58643 
1 1 1    8   10   34 o  100.479   10.502   23.927   4.9261   22.403   6.8532   25.557   7.0858   97.146   15.095  103.812   14.605 -6.665794 21.00355 
1 1 1    8   10   35 o   78.903   11.756   15.412   4.2754   18.869   5.9327   11.676   6.1668   89.165   14.237   68.641   18.711 20.52383 23.51124 
1 1 1    8   10   36 f  266.721   23.160  180.255   28.862  186.098   41.180  174.613   40.463  271.129   32.499  262.313   33.006 8.816620 46.32031 
1 1 1    8   10   37 o  109.455   14.020   30.191   6.7477   32.826   8.6662   26.135   10.753  117.299   15.809  101.611   23.160 15.68719 28.04094 
1 1 1    8   10   38 o  156.901   16.944   59.019   12.425   59.019   12.425   0.0000   0.0000  156.901   16.944  ?   ?       ?      ? 
1 1 1    8   10   39 o  193.671   12.002   90.196   10.850   93.173   15.155   87.066   15.539  197.112   16.451  190.230   17.479 6.882675 24.00315 
1 1 1    8   10   40 o  115.400   12.098   33.499   5.8818   17.806   8.0596   51.382   8.6033   83.765   20.706  147.036   12.520 -63.27060 24.19652 
1 1 1    8   10   41 o  204.706   12.440  107.755   11.114  128.251   14.414   77.707   17.453  231.783   13.307  177.629   21.023 54.15404 24.88064 
1 1 1    8   10   42 o  265.634   13.180  166.412   16.102  140.043   20.706  206.763   25.613  239.939   18.465  291.329   18.812 -51.38925 26.36006 
1 1 1    8   10   43 o  357.708   18.822  320.077   30.961  301.961   39.935  347.371   49.018  347.198   24.612  368.217   28.485 -21.01971 37.64448 
1 1 1    8   10   44 o   61.193   13.418   9.9224   4.8950   14.288   5.5427  -5.5491   10.435   75.518   16.191   46.868   21.402 28.64952 26.83603 
1 1 1    8   10   45 o   99.523   16.388   24.941   7.0572   23.306   8.4892   28.601   12.698   95.579   19.661  103.467   26.225 -7.887505 32.77633 
1 1 1    8   10   46 o  121.717   14.837   36.427   7.9410   33.954   9.8672   40.971   13.379  117.760   17.929  125.673   23.646 -7.912941 29.67469 
1 1 1    8   10   47 o   97.393   15.031   21.939   6.7911   13.562   8.5094   36.634   11.270   73.080   22.609  121.706   19.814 -48.62637 30.06281 
1 1 1    8   10   48 o   59.060   15.879   6.6309   6.2295   9.7357   7.8280   1.2691   10.287   64.050   21.827   54.070   23.068 9.979706 31.75823 
1 1 1    8   10   49 o   96.845   17.123   26.103   7.7175   30.076   9.6159   18.911   12.937  108.724   19.647   84.966   28.049 23.75809 34.24589 
1 1 1    8   10   50 o   92.218   14.746   16.635   5.6776   10.458   6.4630   37.515   11.883   64.285   19.673  120.151   21.972 -55.86646 29.49242 
1 1 1    8   10   51 o  201.096   17.077  107.677   13.314  111.440   15.334   96.154   26.837  214.041   15.329  188.152   30.520 25.88943 34.15376 
1 1 1    8   10   52 f  128.088   19.573   44.906   11.678   57.476   16.937   33.516   16.123  148.192   24.455  107.984   30.568 40.20789 39.14617 
1 1 1    8   10   53 o  163.755   19.103   67.601   14.620   67.601   14.620   0.0000   0.0000  163.755   19.103  ?   ?       ?      ? 
1 1 1    8   10   54 o   69.851   21.561   12.823   7.7438   12.823   7.7438   0.0000   0.0000   69.851   21.561  ?   ?       ?      ? 
1 1 1    8   10   55 o   97.098   22.705   25.646   10.119   25.646   10.119   0.0000   0.0000   97.098   22.705  ?   ?       ?      ? 
1 1 1    8   10   56 o   65.605   16.918   9.1908   6.2907   6.4379   7.4862   15.805   11.604   55.079   20.980   76.131   26.548 -21.05130 33.83670 
1 1 1    8   10   57 o   57.030   15.589   4.0709   6.7296   13.729   9.4572  -5.8353   9.5782   71.180   23.993   42.879   19.910 28.30107 31.17795 
1 1 1    8   10   58 o   49.427   14.808   1.8030   6.0425   6.2021   8.8898  -1.9748   8.2381   55.843   22.386   43.010   19.390 12.83307 29.61643 
1 1 1    8   10   59 o   43.637   13.630  -0.8440   5.6047   2.7448   6.9499  -7.5194   9.4785   46.534   19.352   40.741   19.201 5.792923 27.26092 
1 1 1    8   10   60 o   52.891   15.104   4.7244   6.0651   9.2401   8.2782  -0.5088   8.9116   59.913   22.222   45.869   20.462 14.04342 30.20790 
1 1 1    8   10   61 o   76.774   17.478   17.178   6.9629   12.950   8.6842   24.788   11.651   66.203   22.973   87.345   26.347 -21.14227 34.95577 
1 1 1    8   10   62 o   75.208   17.752   14.212   8.1217   31.149   12.920   3.1459   10.443   98.074   27.224   52.343   22.792 45.73148 35.50484 
1 1 1    8   10   63 o   63.518   15.919   9.2781   6.3276   1.5869   7.9170   22.879   10.528   44.560   19.611   82.476   25.082 -37.91561 31.83897 
1 1 1    8   10   64 o   56.389   15.321   9.2824   5.9745   12.551   7.6943   4.3192   9.4811   62.993   21.637   49.785   21.696 13.20812 30.64129 
1 1 1    8   10   65 o   44.232   13.462   1.7012   5.5326   7.3811   7.2178  -6.3900   8.6148   51.566   20.333   36.898   17.650 14.66806 26.92491 
1 1 1    8   10   66 o   43.901   13.547   1.1317   5.7087   7.6695   7.7626  -6.5688   8.4246   51.790   20.863   36.011   17.286 15.77883 27.09378 
1 1 1    8   10   67 o   46.321   14.880   3.2193   6.5953   5.1112   11.774   2.3542   7.9617   49.683   22.705   42.959   19.239 6.723278 29.75987 
1 1 1    8   11    0 o  676.296   36.825  1107.96  162.359  1107.96  162.359  1107.96  162.359  676.296   52.079  676.296   52.079 -0.000000 0.000000 
1 1 1    8   11    1 o  231.385   13.713  125.832   14.820  120.671   20.947  131.003   20.970  226.609   19.779  236.162   18.999 -9.553009 27.42600 
1 1 1    8   11    2 o  510.942   32.094  605.213   73.307  706.984  126.988  554.347   89.776  540.303   50.290  481.581   39.888 58.72153 64.18851 
1 1 1    8   11    3 o  773.700   47.808  1433.69  165.369  1692.44  286.472  1304.37  202.519  818.610   74.879  728.791   59.459 89.81903 95.61552 
1 1 1    8   11    4 o  483.625   29.216  530.895   63.402  666.518  109.873  463.191   77.630  526.534   44.650  440.715   37.690 85.81982 58.43119 
1 1 1    8   11    5 o  651.273   36.575  958.309  106.978  1314.60  185.378  780.412  130.990  734.624   53.995  567.923   49.352 166.7007 73.15094 
1 1 1    8   11    6 o  527.993   30.249  660.223   74.642   0.0000   0.0000  660.223   74.642  ?   ?   527.993   30.249      ?      ? 
1 1 1    8   11    7 o  523.938   34.298  655.210   72.909  682.767  145.865  646.031   84.180  526.756   59.251  521.119   34.564 5.637573 68.59589 
1 1 1    8   11    8 o  279.209   24.602  183.900   32.102   0.0000   0.0000  183.900   32.102  ?   ?   279.209   24.602      ?      ? 
1 1 1    8   11    9 o  614.324   69.746  954.015  200.243   0.0000   0.0000  954.015  200.243  ?   ?   614.324   69.746      ?      ? 
1 1 1    8   11   10 o  594.479   67.648  894.375  187.946   0.0000   0.0000  894.375  187.946  ?   ?   594.479   67.648      ?      ? 
1 1 1    8   11   11 o  299.849   23.611  214.668   33.073  222.662   46.975  206.810   46.573  305.477   32.904  294.221   33.870 11.25644 47.22110 
1 1 1    8   11   12 o  317.569   24.500  241.525   36.310  257.287   51.552  226.007   51.151  328.076   33.622  307.061   35.644 21.01575 48.99940 
1 1 1    8   11   13 o  599.108   51.583  931.800  144.051  862.365  203.821  1001.10  203.617  574.302   75.939  623.915   69.831 -49.61359 103.1653 
1 1 1    8   11   14 o  695.458   55.351  1275.30  179.406  1373.55  253.844  1177.24  253.592  725.614   74.855  665.302   81.559 60.31219 110.7029 
1 1 1    8   11   15 o  152.992   12.650   55.884   8.8123   41.276   12.396   70.810   12.530  132.344   20.041  173.639   15.441 -41.29530 25.29963 
1 1 1    8   11   16 o  443.358   21.950  461.324   44.823  426.494   57.833  513.717   70.931  423.266   29.236  463.450   32.749 -40.18375 43.90008 
1 1 1    8   11   17 o   85.343   9.4956   17.526   3.5519   18.031   4.4979   16.690   5.7893   87.722   10.971   82.963   15.501 4.758987 18.99110 
1 1 1    8   11   18 o  299.644   17.254  202.867   21.180  192.960   24.358  233.574   42.885  286.254   18.208  313.033   29.314 -26.77859 34.50832 
1 1 1    8   11   19 o  221.344   10.855  114.318   11.030  111.020   14.224  119.293   17.468  217.471   13.995  225.218   16.596 -7.747375 21.70904 
1 1 1    8   11   20 o  248.383   18.219  150.280   17.870  153.831   20.549  139.261   36.198  255.656   17.198  241.111   32.123 14.54515 36.43758 
1 1 1    8   11   21 o  370.827   23.772  317.704   39.400  288.548   48.186  376.523   68.441  347.375   29.681  394.279   37.142 -46.90402 47.54489 
1 1 1    8   11   22 o  307.648   18.599  219.212   25.409  206.382   31.001  245.470   44.351  295.104   22.478  320.192   29.638 -25.08762 37.19787 
1 1 1    8   11   23 o  362.795   21.427  298.127   34.861  378.313   60.557  258.382   42.635  396.547   32.676  329.043   27.725 67.50323 42.85307 
1 1 1    8   11   24 o   72.684   14.543   11.739   4.0739   11.439   4.4149   13.463   10.572   68.508   14.253   76.860   25.355 -8.352013 29.08658 
1 1 1    8   11   25 o  249.521   13.362  147.534   15.241  148.312   19.648  146.360   24.149  250.679   16.771  248.362   20.806 2.317307 26.72311 
1 1 1    8   11   26 o  338.992   18.984  260.732   26.595  243.537   30.654  313.066   53.478  319.894   20.504  358.090   31.955 -38.19534 37.96778 
1 1 1    8   11   27 o  359.467   27.212  338.698   37.972  354.282   43.808  291.617   76.143  383.981   24.412  334.953   48.641 49.02811 54.42331 
1 1 1    8   11   28 o  236.564   20.872  136.390   23.070  137.854   32.381  134.882   32.875  237.985   29.114  235.144   29.915 2.841293 41.74356 
1 1 1    8   11   29 o  225.035   17.173  126.557   16.593  108.841   28.767  135.390   20.313  211.349   29.124  238.720   18.207 -27.37077 34.34654 
1 1 1    8   11   30 o  313.524   18.130  238.663   26.374  270.452   37.297  206.871   37.300  335.221   23.807  291.828   27.349 43.39310 36.25904 
1 1 1    8   11   31 o  276.524   14.953  183.444   19.289  195.418   27.235  171.391   27.324  285.832   20.388  267.217   21.880 18.61469 29.90631 
1 1 1    8   11   32 o   74.070   10.692   12.643   3.6136   9.1037   4.6515   18.031   5.7389   60.841   16.106   87.299   14.066 -26.45734 21.38384 
1 1 1    8   11   33 o  169.443   18.107   71.333   13.810   58.045   19.291   85.299   19.778  151.221   28.337  187.665   22.550 -36.44373 36.21445 
1 1 1    8   11   34 o   78.556   11.365   15.112   4.0996   12.058   5.8064   18.148   5.7890   69.665   17.776   87.447   14.165 -17.78133 22.72925 
1 1 1    8   11   35 o  254.853   21.079  162.572   24.948  185.307   35.737  140.959   34.844  273.246   27.985  236.461   31.530 36.78497 42.15818 
1 1 1    8   11   36 f   96.294   12.864   21.972   5.7893   21.972   5.7893   0.0000   0.0000   96.294   12.864  ?   ?       ?      ? 
1 1 1    8   11   37 f  200.910   16.358  101.788   14.319  108.115   17.723   89.896   24.298  212.040   17.885  189.779   27.395 22.26137 32.71637 
1 1 1    8   11   38 o   95.198   13.367   23.916   5.6576   15.441   8.7969   29.895   7.3883   78.371   22.706  112.024   14.112 -33.65253 26.73370 
1 1 1    8   11   39 o  102.513   11.251   25.932   5.1758   29.386   7.1000   22.015   7.5610  111.009   13.685   94.017   17.861 16.99164 22.50130 
1 1 1    8   11   40 o   53.156   12.535   6.4570   3.5663   6.1408   4.5078   6.9860   5.8309   51.037   16.542   55.274   18.838 -4.237068 25.07053 
1 1 1    8   11   41 o   84.327   11.214   17.585   4.2382   18.344   5.5280   16.501   6.6012   87.647   13.495   81.007   17.912 6.640259 22.42715 
1 1 1    8   11   42 o   40.487   11.630   1.8553   3.2502   2.0039   3.9131   1.5247   5.8362   37.897   14.962   43.077   17.809 -5.180458 23.26007 
1 1 1    8   11   43 o  184.354   11.540   82.463   9.7200   83.242   12.546   81.293   15.374  186.146   14.421  182.561   18.019 3.585464 23.07906 
1 1 1    8   11   44 o   47.239   12.942   3.0577   4.5739   7.2611   5.2205 -10.8287   9.4887   54.973   17.800   39.505   18.792 15.46843 25.88445 
1 1 1    8   11   45 o   65.758   14.466   10.696   5.9415   17.620   7.2004  -4.0784   10.518   83.118   18.956   48.397   21.856 34.72079 28.93112 
1 1 1    8   11   46 o  110.822   12.201   29.965   6.3183   29.278   8.8942   30.665   8.9771  109.506   17.379  112.138   17.129 -2.632736 24.40180 
1 1 1    8   11   47 o  203.025   17.362  104.379   15.382  105.787   26.965  103.700   18.728  201.027   28.701  205.022   19.545 -3.994888 34.72442 
1 1 1    8   11   48 o  189.920   13.165   88.914   11.675   85.551   16.612   92.196   16.411  186.114   19.099  193.725   18.126 -7.611588 26.33091 
1 1 1    8   11   49 o   61.871   14.113   9.3123   4.5808   8.3176   5.9321   10.782   7.2098   58.290   18.982   65.452   20.890 -7.161583 28.22579 
1 1 1    8   11   50 o   53.755   13.887   4.2310   5.1400   11.357   7.2896  -2.8153   7.2487   67.027   20.957   40.483   18.226 26.54363 27.77349 
1 1 1    8   11   51 o   82.913   14.897   18.113   5.7936   19.388   8.1173   16.790   8.2716   86.058   20.479   79.769   21.639 6.289085 29.79317 
1 1 1    8   11   52 o  144.832   12.818   52.464   8.6686   49.959   12.238   54.988   12.281  141.135   18.554  148.529   17.692 -7.394363 25.63648 
1 1 1    8   11   53 o   43.079   20.180  -8.0326   10.199  -8.0326   10.199   0.0000   0.0000   43.079   20.180  ?   ?       ?      ? 
1 1 1    8   11   54 o  199.159   20.291  102.010   18.887  102.010   18.887   0.0000   0.0000  199.159   20.291  ?   ?       ?      ? 
1 1 1    8   11   55 o   44.364   13.504  -0.3780   5.4206   4.3096   6.7242  -9.0776   9.1604   49.557   19.599   39.171   18.584 10.38607 27.00889 
1 1 1    8   11   56 o   73.490   16.614   14.858   6.7926   19.521   9.0141   8.7313   10.333   84.137   22.491   62.842   24.460 21.29475 33.22881 
1 1 1    8   11   57 o  152.493   18.057   68.832   11.698   77.624   14.926   54.835   18.833  172.875   18.475  132.112   31.031 40.76303 36.11403 
1 1 1    8   11   58 o   70.300   15.546   14.065   6.0980   18.572   7.8027   6.9943   9.7744   82.178   20.409   58.421   23.455 23.75696 31.09111 
1 1 1    8   11   59 o   84.130   15.231   18.173   7.2238   3.0672   9.6960   37.019   10.830   52.169   22.330  116.092   20.721 -63.92306 30.46262 
1 1 1    8   11   60 o   62.486   17.495   9.4602   7.2350   14.976   12.513   6.6900   8.8675   70.009   27.009   54.962   22.243 15.04754 34.98974 
1 1 1    8   11   61 o   45.812   14.200  -0.5889   6.1234   5.6413   8.6699  -6.7902   8.6497   53.198   21.818   38.426   18.181 14.77186 28.39993 
1 1 1    8   11   62 o   50.435   14.265   3.0377   5.6271  -4.3302   7.5602   12.189   8.4257   37.275   17.434   63.595   22.584 -26.32053 28.53007 
1 1 1    8   11   63 o   44.706   18.655   3.6476   6.4893   3.6476   6.4893   0.0000   0.0000   44.706   18.655  ?   ?       ?      ? 
1 1 1    8   11   64 o   58.095   15.976   10.145   7.1221  -1.2848   11.994   16.370   8.8516   46.944   21.957   69.246   23.212 -22.30233 31.95196 
1 1 1    8   11   65 o   37.012   12.141  -3.0784   4.9255  -5.9296   6.3864   1.1071   7.7379   31.623   15.145   42.401   18.980 -10.77825 24.28168 
1 1 1    8   11   66 o   58.434   14.964   9.6886   6.3900  -2.0772   9.0590   21.340   9.0149   40.282   18.918   76.586   23.192 -36.30467 29.92884 
1 1 1    8   12    2 o  496.822   55.562  608.351  129.010  608.351  129.010   0.0000   0.0000  496.822   55.562  ?   ?       ?      ? 
1 1 1    8   12    3 o  270.982   31.327  174.634   39.674  174.634   39.674   0.0000   0.0000  270.982   31.327  ?   ?       ?      ? 
1 1 1    8   12    4 o  356.114   39.965  305.109   66.513  305.109   66.513   0.0000   0.0000  356.114   39.965  ?   ?       ?      ? 
1 1 1    8   12    5 o  181.831   16.242   78.011   13.800   79.707   19.728   76.386   19.310  183.766   22.971  179.896   22.968 3.869415 32.48364 
1 1 1    8   12    6 o  369.286   25.093  331.015   40.512  339.910   49.678  313.358   69.996  378.464   28.086  360.108   41.591 18.35620 50.18603 
1 1 1    8   12    7 o  189.071   16.360   84.385   14.431   91.320   20.690   77.815   20.139  196.686   22.508  181.456   23.748 15.22987 32.71997 
1 1 1    8   12    8 o  516.280   58.445  666.511  141.019  666.511  141.019   0.0000   0.0000  516.280   58.445  ?   ?       ?      ? 
1 1 1    8   12    9 o  519.219   39.489  671.525   95.503  731.933  135.198  611.358  134.927  544.031   53.174  494.408   58.394 49.62302 78.97726 
1 1 1    8   12   10 o  129.434   13.911   41.461   7.4717   36.519   13.178   43.803   9.0708  122.240   23.923  136.628   14.206 -14.38763 27.82294 
1 1 1    8   12   11 o  114.410   12.734   31.456   6.2484   30.729   10.717   31.831   7.6908  112.350   21.188  116.470   14.129 -4.120399 25.46710 
1 1 1    8   12   12 o  107.132   12.556   27.785   5.7289   26.518   9.9127   28.420   7.0201  104.200   21.079  110.064   13.648 -5.864632 25.11168 
1 1 1    8   12   13 o  530.676   48.353  731.877  117.642  583.508  166.443  879.991  166.300  470.881   75.633  590.470   60.263 -119.5895 96.70559 
1 1 1    8   12   14 o  629.462   45.185  998.606  125.576  1054.44  217.608  970.732  153.761  633.850   73.459  625.075   52.635 8.775391 90.36946 
1 1 1    8   12   15 o  282.186   22.667  207.417   26.587  148.156   45.790  237.555   32.655  247.318   39.616  317.054   22.038 -69.73541 45.33345 
1 1 1    8   12   16 o  418.352   19.710  408.291   38.010  465.397   60.088  370.198   49.077  441.928   29.094  394.775   26.600 47.15338 39.42073 
1 1 1    8   12   17 o  556.480   30.258  755.084   78.692  757.966  111.233  752.197  111.341  557.601   42.684  555.360   42.898 2.241394 60.51613 
1 1 1    8   12   18 o  622.249   33.199  937.263   95.196  1057.86  150.518  856.864  122.898  653.346   49.295  591.152   44.484 62.19391 66.39886 
1 1 1    8   12   19 o  700.344   52.888  1349.96  158.391  1419.56  193.953  1210.59  274.443  748.935   55.413  651.752   90.100 97.18262 105.7765 
1 1 1    8   12   20 o  740.288   48.835  1416.36  145.818  1381.44  168.346  1521.28  291.792  744.776   48.365  735.801   84.853 8.974548 97.66945 
1 1 1    8   12   21 o  320.084   25.959  248.551   38.753  230.060   54.659  267.241   54.953  307.689   38.011  332.480   35.366 -24.79126 51.91887 
1 1 1    8   12   22 o  789.753   62.516  1743.40  217.978  1657.20  266.919  1915.99  377.688  784.457   72.806  795.048  101.648 -10.59094 125.0319 
1 1 1    8   12   23 f  516.800   30.462  664.050   73.572  668.509  104.084  659.597  104.008  518.633   42.942  514.966   43.216 3.666138 60.92323 
1 1 1    8   12   24 o  225.036   16.241  124.096   14.339  126.938   16.446  115.090   29.278  231.939   15.172  218.133   28.720 13.80522 32.48117 
1 1 1    8   12   25 o  317.168   25.069  242.001   37.160  242.001   37.160   0.0000   0.0000  317.168   25.069  ?   ?       ?      ? 
1 1 1    8   12   26 o  204.791   16.589  107.910   12.939  114.291   14.833   87.593   26.467  220.045   14.423  189.537   29.879 30.50800 33.17760 
1 1 1    8   12   27 o  304.575   28.224  259.919   33.609  301.945   41.137  175.548   58.287  354.059   24.861  255.090   50.678 98.96848 56.44703 
1 1 1    8   12   28 o  298.617   19.229  203.711   25.725  175.009   31.403  262.263   44.853  269.383   24.944  327.852   29.273 -58.46902 38.45892 
1 1 1    8   12   29 f  204.012   12.929   99.112   12.303  106.612   17.457   91.712   17.341  211.813   17.635  196.210   18.910 15.60284 25.85711 
1 1 1    8   12   30 o   78.916   14.115   16.950   4.6017   18.621   5.0846   9.3846   10.818   88.874   12.242   68.958   25.438 19.91633 28.23060 
1 1 1    8   12   31 o  243.465   14.124  142.215   16.053  134.010   22.594  150.580   22.813  236.215   20.467  250.716   19.470 -14.50098 28.24819 
1 1 1    8   12   32 o  132.403   21.105   42.329   13.059   0.0000   0.0000   42.329   13.059  ?   ?   132.403   21.105      ?      ? 
1 1 1    8   12   33 o  154.017   13.337   56.558   9.2740   58.594   15.329   55.382   11.647  155.671   21.070  152.363   16.357 3.308182 26.67386 
1 1 1    8   12   34 o  251.265   30.979  158.913   36.378   0.0000   0.0000  158.913   36.378  ?   ?   251.265   30.979      ?      ? 
1 1 1    8   12   35 f  243.528   16.955  145.621   16.713  145.828   19.367  145.016   33.079  246.814   16.790  240.241   29.462 6.573929 33.91021 
1 1 1    8   12   36 o  141.895   11.755   46.513   6.9745   44.472   8.1290   52.204   13.578  136.943   12.701  146.847   19.784 -9.904221 23.51018 
1 1 1    8   12   37 o  123.640   10.826   36.520   6.2206   31.586   8.6230   41.875   8.9825  114.795   16.073  132.485   14.507 -17.69054 21.65179 
1 1 1    8   12   38 o   60.663   11.983   8.7136   3.7222   4.6962   5.0742   13.394   5.4769   48.085   17.470   73.242   16.408 -25.15720 23.96670 
1 1 1    8   12   39 o  114.232   12.449   31.206   6.4935   33.774   10.515   29.622   8.2559  117.596   19.132  110.868   15.934 6.728371 24.89820 
1 1 1    8   12   40 o  138.910   9.9384   44.955   6.3644   38.769   8.2259   54.182   10.046  127.365   13.820  150.454   14.287 -23.08956 19.87680 
1 1 1    8   12   41 o  115.132   15.797   39.742   6.6396   44.437   7.5013   22.754   14.268  136.780   11.735   93.484   29.335 43.29594 31.59487 
1 1 1    8   12   42 f   81.415   13.107   13.839   4.5095   9.8203   5.2314   25.461   8.8964   62.575   17.307  100.256   19.690 -37.68129 26.21470 
1 1 1    8   12   43 o  235.874   13.204  134.911   14.328  126.339   18.470  147.870   22.707  227.387   17.380  244.360   19.884 -16.97220 26.40879 
1 1 1    8   12   44 o  117.819   14.758   35.953   6.7859   36.889   7.8603   33.211   13.446  123.954   13.569  111.684   26.212 12.27097 29.51539 
1 1 1    8   12   45 o  142.452   18.537   61.377   10.746   75.484   13.141   32.911   18.667  176.434   15.937  108.469   33.475 67.96451 37.07472 
1 1 1    8   12   46 o  175.185   12.622   75.082   10.303   82.405   14.706   68.022   14.439  183.894   17.112  166.476   18.559 17.41791 25.24365 
1 1 1    8   12   47 f  182.881   12.874   82.157   11.002   82.251   15.694   82.067   15.428  182.908   18.359  182.853   18.054 0.5546570E-01 25.74878 
1 1 1    8   12   48 o  125.312   10.853   37.818   6.2460   35.943   8.0374   40.676   9.9244  121.834   14.116  128.790   16.488 -6.955757 21.70531 
1 1 1    8   12   49 o   73.052   13.573   12.076   5.2300   23.688   8.0990   3.7700   6.8496   96.461   18.640   49.643   19.734 46.81731 27.14530 
1 1 1    8   12   50 f   52.461   12.100   2.8534   4.6197  -8.9811   6.6720   13.752   6.4029   31.990   15.363   72.931   18.698 -40.94090 24.19943 
1 1 1    8   12   51 o   54.887   15.701   4.7595   6.0195   5.4911   7.3307   3.2451   10.547   53.565   20.671   56.209   23.640 -2.643806 31.40276 
1 1 1    8   12   52 o  159.383   17.485   68.354   11.727   69.290   14.316   66.443   20.445  165.986   18.454  152.780   29.704 13.20573 34.96955 
1 1 1    8   12   53 o   83.906   19.049   18.993   8.4970   14.440   11.206   25.153   13.033   74.116   26.074   93.695   27.777 -19.57940 38.09724 
1 1 1    8   12   54 o   54.030   16.178  -0.0353   6.5167   10.657   12.419  -4.0982   7.6554   68.455   26.768   39.604   18.176 28.85095 32.35609 
1 1 1    8   12   55 o   47.285   13.478   3.3834   4.6203   1.8664   6.7609   4.7127   6.3287   45.108   18.947   49.461   19.173 -4.353249 26.95536 
1 1 1    8   12   56 o   60.432   14.650   9.3765   5.4927   1.5075   9.2354   13.683   6.8324   49.857   21.571   71.006   19.829 -21.14927 29.29963 
1 1 1    8   12   57 o   77.999   15.395   16.770   5.8448   20.544   8.7756   13.762   7.8357   85.580   21.862   70.418   21.681 15.16217 30.78943 
1 1 1    8   12   58 o   80.426   18.749   19.289   8.0814   19.434   12.919   19.195   10.358   80.062   28.006   80.790   24.936 -0.7283936 37.49860 
1 1 1    8   12   59 o   40.893   13.194  -2.5768   5.6087  -0.9842   8.0194  -4.1017   7.8473   42.844   19.240   38.941   18.060 3.903252 26.38839 
1 1 1    8   12   60 o   63.893   16.411   11.330   6.3268   14.557   9.5941   8.8461   8.4161   69.511   24.145   58.275   22.233 11.23565 32.82191 
1 1 1    8   12   61 o   65.134   16.830   12.594   6.6975   14.099   9.4920   11.101   9.4514   67.928   23.987   62.340   23.614 5.587917 33.66005 
1 1 1    8   12   62 o   47.438   14.444   3.4993   5.7997   4.3839   8.3592   2.6784   8.0534   48.873   20.822   46.003   20.023 2.869522 28.88704 
1 1 1    8   12   63 o   66.091   12.913   13.855   5.6121   23.591   7.0294  -3.2609   9.3199   90.976   17.162   41.207   19.299 49.76915 25.82646 
1 1 1    8   12   64 o   42.104   13.416  -0.1077   5.6753   3.8112   8.1150  -3.8596   7.9402   46.666   20.205   37.542   17.657 9.123962 26.83290 
1 1 1    8   12   65 o   59.439   16.054   12.403   6.2423   13.447   8.5114   11.188   9.1828   61.663   22.592   57.214   22.815 4.448898 32.10807 
1 1 1    8   13    0 o  163.355   17.606   66.899   17.698   66.899   17.698   66.899   17.698  163.355   24.898  163.355   24.898 -0.000000 0.000000 
1 1 1    8   13    1 o  174.113   22.726   71.596   18.493   71.596   18.493   0.0000   0.0000  174.113   22.726  ?   ?       ?      ? 
1 1 1    8   13    2 o  342.319   27.336  282.436   43.698  269.680   61.786  295.203   61.810  334.344   39.541  350.293   37.756 -15.94962 54.67185 
1 1 1    8   13    3 o  227.604   27.227  122.918   28.962   0.0000   0.0000  122.918   28.962  ?   ?   227.604   27.227      ?      ? 
1 1 1    8   13    4 o  126.102   13.297   39.867   7.0143   32.791   11.933   43.603   8.6704  115.865   22.848  136.338   13.608 -20.47272 26.59331 
1 1 1    8   13    5 o  410.774   29.506  427.716   51.723  356.578   89.614  463.252   63.338  380.644   50.375  440.904   30.738 -60.26001 59.01252 
1 1 1    8   13    6 o  368.151   25.716  331.123   41.222  309.310   71.463  342.000   50.464  356.969   42.836  379.332   28.465 -22.36380 51.43147 
1 1 1    8   13    7 f  1040.52   63.408  2747.40  308.347   0.0000   0.0000  2747.40  308.347  ?   ?   1040.52   63.408      ?      ? 
1 1 1    8   13    8 o  704.275   49.525  1309.05  150.398  1196.81  260.461  1365.19  184.213  666.685   83.595  741.865   53.132 -75.17932 99.05081 
1 1 1    8   13    9 o  737.070   42.975  1363.47  127.352  1392.75  254.744  1353.71  147.046  727.703   74.904  746.437   42.152 -18.73401 85.95030 
1 1 1    8   13   10 o  217.684   16.927  112.472   16.148  111.317   28.151  113.039   19.714  216.353   27.841  219.015   19.260 -2.662384 33.85352 
1 1 1    8   13   11 o  258.806   19.533  166.756   21.639  139.157   37.443  180.596   26.515  240.958   33.250  276.654   20.507 -35.69644 39.06519 
1 1 1    8   13   12 o  261.959   18.931  165.296   21.709  156.345   37.448  169.827   26.642  255.745   31.332  268.173   21.257 -12.42744 37.86222 
1 1 1    8   13   13 o  395.732   24.168  379.789   38.362  368.055   76.719  383.701   44.298  388.846   42.216  402.617   23.542 -13.77054 48.33687 
1 1 1    8   13   14 o  294.832   25.198  234.008   29.342  157.179   50.665  272.781   35.992  250.075   45.006  339.589   22.678 -89.51414 50.39658 
1 1 1    8   13   15 o  366.034   24.688  341.718   35.201  286.238   70.387  360.222   40.649  341.844   44.058  390.224   22.289 -48.37979 49.37516 
1 1 1    8   13   16 o  483.809   27.055  568.501   61.131  544.284   86.366  592.817   86.540  473.096   39.062  494.522   37.445 -21.42621 54.11016 
1 1 1    8   13   17 o  348.951   19.200  290.688   31.254  310.872   44.240  270.576   44.161  361.299   26.200  336.603   28.072 24.69638 38.39926 
1 1 1    8   13   18 o  222.269   11.998  114.606   12.283  126.543   19.419  106.646   15.858  231.664   17.936  212.873   15.940 18.79092 23.99511 
1 1 1    8   13   19 o  220.201   13.052  114.538   13.387  103.232   18.837  126.077   19.029  209.113   19.275  231.290   17.605 -22.17773 26.10433 
1 1 1    8   13   20 o  403.384   24.265  395.027   45.471  443.124   64.305  346.930   64.305  428.897   32.081  377.871   36.413 51.02521 48.52962 
1 1 1    8   13   21 o  515.522   26.110  652.394   62.773  605.227   88.726  699.665   88.822  495.937   38.281  535.107   35.517 -39.16995 52.21968 
1 1 1    8   13   22 f  230.053   14.917  117.920   15.406  157.168   26.741   98.420   18.849  256.599   22.299  203.506   19.818 53.09306 29.83305 
1 1 1    8   13   23 o  300.937   19.617  212.768   26.244  199.114   32.042  240.594   45.741  288.096   23.798  313.778   31.192 -25.68216 39.23365 
1 1 1    8   13   24 o  324.912   26.342  280.015   32.867  296.323   37.896  230.516   66.023  351.587   23.063  298.238   47.368 53.34842 52.68460 
1 1 1    8   13   25 o  392.492   28.034  386.945   48.302  384.999   59.121  390.853   83.765  395.995   31.945  388.989   46.077 7.005981 56.06751 
1 1 1    8   13   26 o  229.772   19.808  135.611   19.206  148.572   23.442  109.147   33.498  249.587   20.097  209.957   34.139 39.63045 39.61504 
1 1 1    8   13   27 o  538.962   32.761  699.831   79.202  554.041   96.919  992.927  137.419  462.647   44.824  615.277   47.790 -152.6295 65.52151 
1 1 1    8   13   28 o   46.392   11.412   3.3996   3.5863  -3.2005   5.5122   8.2437   4.7224   34.581   15.699   58.204   16.567 -23.62321 22.82362 
1 1 1    8   13   29 o  204.256   11.265   96.228   10.588   82.923   13.605  116.660   16.859  186.939   15.572  221.574   16.281 -34.63472 22.52921 
1 1 1    8   13   30 o  308.833   24.104  247.517   32.052  222.608   55.566  259.937   39.237  291.794   40.746  325.872   25.764 -34.07764 48.20803 
1 1 1    8   13   31 o  323.941   18.383  258.110   27.824  264.277   39.321  251.927   39.376  328.032   25.649  319.851   26.342 8.181152 36.76618 
1 1 1    8   13   32 o   69.948   23.584   11.320   9.1382   11.320   9.1382   0.0000   0.0000   69.948   23.584  ?   ?       ?      ? 
1 1 1    8   13   33 o  182.685   24.651   81.913   21.047   81.913   21.047   0.0000   0.0000  182.685   24.651  ?   ?       ?      ? 
1 1 1    8   13   34 o  114.113   14.880   31.028   7.9356   31.028   7.9356   0.0000   0.0000  114.113   14.880  ?   ?       ?      ? 
1 1 1    8   13   35 o  166.643   13.587   64.539   10.130   58.672   12.409   76.262   17.541  156.345   16.983  176.941   21.213 -20.59557 27.17336 
1 1 1    8   13   36 o  115.448   15.987   33.212   8.2046   30.593   10.613   37.103   12.935  110.179   21.382  120.716   23.774 -10.53658 31.97425 
1 1 1    8   13   37 o   44.547   13.045   2.2217   3.7969   2.9209   4.2221  -0.7346   8.6815   41.270   15.747   47.823   20.802 -6.553322 26.09016 
1 1 1    8   13   38 o   47.412   12.574   4.1787   3.7567   4.8436   5.5911   3.6314   5.0723   49.482   18.281   45.342   17.269 4.140156 25.14811 
1 1 1    8   13   39 o  141.826   11.549   48.520   7.6467   47.086   10.959   49.881   10.675  139.660   16.790  143.992   15.863 -4.332626 23.09817 
1 1 1    8   13   40 o  167.715   10.977   68.590   8.3520   72.058   10.778   63.378   13.214  173.740   13.274  161.689   17.486 12.05049 21.95360 
1 1 1    8   13   41 o   58.528   12.665   7.9368   3.6351   6.7154   4.4578   10.361   6.2798   52.640   16.377   64.415   19.323 -11.77484 25.32954 
1 1 1    8   13   42 o  106.547   14.735   26.949   6.6775   23.057   8.0042   35.860   12.110   95.419   18.618  117.675   22.844 -22.25668 29.46954 
1 1 1    8   13   43 o   91.957   15.020   20.741   6.0179   18.529   7.3004   25.430   10.630   85.320   18.814   98.593   23.418 -13.27335 30.03937 
1 1 1    8   13   44 o   66.503   15.219   9.8800   4.5936   9.1821   5.1285   12.712   10.330   60.536   17.276   72.470   25.060 -11.93390 30.43841 
1 1 1    8   13   45 o   49.082   14.948  -0.4135   6.4269  -6.7180   10.192   3.7488   8.2810   45.011   20.772   53.153   21.501 -8.141598 29.89583 
1 1 1    8   13   46 o   57.668   13.439   7.2508   4.6659   12.595   6.4001   1.1878   6.8167   70.250   19.025   45.086   18.986 25.16329 26.87750 
1 1 1    8   13   47 o  116.910   11.851   35.481   5.9558   41.266   7.7699   27.239   9.2737  130.984   12.693  102.835   20.016 28.14913 23.70127 
1 1 1    8   13   48 o  192.624   12.423   92.125   10.876   95.428   14.031   87.154   17.214  198.231   15.146  187.016   19.695 11.21428 24.84534 
1 1 1    8   13   49 o   46.931   13.118   3.4625   4.2979   5.0940   5.4578   0.7993   6.9731   49.271   18.085   44.591   19.008 4.680752 26.23651 
1 1 1    8   13   50 o   64.568   14.617   10.582   5.0688   8.1802   7.3432   12.768   7.0055   59.176   21.076   69.961   20.260 -10.78432 29.23485 
1 1 1    8   13   51 o  188.027   17.251   93.376   14.295   93.148   17.627   93.813   24.430  191.536   19.692  184.517   28.329 7.019196 34.50105 
1 1 1    8   13   52 o   49.307   14.599   2.3974   5.3613   1.8155   6.5511   3.5775   9.3290   44.741   18.713   53.873   22.414 -9.131592 29.19829 
1 1 1    8   13   53 o   55.869   14.614   3.7164   5.5847   14.116   8.8295  -3.2184   7.2101   72.446   23.117   39.293   17.883 33.15311 29.22702 
1 1 1    8   13   54 o   41.142   12.767  -0.9492   4.7367  -3.0541   6.3970   1.6055   7.0475   36.864   16.803   45.421   19.225 -8.557140 25.53346 
1 1 1    8   13   55 o  191.138   13.097   94.780   11.460   96.977   14.954   91.653   17.838  195.855   16.337  186.421   20.474 9.434662 26.19331 
1 1 1    8   13   56 f   62.248   15.761   10.132   5.8591   7.7578   9.3146   11.687   7.5368   58.964   23.147   65.531   21.398 -6.567146 31.52231 
1 1 1    8   13   57 o  103.941   16.926   31.601   8.0107   34.435   10.472   27.604   12.437  112.303   20.716   95.578   26.774 16.72464 33.85287 
1 1 1    8   13   58 o   56.200   14.566   7.5174   4.9950   4.9929   6.4832   11.205   7.8352   49.026   19.290   63.375   21.830 -14.34873 29.13193 
1 1 1    8   13   59 o   46.449   13.341   2.0192   5.2363   8.5166   6.7562  -7.7543   8.2862   56.362   20.201   36.536   17.430 19.82684 26.68117 
1 1 1    8   13   60 o   90.159   15.826   23.963   6.3924   23.614   7.8291   24.662   11.072   92.120   18.821   88.199   25.450 3.920570 31.65299 
1 1 1    8   13   61 o   37.872   12.474  -4.1931   5.4672  -0.3547   7.7547  -7.9863   7.7091   41.652   18.792   34.091   16.408 7.560223 24.94720 
1 1 1    8   13   62 o   57.650   15.055   10.521   6.0403  -3.7097   13.383   14.162   6.7689   47.491   22.512   67.810   19.995 -20.31882 30.10956 
1 1 1    8   13   63 o   39.206   12.584  -2.5712   5.3132   4.1556   7.5087  -9.3175   7.5195   46.347   19.739   32.065   15.614 14.28148 25.16840 
1 1 1    8   13   64 o   37.316   11.990  -0.5674   4.5599  -1.1085   6.3740  -0.0001   6.5259   36.436   16.672   38.196   17.235 -1.759823 23.97910 
1 1 1    8   13   65 o   62.708   17.250   15.624   7.2330   16.149   11.032   15.228   9.5794   62.704   25.006   62.711   23.769 -0.6797791E-02 34.50056 
1 1 1    8   14    0 o  849.965   44.238  1789.43  245.419  1789.43  245.419  1789.43  245.419  849.965   62.561  849.965   62.561 -0.000000 0.000000 
1 1 1    8   14    1 o  841.976   46.788  1826.45  183.355  1999.90  259.317  1653.03  259.288  886.046   62.623  797.906   69.533 88.14069 93.57552 
1 1 1    8   14    2 o  671.223   35.156  1112.95  110.252  1142.56  155.921  1083.34  155.918  680.661   49.015  661.785   50.412 18.87567 70.31287 
1 1 1    8   14    3 o  682.315   37.767  1160.35  120.288  1098.91  170.101  1221.80  170.125  663.050   54.893  701.580   51.886 -38.52966 75.53382 
1 1 1    8   14    4 o  444.868   24.266  475.163   50.443  465.421   71.336  484.906   71.338  440.183   34.676  449.554   33.955 -9.371613 48.53207 
1 1 1    8   14    5 o  523.470   28.657  664.875   70.101  674.279   99.141  655.472   99.135  527.313   40.229  519.627   40.822 7.686035 57.31309 
1 1 1    8   14    6 o  510.123   27.497  660.979   61.773  506.304   97.658  764.143   79.756  454.381   45.988  565.864   30.159 -111.4830 54.99491 
1 1 1    8   14    7 o  226.617   15.017  116.175   15.179  138.271   26.527  105.419   18.508  241.701   23.484  211.534   18.721 30.16656 30.03302 
1 1 1    8   14    8 o  196.038   13.423   90.256   10.651   91.172   21.321   89.952   12.295  196.289   23.242  195.786   13.437 0.5023346 26.84651 
1 1 1    8   14    9 o  175.030   13.617   73.378   9.5245   69.946   19.140   74.507   10.981  171.862   23.830  178.198   13.185 -6.335770 27.23418 
1 1 1    8   14   10 o  199.380   15.603   95.459   13.636   89.570   23.425   98.478   16.769  194.230   25.806  204.530   17.544 -10.30008 31.20503 
1 1 1    8   14   11 o  333.353   24.762  269.884   37.953  325.828   53.884  214.806   53.465  368.945   31.250  297.760   38.420 71.18539 49.52476 
1 1 1    8   14   12 o  101.331   13.340   26.653   5.7740   18.686   9.5351   31.266   7.2556   87.263   23.040  115.399   13.453 -28.13660 26.68051 
1 1 1    8   14   13 o  510.369   38.268  689.276   82.705  566.528  143.200  750.713  101.310  465.447   65.831  555.292   39.038 -89.84525 76.53561 
1 1 1    8   14   14 o  635.537   40.571  988.484  105.525  1124.22  211.136  943.286  121.833  650.940   69.403  620.135   42.037 30.80505 81.14127 
1 1 1    8   14   15 o  189.613   19.629  101.977   14.278   54.022   24.270  127.354   17.656  146.630   35.742  232.597   16.242 -85.96727 39.25898 
1 1 1    8   14   16 o  120.007   13.034   35.166   6.5812   32.644   11.511   36.391   8.0214  115.548   22.123  124.466   13.790 -8.918205 26.06862 
1 1 1    8   14   17 o  310.478   29.149  273.261   34.500  329.231   42.262  161.445   59.734  372.140   24.300  248.816   52.992 123.3237 58.29815 
1 1 1    8   14   18 o  299.545   15.557  214.975   21.248  204.176   33.492  222.249   27.489  292.612   24.491  306.478   19.192 -13.86566 31.11484 
1 1 1    8   14   19 o  209.307   12.478  108.237   11.615   84.874   18.215  124.248   15.079  188.949   20.627  229.666   14.048 -40.71686 24.95651 
1 1 1    8   14   20 o  245.938   13.984  143.899   16.064  137.822   22.643  150.057   22.792  240.630   20.135  251.246   19.411 -10.61613 27.96754 
1 1 1    8   14   21 o  418.764   32.340  468.162   57.538  503.132   70.407  397.844   99.838  452.198   33.315  385.329   55.440 66.86823 64.67975 
1 1 1    8   14   22 o  243.119   22.164  146.117   24.796  173.210   34.936  118.615   35.199  267.187   27.978  219.051   34.383 48.13519 44.32809 
1 1 1    8   14   23 o  243.943   19.657  141.735   22.410  141.735   22.410   0.0000   0.0000  243.943   19.657  ?   ?       ?      ? 
1 1 1    8   14   24 o  417.597   35.776  461.094   69.806  451.006   98.645  471.213   98.798  412.463   51.174  422.732   50.008 -10.26913 71.55108 
1 1 1    8   14   25 o  538.840   28.369  685.235   68.617  945.291  119.078  555.961   83.957  608.008   41.906  469.673   38.249 138.3351 56.73729 
1 1 1    8   14   26 f  180.424   17.214   78.550   14.398   65.993   19.892   92.364   20.865  164.931   25.807  195.917   22.788 -30.98552 34.42832 
1 1 1    8   14   27 o  306.628   23.959  240.303   31.717  249.707   38.744  221.198   55.223  320.212   25.890  293.043   40.323 27.16916 47.91856 
1 1 1    8   14   28 o  149.891   10.602   53.304   7.4230   52.640   10.301   54.022   10.706  148.950   14.798  150.832   15.188 -1.881363 21.20494 
1 1 1    8   14   29 o   77.203   14.405   13.244   4.5411   11.949   5.1109   18.102   9.8966   69.477   16.062   84.929   23.917 -15.45213 28.80933 
1 1 1    8   14   30 o  218.930   18.856  115.122   19.293  115.122   19.293   0.0000   0.0000  218.930   18.856  ?   ?       ?      ? 
1 1 1    8   14   31 o  173.791   13.387   70.191   10.426   64.558   12.815   81.222   17.932  164.372   16.681  183.210   20.943 -18.83838 26.77480 
1 1 1    8   14   32 o  214.738   16.476  114.423   14.185  116.118   16.419  109.433   28.170  220.497   15.933  208.978   28.843 11.51872 32.95129 
1 1 1    8   14   33 o  206.887   14.611  101.515   12.383   98.943   14.332  109.091   24.593  203.665   15.057  210.109   25.045 -6.443298 29.22284 
1 1 1    8   14   34 o  161.442   9.9745   61.838   7.3707   60.839   9.4776   63.368   11.725  160.098   12.667  162.786   15.411 -2.687912 19.94903 
1 1 1    8   14   35 o  182.231   14.183   82.307   10.101   83.514   11.557   78.402   20.790  187.277   13.204  177.185   25.106 10.09250 28.36689 
1 1 1    8   14   36 o  318.814   24.422  259.524   34.908  317.521   60.270  230.245   42.822  340.307   37.895  297.320   30.818 42.98703 48.84444 
1 1 1    8   14   37 o  145.959   17.697   54.938   11.398   35.335   15.703   76.767   16.571  114.982   29.175  176.936   20.039 -61.95419 35.39428 
1 1 1    8   14   38 o  272.550   18.475  176.305   22.532  151.134   27.468  228.082   39.396  246.257   23.867  298.842   28.208 -52.58553 36.95027 
1 1 1    8   14   39 o  256.005   14.929  162.533   17.697  137.846   24.940  187.567   25.115  235.276   22.682  276.734   19.419 -41.45724 29.85884 
1 1 1    8   14   40 o   91.258   11.327   20.410   4.7085   17.820   6.4792   23.308   6.8543   84.208   17.048   98.308   14.919 -14.09966 22.65428 
1 1 1    8   14   41 o  131.326   9.5118   39.231   5.6471   28.252   7.1806   57.032   9.1428  108.306   14.186  154.346   12.675 -46.04030 19.02364 
1 1 1    8   14   42 o  118.805   11.514   34.351   6.3691   35.329   8.7238   33.234   9.3203  120.845   15.447  116.765   17.079 4.080460 23.02837 
1 1 1    8   14   43 o  237.734   16.937  132.256   18.022  105.535   21.972  187.199   31.506  204.635   22.974  270.833   24.891 -66.19775 33.87310 
1 1 1    8   14   44 o   85.507   20.000   18.731   7.8498   18.731   7.8498   0.0000   0.0000   85.507   20.000  ?   ?       ?      ? 
1 1 1    8   14   45 o  118.903   16.096   37.696   8.0899   40.194   9.8537   32.531   14.170  128.388   16.422  109.419   27.687 18.96965 32.19117 
1 1 1    8   14   46 o   53.313   14.084   5.6941   4.7508   7.2192   6.7826   4.2251   6.6565   56.633   20.246   49.993   19.584 6.640163 28.16855 
1 1 1    8   14   47 o   70.617   12.987   13.602   4.6293   18.331   5.9215   6.1689   7.4239   85.700   15.348   55.533   20.955 30.16639 25.97427 
1 1 1    8   14   48 o  102.158   11.382   25.013   5.3374   22.578   6.8171   28.869   8.5797   96.162   15.169  108.153   16.974 -11.99020 22.76439 
1 1 1    8   14   49 o   55.056   14.411   6.4877   4.9225   5.6112   6.8094   7.4471   7.1242   52.839   20.037   57.273   20.716 -4.433674 28.82105 
1 1 1    8   14   50 o   96.833   16.199   25.774   7.0465   27.588   8.5499   21.931   12.442  105.152   17.398   88.513   27.331 16.63936 32.39849 
1 1 1    8   14   51 o   54.161   14.969   4.6648   5.3471   2.2116   6.6538   9.1373   8.9844   45.695   18.963   62.628   23.166 -16.93282 29.93818 
1 1 1    8   14   52 o  192.579   17.057   94.159   14.828   79.272   18.297  122.644   25.310  173.157   22.609  212.001   25.545 -38.84361 34.11353 
1 1 1    8   14   53 o   49.127   13.549   2.3599   5.0898   9.3473   7.0986  -5.0337   7.3020   60.809   20.785   37.446   17.386 23.36296 27.09797 
1 1 1    8   14   54 o   73.565   16.576   14.792   6.3263   16.683   9.9967   13.529   8.1705   76.818   24.607   70.312   22.217 6.506409 33.15252 
1 1 1    8   14   55 o   63.260   17.316   9.3113   7.1173   7.4799   9.0319   12.312   11.561   58.139   22.802   68.381   26.065 -10.24253 34.63143 
1 1 1    8   14   56 o  102.926   16.938   34.942   8.5123   44.072   10.316   15.464   15.068  131.170   16.829   74.683   29.400 56.48745 33.87606 
1 1 1    8   14   57 o   74.836   14.609   8.7415   5.3901   1.4041   6.1263   33.884   11.341   41.714   17.800  107.957   23.170 -66.24244 29.21796 
1 1 1    8   14   58 o   56.924   14.522   8.5047   4.8891   7.1875   6.3685   10.395   7.6295   53.040   19.525   60.808   21.501 -7.768131 29.04393 
1 1 1    8   14   59 o   90.457   16.316   20.065   6.1021   15.441   6.9268   36.090   12.894   73.626   19.731  107.288   25.990 -33.66191 32.63108 
1 1 1    8   14   60 o   63.477   16.000   10.322   5.9867   5.0116   7.3684   20.638   10.269   48.737   20.066   78.217   24.928 -29.47990 32.00041 
1 1 1    8   14   61 o   54.120   16.615   6.5650   7.6487   6.7932   12.472   6.4274   9.6834   55.499   24.511   52.742   22.439 2.756989 33.23060 
1 1 1    8   14   62 o   64.416   16.015   14.427   7.3196  -0.9222   13.002   21.547   8.8562   48.336   22.689   80.495   22.609 -32.15895 32.03045 
1 1 1    8   14   63 o   48.460   13.732   6.1579   4.7756   7.4696   6.0997   4.0807   7.6763   50.832   19.032   46.088   19.802 4.744499 27.46474 
1 1 1    8   14   64 o   56.404   14.443   10.615   5.0109   8.0130   7.1875   13.076   6.9896   50.920   20.223   61.889   20.626 -10.96883 28.88602 
1 1 1    8   15    0 o  225.117   20.908  125.564   29.621  125.564   29.621  125.564   29.621  225.117   29.569  225.117   29.569 -0.000000 0.000000 
1 1 1    8   15    1 o  477.298   25.814  549.873   57.572  539.014   81.423  560.731   81.416  472.429   36.878  482.166   36.130 -9.737122 51.62735 
1 1 1    8   15    2 o  470.727   24.344  533.039   53.545  545.098   75.717  520.976   75.732  476.210   34.021  465.243   34.830 10.96747 48.68882 
1 1 1    8   15    3 o  365.743   19.168  319.382   32.583  281.112   46.043  357.773   46.115  343.323   28.696  388.162   25.421 -44.83902 38.33612 
1 1 1    8   15    4 f  440.285   20.980  450.792   42.561  543.529   67.364  389.178   54.909  476.786   30.232  403.784   29.097 73.00214 41.95956 
1 1 1    8   15    5 o  194.204   15.972   92.898   13.380   79.269   23.015   99.857   16.445  182.466   26.990  205.942   17.086 -23.47612 31.94313 
1 1 1    8   15    6 o  324.465   18.262  250.456   27.677  259.628   39.133  241.277   39.151  330.517   25.334  318.412   26.310 12.10452 36.52391 
1 1 1    8   15    7 o  546.283   38.855  764.308   92.268  723.238  159.811  784.843  113.006  526.931   64.895  565.636   42.748 -38.70483 77.70949 
1 1 1    8   15    8 o  230.384   16.357  122.458   16.786  137.076   29.111  115.176   20.546  239.967   25.957  220.800   19.911 19.16698 32.71423 
1 1 1    8   15    9 o  228.422   15.458  115.938   15.844  152.067   27.535   98.052   19.373  253.181   23.271  203.662   20.354 49.51956 30.91606 
1 1 1    8   15   10 o  131.730   12.303   39.526   7.2372   45.486   12.548   36.556   8.8592  138.789   19.345  124.670   15.205 14.11948 24.60539 
1 1 1    8   15   11 f  155.190   14.126   58.961   9.4885   51.097   16.307   62.986   11.667  146.729   23.780  163.651   15.254 -16.92184 28.25230 
1 1 1    8   15   12 o  278.372   17.832  167.980   22.149  256.201   38.444  124.150   27.098  328.275   25.058  228.468   25.378 99.80695 35.66476 
1 1 1    8   15   13 o  323.678   22.750  250.439   32.523  257.376   56.271  246.960   39.853  325.509   36.989  321.846   26.495 3.662537 45.49973 
1 1 1    8   15   14 o  210.212   18.324  104.355   18.002   0.0000   0.0000  104.355   18.002  ?   ?   210.212   18.324      ?      ? 
1 1 1    8   15   15 f  469.255   30.305  519.432   63.833  661.303  110.584  448.538   78.172  512.281   46.189  426.228   39.243 86.05246 60.60915 
1 1 1    8   15   16 o   94.685   14.496   21.824   6.4032   28.806   9.2018   15.268   8.9159  110.290   17.852   79.080   22.843 31.21016 28.99188 
1 1 1    8   15   17 o  276.631   16.261  183.438   20.953  165.740   29.507  201.440   29.759  262.852   24.020  290.410   21.927 -27.55725 32.52266 
1 1 1    8   15   18 o  256.822   17.076  162.431   18.993  170.160   23.247  146.913   32.939  267.660   18.584  245.984   28.652 21.67653 34.15131 
1 1 1    8   15   19 o   84.087   12.667   17.749   4.5828   18.891   5.5298   15.246   8.1890   89.533   13.215   78.641   21.613 10.89185 25.33329 
1 1 1    8   15   20 o  183.453   14.883   80.521   11.957   79.906   20.864   80.822   14.590  182.231   24.499  184.674   16.905 -2.443787 29.76508 
1 1 1    8   15   21 o  240.657   20.982  141.743   23.468  124.864   33.105  158.795   33.274  225.600   31.398  255.714   27.842 -30.11377 41.96489 
1 1 1    8   15   22 f  288.859   23.880  207.475   31.905  173.995   44.876  241.696   45.370  263.876   36.389  313.841   30.932 -49.96454 47.75952 
1 1 1    8   15   23 f  345.567   23.450  282.978   36.250  341.504   62.942  253.932   44.342  369.056   36.493  322.078   29.459 46.97803 46.89922 
1 1 1    8   15   24 o  381.534   30.817  387.714   50.446  346.737   87.415  408.175   61.770  357.572   52.309  405.496   32.595 -47.92361 61.63357 
1 1 1    8   15   25 o  138.668   15.067   49.916   8.4325   39.807   15.063   54.530   10.177  125.573   26.500  151.762   14.348 -26.18867 30.13467 
1 1 1    8   15   26 o  193.038   14.928   87.417   12.969   98.742   21.987   81.375   16.060  201.716   23.323  184.359   18.640 17.35674 29.85659 
1 1 1    8   15   27 o  219.085   15.761  107.555   15.510  157.345   26.523   81.679   19.120  254.680   22.284  183.491   22.297 71.18910 31.52298 
1 1 1    8   15   29 o  307.326   37.814  246.121   54.312   0.0000   0.0000  246.121   54.312  ?   ?   307.326   37.814      ?      ? 
1 1 1    8   15   30 o  345.482   24.109  296.847   37.150  274.568   45.523  341.260   64.275  330.686   29.456  360.278   38.174 -29.59210 48.21707 
1 1 1    8   15   31 o  304.979   30.531  256.839   41.573  207.210   58.896  306.123   58.691  268.353   48.757  341.605   36.762 -73.25146 61.06294 
1 1 1    8   15   32 o  118.825   10.854   33.762   6.0230   33.063   8.6286   34.426   8.4112  117.564   15.705  120.086   14.987 -2.521744 21.70831 
1 1 1    8   15   33 o  222.080   12.482  118.868   12.680  118.193   16.334  119.892   20.116  222.012   15.742  222.147   19.375 -0.1353302 24.96445 
1 1 1    8   15   34 o  147.751   14.385   55.850   8.9027   59.500   10.948   48.724   15.296  157.559   14.868  137.944   24.630 19.61481 28.77013 
1 1 1    8   15   35 o   78.189   11.294   14.537   4.0398   11.102   5.2770   19.402   6.2793   66.497   16.934   89.881   14.949 -23.38409 22.58839 
1 1 1    8   15   36 o   86.653   16.719   19.341   6.9919   21.596   9.8242   17.026   9.9533   91.605   22.985   81.701   24.286 9.904427 33.43819 
1 1 1    8   15   37 f   78.493   12.860   15.634   4.6853   19.727   6.6178   11.521   6.6342   89.139   16.493   67.847   19.736 21.29286 25.71997 
1 1 1    8   15   38 o   65.558   11.855   0.6476   4.8035  -9.7301   5.6748   26.872   9.0211   27.946   13.599  103.171   19.422 -75.22492 23.70944 
1 1 1    8   15   39 o   81.993   11.370   16.186   4.3111   7.3783   5.6936   28.022   6.6001   55.854   18.616  108.132   13.060 -52.27834 22.74042 
1 1 1    8   15   40 o   47.708   13.658   3.2818   4.1832   4.0468   4.7059   0.4001   9.1331   45.303   16.765   50.113   21.567 -4.810371 27.31602 
1 1 1    8   15   41 o  109.395   14.563   29.289   6.9940   33.429   11.910   27.110   8.6408  113.451   23.244  105.339   17.552 8.111977 29.12654 
1 1 1    8   15   42 o  265.694   27.155  217.036   28.009  249.456   34.280  151.928   48.579  314.301   23.338  217.087   49.039 97.21326 54.30926 
1 1 1    8   15   43 o  124.924   14.219   35.186   7.6739   28.388   9.1386   51.443   14.132  106.035   19.146  143.813   21.027 -37.77766 28.43725 
1 1 1    8   15   44 o  260.145   20.070  173.707   23.267  159.298   28.472  202.674   40.369  248.525   24.514  271.764   31.784 -23.23898 40.13920 
1 1 1    8   15   45 o  150.116   18.960   60.263   12.787   45.209   17.751   76.500   18.435  127.062   30.315  173.170   22.779 -46.10876 37.91954 
1 1 1    8   15   46 f  242.526   20.300  162.057   21.005  140.718   36.172  172.915   25.802  223.014   34.705  262.037   21.069 -39.02313 40.59996 
1 1 1    8   15   47 o   48.980   13.196   3.4120   4.5330   8.2791   6.4171  -1.4354   6.4041   58.485   19.763   39.476   17.493 19.00917 26.39282 
1 1 1    8   15   48 o   85.205   14.278   19.342   5.6909   24.194   7.9214   14.167   8.1813   97.118   18.119   73.291   22.071 23.82638 28.55577 
1 1 1    8   15   49 o  106.294   18.977   32.243   9.6722   23.413   14.013   40.276   13.366   90.691   29.143  121.896   24.315 -31.20499 37.95458 
1 1 1    8   15   50 o   92.413   15.235   20.567   6.2385   14.992   7.5681   32.386   11.019   74.954   20.847  109.872   22.223 -34.91837 30.47061 
1 1 1    8   15   51 o   85.780   14.934   21.523   7.0967   32.375   9.0254   3.9468   11.486  113.537   17.009   58.023   24.551 55.51419 29.86712 
1 1 1    8   15   52 o  105.419   14.435   29.930   6.8580   24.766   10.263   34.097   9.2185   94.505   23.367  116.332   16.956 -21.82668 28.87087 
1 1 1    8   15   53 o   80.623   18.087   19.009   7.7065   20.983   9.8375   15.873   12.399   85.961   23.715   75.286   27.315 10.67438 36.17351 
1 1 1    8   15   54 o  111.803   15.603   32.170   7.3396   27.946   8.7207   42.428   13.590  102.178   18.960  121.428   24.787 -19.24961 31.20681 
1 1 1    8   15   55 o   49.854   14.683   2.4999   5.2105   0.5081   6.1743   7.4282   9.7121   40.815   17.648   58.892   23.470 -18.07692 29.36518 
1 1 1    8   15   56 o   68.139   14.715   12.959   5.4407   7.4496   7.7447   18.327   7.6448   55.665   21.306   80.614   20.303 -24.94904 29.43059 
1 1 1    8   15   57 o   67.967   14.514   13.487   5.0238   14.633   6.6259   11.938   7.7052   71.715   19.331   64.219   21.657 7.495293 29.02892 
1 1 1    8   15   58 o  134.823   12.421   48.391   7.8232   50.236   11.188   46.625   10.943  137.481   17.413  132.166   17.717 5.314667 24.84141 
1 1 1    8   15   59 f   58.334   15.317   9.7557   5.3285   9.6661   6.3835   9.9616   9.6768   57.706   19.711   58.963   23.450 -1.257385 30.63340 
1 1 1    8   15   60 o   60.029   15.424   6.4316   5.4346   0.7351   6.3060   22.877   10.714   39.526   17.444   80.533   25.441 -41.00698 30.84701 
1 1 1    8   15   61 o   38.336   12.437  -2.1034   5.2477  -7.5944   8.1956   1.7123   6.8318   35.032   16.875   41.641   18.275 -6.608837 24.87424 
1 1 1    8   15   62 o   55.982   13.491   6.2351   5.4331   19.320   7.9120  -5.4411   7.4738   77.108   21.266   34.856   16.608 42.25177 26.98282 
1 1 1    8   15   63 f   42.813   13.203   3.0657   4.9499   1.9238   6.6598   4.4752   7.3989   40.436   17.882   45.191   19.429 -4.755302 26.40560 
1 1 1    8   16    0 o  721.188   39.431  1287.95  185.367  1287.95  185.367  1287.95  185.367  721.188   55.764  721.188   55.764 -0.000000 0.000000 
1 1 1    8   16    1 o  316.125   17.700  237.652   26.136  228.572   36.953  246.740   36.971  309.977   25.508  322.272   24.547 -12.29413 35.40061 
1 1 1    8   16    2 o  254.227   14.834  152.867   17.624  151.545   24.931  154.188   24.917  253.114   21.076  255.341   20.880 -2.226852 29.66791 
1 1 1    8   16    3 o  271.656   14.507  175.137   17.995  171.101   28.489  177.817   23.211  268.694   22.687  274.618   18.085 -5.923889 29.01349 
1 1 1    8   16    4 o  278.369   14.555  182.258   18.594  188.075   29.398  178.380   24.006  281.768   22.324  274.969   18.681 6.799072 29.10951 
1 1 1    8   16    5 o  454.450   20.751  497.518   42.991  477.712   67.976  510.721   55.501  445.602   32.641  463.298   25.633 -17.69641 41.50299 
1 1 1    8   16    6 o  367.933   25.251  338.525   36.725  306.229   73.456  349.289   42.406  352.258   44.619  383.608   23.653 -31.35062 50.50118 
1 1 1    8   16    7 o   75.351   11.472   13.318   4.0399   0.0000   0.0000   13.318   4.0399  ?   ?    75.351   11.472      ?      ? 
1 1 1    8   16    8 o  123.979   14.985   36.941   8.5045   35.729   11.999   38.166   12.056  120.953   22.038  127.004   20.311 -6.050552 29.97054 
1 1 1    8   16    9 o  375.568   28.409  365.063   45.243  296.804   78.323  399.246   55.426  343.354   48.809  407.781   29.083 -64.42786 56.81710 
1 1 1    8   16   10 o  222.334   15.831  119.738   14.039  113.389   28.184  121.834   16.190  217.281   27.755  227.387   15.235 -10.10587 31.66110 
1 1 1    8   16   11 o   67.139   11.811   11.800   4.1419   2.9713   6.7941   17.023   5.2252   49.221   19.626   85.057   13.145 -35.83625 23.62105 
1 1 1    8   16   12 o  164.375   16.985   76.360   10.730   41.796   18.333   94.371   13.234  128.654   30.883  200.095   14.152 -71.44150 33.97092 
1 1 1    8   16   13 o  129.622   12.483   37.324   7.3172   51.553   12.344   29.615   9.0855  147.445   17.914  111.801   17.389 35.64395 24.96527 
1 1 1    8   16   14 o  447.904   28.666  472.511   57.678  634.076   99.946  391.837   70.625  499.721   42.795  396.087   38.153 103.6338 57.33273 
1 1 1    8   16   15 o  315.337   22.148  239.724   30.964  255.156   53.532  231.965   37.957  320.706   35.716  309.969   26.202 10.73709 44.29665 
1 1 1    8   16   16 o  232.646   18.229  136.916   18.126  113.193   31.256  148.937   22.250  215.044   31.101  250.247   19.024 -35.20332 36.45776 
1 1 1    8   16   17 o  372.298   24.864  336.134   41.147  369.287   71.187  319.500   50.424  382.743   39.797  361.853   29.817 20.89050 49.72788 
1 1 1    8   16   18 o  204.398   13.412   96.887   11.231  104.739   22.403   94.252   12.980  208.940   22.943  199.857   13.897 9.082581 26.82333 
1 1 1    8   16   19 o  523.408   34.325  696.049   72.901  766.467  145.855  672.599   84.169  526.365   59.292  520.452   34.604 5.913452 68.65075 
1 1 1    8   16   20 o  263.095   19.160  175.242   19.815  154.296   39.604  182.236   22.885  249.268   33.996  276.923   17.683 -27.65506 38.32014 
1 1 1    8   16   21 o   88.302   15.207   19.493   6.1250   18.745   9.7671   19.978   7.8633   86.743   23.507   89.861   19.300 -3.117592 30.41455 
1 1 1    8   16   22 o  118.731   9.7829   33.322   5.4182   33.222   7.4333   33.437   7.9142  118.581   13.413  118.880   14.245 -0.2994843 19.56583 
1 1 1    8   16   23 o  275.784   14.051  182.511   18.097  174.413   25.557  190.655   25.629  269.493   20.292  282.075   19.441 -12.58127 28.10208 
1 1 1    8   16   24 o  180.020   14.677   80.624   11.551   70.320   19.451   86.237   14.357  169.754   24.517  190.287   16.144 -20.53291 29.35489 
1 1 1    8   16   25 o  242.959   17.900  146.339   19.091  139.858   32.710  149.688   23.511  236.737   29.565  249.181   20.189 -12.44421 35.80028 
1 1 1    8   16   26 o  190.972   17.755   90.007   15.663  104.989   22.152   75.027   22.151  207.757   22.815  174.187   27.210 33.57002 35.50940 
1 1 1    8   16   27 o  135.184   20.236   44.124   12.785   0.0000   0.0000   44.124   12.785  ?   ?   135.184   20.236      ?      ? 
1 1 1    8   16   28 o   88.544   12.497   19.100   4.8735   18.008   6.1712   20.910   7.9440   85.535   16.027   91.553   19.180 -6.017662 24.99483 
1 1 1    8   16   29 o  212.811   17.057  119.918   15.177  136.170   18.694   88.499   25.993  238.369   16.781  187.252   29.702 51.11713 34.11472 
1 1 1    8   16   30 o  110.655   12.093   27.921   5.9113   34.052   10.586   25.143   7.1260  118.660   19.088  102.649   14.854 16.01089 24.18690 
1 1 1    8   16   31 o  156.028   16.944   65.517   10.640   49.895   18.711   72.984   12.936  137.607   29.945  174.448   15.867 -36.84067 33.88862 
1 1 1    8   16   32 o   74.521   11.387   13.872   3.8446   14.310   5.2801   13.378   5.6088   75.940   15.404   73.103   16.773 2.836990 22.77343 
1 1 1    8   16   33 o  129.765   10.320   40.453   6.2459   41.744   8.6536   39.050   9.0240  132.058   14.021  127.472   15.147 4.585953 20.64082 
1 1 1    8   16   34 o  170.986   18.502   84.592   12.079   98.784   14.550   53.128   21.664  202.762   15.354  139.210   33.667 63.55165 37.00331 
1 1 1    8   16   35 o  118.600   12.292   29.502   6.2607   23.222   7.2990   46.987   12.178   98.240   15.898  138.960   18.752 -40.72032 24.58433 
1 1 1    8   16   36 o  126.503   9.4022   37.404   5.4631   33.953   6.9894   42.822   8.7583  119.330   12.533  133.677   14.019 -14.34658 18.80445 
1 1 1    8   16   37 o  144.229   9.9246   49.006   6.5783   44.886   8.4343   55.406   10.511  136.879   13.185  151.579   14.838 -14.70042 19.84924 
1 1 1    8   16   38 o  176.052   13.938   77.990   9.8568   79.411   11.439   73.892   19.424  181.850   13.460  170.254   24.412 11.59622 27.87651 
1 1 1    8   16   39 o   58.663   13.214   9.1460   4.0350   11.128   4.4340  -0.4027   9.7327   66.736   14.621   50.591   22.016 16.14528 26.42843 
1 1 1    8   16   40 o  111.753   14.914   30.242   7.2016   27.607   8.7207   35.892   12.770  106.285   17.556  117.220   24.115 -10.93516 29.82895 
1 1 1    8   16   41 o   65.100   15.140   9.4499   4.6296   8.7555   5.2226   11.997   10.003   59.330   17.582   70.869   24.652 -11.53851 30.27940 
1 1 1    8   16   42 o   72.377   15.737   11.062   5.6221   7.0106   6.7163   20.548   10.277   56.376   20.148   88.378   24.180 -32.00169 31.47417 
1 1 1    8   16   43 o   76.675   24.440   15.308   9.8711   0.0000   0.0000   15.308   9.8711  ?   ?    76.675   24.440      ?      ? 
1 1 1    8   16   44 o  131.393   18.499   46.141   10.957   44.215   15.238   48.203   15.767  128.418   26.275  134.369   26.049 -5.951370 36.99895 
1 1 1    8   16   45 o  152.137   18.554   73.166   11.268   33.140   18.968   94.999   14.009  106.759   33.863  197.516   15.176 -90.75674 37.10808 
1 1 1    8   16   46 o  105.587   16.407   30.183   7.6137   26.855   13.252   31.823   9.3022   97.999   27.703  113.175   17.587 -15.17642 32.81393 
1 1 1    8   16   47 o  125.185   15.560   40.547   8.4116   39.677   10.356   42.233   14.421  126.147   17.566  124.223   25.688 1.924820 31.11947 
1 1 1    8   16   48 f  144.825   19.876   59.795   13.015   43.162   18.670   75.520   18.153  119.771   32.518  169.880   22.865 -50.10965 39.75248 
1 1 1    8   16   49 o   68.731   16.048   12.250   5.7054   12.478   6.7849   11.698   10.542   68.773   19.945   68.689   25.146 0.8338928E-01 32.09603 
1 1 1    8   16   50 o   33.717   15.892  -6.1793   6.4961   0.0000   0.0000  -6.1793   6.4961  ?   ?    33.717   15.892      ?      ? 
1 1 1    8   16   51 f  145.088   15.431   52.408   10.123   43.093   12.529   69.928   17.182  128.305   20.894  161.872   22.713 -33.56680 30.86174 
1 1 1    8   16   52 o  126.829   16.143   45.159   8.0415   46.349   9.3757   41.848   15.640  136.214   14.728  117.443   28.731 18.77088 32.28562 
1 1 1    8   16   53 o  103.790   16.877   27.589   8.1863   27.589   8.1863   0.0000   0.0000  103.790   16.877  ?   ?       ?      ? 
1 1 1    8   16   54 o   38.251   12.307  -3.8296   4.8873   0.7572   7.3378  -7.4870   6.5522   44.222   19.180   32.280   15.427 11.94212 24.61456 
1 1 1    8   16   55 o   84.724   16.218   21.140   6.5357   21.486   10.004   20.883   8.6326   84.390   24.145   85.058   21.658 -0.6682053 32.43533 
1 1 1    8   16   56 o   75.647   13.976   16.968   5.2266   21.604   6.9804   11.051   7.8851   89.013   17.403   62.282   21.874 26.73077 27.95298 
1 1 1    8   16   57 o   75.204   14.396   16.382   5.1757   17.161   6.8398   15.339   7.9167   78.210   18.919   72.198   21.704 6.012383 28.79236 
1 1 1    8   16   58 o   75.431   14.629   16.871   5.2783   14.234   6.9054   20.576   8.1864   68.761   20.173   82.100   21.192 -13.33870 29.25822 
1 1 1    8   16   59 o   57.895   15.392   10.123   5.4381   10.831   6.2575   7.9384   10.992   59.997   19.493   55.792   23.825 4.205799 30.78366 
1 1 1    8   16   60 o   58.046   15.229   8.5340   6.9798   19.426   9.0434  -7.5140   10.977   75.334   23.308   40.757   19.607 34.57651 30.45781 
1 1 1    8   16   61 o   40.359   12.862   0.1692   5.1778  -2.3471   7.8202   2.1334   6.9092   38.567   17.935   42.152   18.441 -3.584366 25.72451 
1 1 1    8   16   62 o   48.413   13.754   5.9187   5.0775   10.870   7.1505   0.8831   7.2112   56.776   20.721   40.049   18.090 16.72678 27.50703 
1 1 1    8   17    0 o  392.194   20.491  371.345   52.448  371.345   52.448  371.345   52.448  392.194   28.978  392.194   28.978 -0.000000 0.000000 
1 1 1    8   17    1 o   85.717   10.764   17.633   4.2145   16.404   5.9564   18.866   5.9639   81.958   16.125   89.477   14.262 -7.518867 21.52723 
1 1 1    8   17    2 o   89.766   11.003   20.314   4.3066   11.007   6.0818   29.674   6.0990   67.159   18.691  112.373   11.613 -45.21371 22.00525 
1 1 1    8   17    3 o  138.312   9.1807   44.355   5.8479   48.842   9.2470   41.364   7.5492  143.996   13.741  132.629   12.179 11.36673 18.36143 
1 1 1    8   17    4 o  446.426   29.577  500.128   52.945  501.542  105.906  499.656   61.132  438.548   51.673  454.304   28.793 -15.75595 59.15302 
1 1 1    8   17    5 o  182.582   13.361   78.670   9.9259   80.112   19.728   78.180   11.486  182.992   23.068  182.172   13.491 0.8199310 26.72296 
1 1 1    8   17    6 f  129.377   13.017   42.174   6.4682   36.643   12.750   44.091   7.5059  121.823   23.242  136.931   11.729 -15.10771 26.03348 
1 1 1    8   17    7 o  193.703   16.356   96.047   13.377   73.563   22.996  107.547   16.446  174.221   28.243  213.184   16.507 -38.96263 32.71262 
1 1 1    8   17    8 o  279.641   18.557  184.321   21.133  197.750   42.368  179.874   24.383  284.162   31.903  275.121   18.964 9.041229 37.11352 
1 1 1    8   17    9 o  166.921   13.732   68.308   9.0442   62.409   18.263   70.225   10.410  161.173   24.246  172.670   12.901 -11.49731 27.46428 
1 1 1    8   17   10 o  384.099   23.217  341.370   36.892  410.851   73.924  318.325   42.573  404.597   39.095  363.600   25.053 40.99750 46.43352 
1 1 1    8   17   11 o  256.665   16.509  151.834   17.392  171.370   34.897  145.378   20.061  265.719   28.101  247.611   17.336 18.10759 33.01790 
1 1 1    8   17   12 o  168.687   14.294   71.078   9.4032   61.782   19.026   74.083   10.817  160.064   25.433  177.309   13.053 -17.24492 28.58751 
1 1 1    8   17   13 o  188.421   15.442   88.527   12.525   74.855   21.522   95.529   15.402  175.996   26.165  200.845   16.409 -24.84886 30.88483 
1 1 1    8   17   14 o  407.250   38.327  498.064   54.656  344.011  109.271  549.466   63.119  339.240   71.191  475.260   28.417 -136.0209 76.65357 
1 1 1    8   17   15 o  194.331   14.528   89.215   13.194   0.0000   0.0000   89.215   13.194  ?   ?   194.331   14.528      ?      ? 
1 1 1    8   17   16 o  232.557   16.413  128.093   15.520  133.987   31.015  126.124   17.925  234.490   28.301  230.625   16.631 3.864304 32.82590 
1 1 1    8   17   17 o  170.068   13.199   69.761   8.9997   67.158   18.006   70.628   10.391  167.075   23.060  173.060   12.847 -5.985321 26.39740 
1 1 1    8   17   18 o  298.875   15.181  214.254   20.785  214.897   32.794  213.822   26.873  298.468   23.510  299.281   19.213 -0.8138123 30.36201 
1 1 1    8   17   19 o  322.809   17.506  253.293   26.301  226.866   37.087  280.031   37.305  305.225   25.999  340.394   23.450 -35.16882 35.01237 
1 1 1    8   17   20 o  348.306   19.215  315.344   29.143  228.838   45.975  373.452   37.680  302.352   32.536  394.261   20.450 -91.90869 38.42925 
1 1 1    8   17   21 o  107.476   11.615   28.827   4.9677   26.035   9.4137   29.905   5.8483  102.332   20.400  112.620   11.111 -10.28867 23.22948 
1 1 1    8   17   22 o  235.195   17.476  141.354   17.659  117.824   30.167  153.620   21.781  217.276   29.708  253.113   18.413 -35.83655 34.95123 
1 1 1    8   17   23 o  154.384   15.138   56.694   10.922   0.0000   0.0000   56.694   10.922  ?   ?   154.384   15.138      ?      ? 
1 1 1    8   17   24 o  225.760   20.148  127.332   21.084  144.943   29.811  109.707   29.823  242.460   26.309  209.059   30.523 33.40088 40.29672 
1 1 1    8   17   25 o  121.888   14.952   35.364   8.5174   35.364   8.5174   0.0000   0.0000  121.888   14.952  ?   ?       ?      ? 
1 1 1    8   17   26 o  385.095   28.833  371.931   51.891  371.931   51.891   0.0000   0.0000  385.095   28.833  ?   ?       ?      ? 
1 1 1    8   17   27 o  282.246   18.867  185.707   23.938  154.221   29.343  248.359   41.391  249.742   25.140  314.749   28.139 -65.00688 37.73325 
1 1 1    8   17   28 o  184.244   12.170   81.616   10.477   81.951   14.673   81.267   14.964  184.693   16.999  183.795   17.421 0.8977966 24.34051 
1 1 1    8   17   29 o  172.470   14.067   73.489   10.623   75.744   13.074   69.108   18.223  177.720   15.741  167.220   23.318 10.49992 28.13338 
1 1 1    8   17   30 o  104.725   10.159   26.188   4.9448   22.643   6.8302   30.091   7.1681   97.177   15.039  112.274   13.661 -15.09770 20.31758 
1 1 1    8   17   31 o  199.647   17.608   99.921   16.231   81.050   22.259  121.347   23.718  178.530   26.678  220.765   22.988 -42.23514 35.21552 
1 1 1    8   17   32 f   93.540   13.797   19.961   5.5999   30.306   9.9206   15.123   6.7840  109.758   20.080   77.322   18.926 32.43662 27.59370 
1 1 1    8   17   33 o   89.095   14.397   19.930   5.4808   20.390   10.063   19.735   6.5350   88.934   23.760   89.256   16.266 -0.3212585 28.79455 
1 1 1    8   17   34 o   73.572   11.826   13.637   3.9664   14.272   5.3923   12.887   5.8548   75.651   15.763   71.492   17.633 4.159225 23.65160 
1 1 1    8   17   35 o  177.668   12.627   77.845   10.324   92.088   14.527   63.309   14.676  195.038   15.937  160.299   19.589 34.73830 25.25329 
1 1 1    8   17   36 o  188.664   17.454   87.032   15.390   87.032   15.390   0.0000   0.0000  188.664   17.454  ?   ?       ?      ? 
1 1 1    8   17   37 o  184.422   21.842   94.516   17.485  129.217   24.616   59.178   24.841  226.188   23.287  142.655   36.961 83.53328 43.68493 
1 1 1    8   17   38 o   69.832   14.651   13.047   5.4786   17.058   6.6906   4.8845   9.5443   82.047   17.948   57.617   23.161 24.42994 29.30125 
1 1 1    8   17   39 f   32.596   13.833   0.2300   3.6640   0.2300   3.6640   0.0000   0.0000   32.596   13.833  ?   ?       ?      ? 
1 1 1    8   17   40 o  117.841   10.417   32.782   5.6182   30.256   7.1443   36.874   9.0951  112.281   13.615  123.401   15.771 -11.11937 20.83441 
1 1 1    8   17   41 o   65.161   14.885   10.432   4.5808   10.817   5.1148   8.8692   10.297   65.282   16.698   65.039   24.646 0.2427063 29.76932 
1 1 1    8   17   42 o  124.947   15.867   40.764   8.2962   41.568   10.010   39.001   14.827  130.258   16.443  119.637   27.142 10.62160 31.73380 
1 1 1    8   17   43 o   56.325   13.463   6.1318   4.7586   12.783   6.7720  -0.3558   6.6880   70.517   19.758   42.132   18.292 28.38476 26.92564 
1 1 1    8   17   44 o  141.021   11.976   49.059   7.8862   51.604   11.219   46.573   11.088  144.792   16.579  137.250   17.286 7.541901 23.95143 
1 1 1    8   17   45 o   71.317   16.584   10.818   7.0221   2.3026   9.2758   22.249   10.747   52.324   22.096   90.309   24.736 -37.98491 33.16776 
1 1 1    8   17   46 o   79.719   18.266   17.059   7.8291   20.102   11.271   14.221   10.883   85.400   25.948   74.038   25.716 11.36260 36.53215 
1 1 1    8   17   47 o   53.517   16.003   2.6618   6.9068   1.5149   10.031   3.6959   9.5245   52.542   22.607   54.492   22.657 -1.950050 32.00647 
1 1 1    8   17   48 f   88.148   18.055   21.651   8.0958   15.446   11.295   28.206   11.610   75.723   26.204  100.573   24.845 -24.84969 36.10990 
1 1 1    8   17   49 o   48.033   14.983  -1.4008   6.8630 -10.6391   11.469   3.7526   8.5660   43.776   20.776   52.290   21.593 -8.514080 29.96535 
1 1 1    8   17   50 o   59.262   14.674   2.8230   7.0830   18.498   9.1640 -20.4370   11.163   81.591   23.027   36.933   18.196 44.65843 29.34875 
1 1 1    8   17   51 f   64.075   13.884   11.504   5.6519   17.984   6.7084  -4.3476   10.492   82.162   17.971   45.988   21.170 36.17415 27.76876 
1 1 1    8   17   52 o   69.917   15.465   13.539   5.6109   13.292   8.1840   13.758   7.7074   69.319   22.271   70.514   21.464 -1.194794 30.93074 
1 1 1    8   17   53 o  125.458   11.715   40.274   6.7533   39.801   8.7861   40.958   10.557  125.586   14.970  125.329   18.024 0.2564316 23.42993 
1 1 1    8   17   54 o   49.374   14.411   4.2626   5.3376   2.6839   8.7311   5.2047   6.7448   49.053   21.098   49.695   19.636 -0.6419678 28.82228 
1 1 1    8   17   55 o   52.001   12.215   5.5206   4.3810   13.128   5.8827  -3.9530   6.5646   68.679   18.080   35.323   16.429 33.35527 24.42941 
1 1 1    8   17   56 o   60.889   14.638   10.223   4.9593   8.4579   6.5644   12.569   7.5694   56.081   19.932   65.697   21.444 -9.615231 29.27692 
1 1 1    8   17   57 o   45.809   13.176   4.2126   4.3648   3.3671   5.6790   5.4329   6.8227   42.940   17.640   48.679   19.577 -5.739902 26.35236 
1 1 1    8   17   58 o   47.211   14.402   3.4575   5.0272   2.5800   5.7413   6.3412   10.408   41.209   17.392   53.212   22.961 -12.00334 28.80441 
1 1 1    8   17   59 o   54.281   15.617   8.0167   5.8783   6.7723   7.1079   10.710   10.456   50.354   20.075   58.209   23.927 -7.854954 31.23312 
1 1 1    8   17   60 o   48.415   15.340   0.2029   7.4603   11.769   11.318  -8.6825   9.9202   59.102   24.647   37.729   18.270 21.37293 30.68001 
1 1 1    8   17   61 o   63.871   16.214   11.799   6.2583   27.174   11.052   4.5416   7.5929   82.249   25.819   45.493   19.621 36.75670 32.42850 
1 1 1    8   18    0 o   36.769   13.446   4.6520   4.2065   4.6520   4.2065   4.6520   4.2065   36.769   19.015   36.769   19.015 -0.000000 0.000000 
1 1 1    8   18    1 o  202.630   12.571   97.582   11.875  105.571   16.810   89.624   16.778  211.047   17.043  194.213   18.485 16.83342 25.14264 
1 1 1    8   18    2 o  223.011   13.041  123.387   12.901   97.546   20.400  140.609   16.654  202.000   21.609  244.021   14.603 -42.02034 26.08104 
1 1 1    8   18    3 o  126.693   14.291   43.687   6.6116   30.715   13.343   47.909   7.6117  110.659   26.206  142.727   11.411 -32.06859 28.58234 
1 1 1    8   18    4 o  267.036   14.431  170.457   17.608  168.159   27.879  171.983   22.712  264.948   22.515  269.124   18.058 -4.175781 28.86194 
1 1 1    8   18    5 o  409.660   21.009  414.512   39.057  384.973   61.753  434.206   50.423  395.034   33.449  424.287   25.429 -29.25232 42.01739 
1 1 1    8   18    6 o  205.747   14.863  100.013   14.292   0.0000   0.0000  100.013   14.292  ?   ?   205.747   14.863      ?      ? 
1 1 1    8   18    7 o  235.122   18.018  140.302   16.594  120.126   33.118  147.066   19.175  221.072   32.054  249.171   16.467 -28.09912 36.03618 
1 1 1    8   18    8 o  411.777   28.958  441.074   46.928  405.533   93.838  452.927   54.191  391.149   51.333  432.406   26.816 -41.25711 57.91524 
1 1 1    8   18    9 o  482.875   30.694  580.590   60.200  633.602  120.460  562.943   69.502  486.691   52.960  479.059   31.043 7.632721 61.38754 
1 1 1    8   18   10 o  315.999   20.907  232.942   29.597  283.837   51.303  207.552   36.235  339.316   32.351  292.682   26.490 46.63452 41.81327 
1 1 1    8   18   11 o  331.182   22.942  271.281   33.318  268.772   57.735  272.534   40.797  326.878   37.793  335.485   26.020 -8.606720 45.88407 
1 1 1    8   18   12 o  212.363   17.733  117.538   14.464   93.261   28.981  125.592   16.691  194.412   31.896  230.315   15.507 -35.90291 35.46610 
1 1 1    8   18   13 o  433.114   32.318  515.587   58.707  414.544  101.628  566.193   71.921  387.892   56.061  478.336   32.172 -90.44446 64.63629 
1 1 1    8   18   14 o  332.536   19.778  261.622   26.907  289.171   53.845  252.454   31.063  340.396   33.847  324.675   20.472 15.72125 39.55644 
1 1 1    8   18   15 o   41.428   11.463   2.5512   2.8006   2.2955   5.9978   2.6225   3.1671   45.462   18.330   37.393   13.769 8.068771 22.92551 
1 1 1    8   18   16 o   90.076   11.583   18.321   4.1534   22.483   8.5363   17.031   4.7541   95.185   19.833   84.968   11.972 10.21687 23.16619 
1 1 1    8   18   17 o  209.885   15.186  104.619   14.896   0.0000   0.0000  104.619   14.896  ?   ?   209.885   15.186      ?      ? 
1 1 1    8   18   18 f  296.131   18.928  210.439   26.196   0.0000   0.0000  210.439   26.196  ?   ?   296.131   18.928      ?      ? 
1 1 1    8   18   19 o   69.079   11.302   12.148   3.4224   9.7615   6.2483   13.170   4.0905   63.481   19.327   74.676   11.721 -11.19565 22.60308 
1 1 1    8   18   20 o  266.788   21.917  192.302   24.262  142.375   41.886  217.511   29.763  233.736   38.344  299.839   21.240 -66.10324 43.83389 
1 1 1    8   18   21 o  169.024   16.064   69.636   12.637   62.437   17.819   76.922   17.926  159.875   23.848  178.172   21.528 -18.29666 32.12749 
1 1 1    8   18   22 o  153.235   15.282   57.154   10.891   50.927   15.404   63.380   15.401  144.540   22.803  161.930   20.350 -17.38980 30.56333 
1 1 1    8   18   23 o  122.726   11.949   35.108   6.6317   32.474   8.2609   39.880   11.122  116.722   15.144  128.729   18.487 -12.00760 23.89732 
1 1 1    8   18   24 o  372.114   25.453  356.325   41.840  345.220   51.275  378.454   72.382  369.856   29.664  374.371   41.370 -4.514465 50.90615 
1 1 1    8   18   25 o  121.653   10.038   35.345   5.6603   29.926   7.9275   40.981   8.0846  111.953   15.152  131.352   13.170 -19.39951 20.07512 
1 1 1    8   18   26 o  200.461   12.881   97.061   12.068   96.585   17.029   97.540   17.104  199.966   18.222  200.956   18.212 -0.9890900 25.76246 
1 1 1    8   18   27 o  260.432   16.478  168.514   19.934  188.301   28.149  148.609   28.233  276.760   21.763  244.104   24.748 32.65660 32.95546 
1 1 1    8   18   28 o  183.983   12.133   82.230   10.306   67.283   14.434   97.777   14.721  166.312   18.570  201.653   15.620 -35.34126 24.26595 
1 1 1    8   18   29 o  118.817   10.630   33.862   5.8967   31.849   8.1740   36.047   8.5147  115.106   15.195  122.529   14.869 -7.422951 21.25979 
1 1 1    8   18   30 o  140.613   17.283   50.300   11.054   54.058   15.365   46.269   15.914  147.826   22.241  133.400   26.460 14.42595 34.56574 
1 1 1    8   18   31 o  101.615   10.607   24.760   5.0363   24.090   7.0643   25.453   7.1818  100.202   15.085  103.028   14.915 -2.825867 21.21402 
1 1 1    8   18   32 o   47.190   13.685   1.7403   3.7794   0.9560   4.1515   5.5375   9.1344   36.202   14.998   58.177   22.895 -21.97424 27.36979 
1 1 1    8   18   33 o   67.430   13.090   12.445   4.8131   1.9438   8.3176   17.731   5.9016   50.391   21.081   84.469   15.522 -34.07751 26.17900 
1 1 1    8   18   34 o   78.094   16.011   15.745   6.1327   15.683   9.5090   15.790   8.0246   77.991   23.862   78.198   21.355 -0.2068405 32.02279 
1 1 1    8   18   35 o  126.857   10.587   38.997   6.1767   30.693   8.5779   47.940   8.9013  112.388   16.331  141.326   13.477 -28.93793 21.17397 
1 1 1    8   18   36 o  220.713   21.376  137.586   19.003  106.812   32.784  153.159   23.321  192.708   37.752  248.718   20.063 -56.01035 42.75199 
1 1 1    8   18   37 o  150.395   16.120   56.755   11.308   54.195   15.418   59.737   16.637  146.894   22.458  153.897   23.131 -7.002457 32.23980 
1 1 1    8   18   38 o   82.029   14.592   18.643   5.8010   9.5991   10.265   22.886   7.0313   66.765   24.750   97.294   15.463 -30.52962 29.18346 
1 1 1    8   18   39 o   81.045   15.507   14.640   5.4472   11.608   6.2923   23.706   10.882   67.535   19.089   94.555   24.445 -27.01997 31.01501 
1 1 1    8   18   40 o  113.995   16.919   33.825   9.1771   16.663   12.389   54.688   13.660   80.174   27.459  147.815   19.774 -67.64088 33.83834 
1 1 1    8   18   41 o   79.928   15.966   17.266   6.0059   18.762   7.0774   13.415   11.353   85.764   18.219   74.092   26.225 11.67240 31.93285 
1 1 1    8   18   42 o   45.471   13.226   2.0733   4.5593   3.5635   6.4191   0.5560   6.4770   48.099   19.109   42.842   18.292 5.256908 26.45260 
1 1 1    8   18   43 o  155.553   20.064   68.076   13.865   96.496   19.849   40.997   19.375  193.932   21.900  117.175   33.624 76.75732 40.12740 
1 1 1    8   18   44 o  192.661   19.670   93.998   17.711   93.998   17.711   0.0000   0.0000  192.661   19.670  ?   ?       ?      ? 
1 1 1    8   18   45 o  178.739   20.954   90.288   17.018   83.287   24.410   96.910   23.739  168.780   32.120  188.698   26.919 -19.91801 41.90818 
1 1 1    8   18   46 o  109.498   18.944   33.653   9.7597   43.417   14.350   25.250   13.313  125.362   25.364   93.635   28.145 31.72643 37.88772 
1 1 1    8   18   47 o  210.528   32.727  132.178   32.200  132.178   32.200   0.0000   0.0000  210.528   32.727  ?   ?       ?      ? 
1 1 1    8   18   48 o  138.376   17.674   57.505   10.090   67.234   12.482   39.151   17.144  163.843   16.300  112.909   31.366 50.93380 35.34888 
1 1 1    8   18   49 o  113.938   17.379   39.561   8.6019   45.004   10.390   27.702   15.336  133.371   16.669   94.506   30.500 38.86411 34.75797 
1 1 1    8   18   50 o   64.524   20.772   11.277   7.1165   0.0000   0.0000   11.277   7.1165  ?   ?    64.524   20.772      ?      ? 
1 1 1    8   18   51 o  218.356   21.707  145.144   19.892  144.148   34.350  145.647   24.399  205.932   37.053  230.780   22.622 -24.84834 43.41331 
1 1 1    8   18   52 o   63.855   15.566   11.142   5.6451   10.331   8.2047   11.872   7.7791   62.246   22.266   65.465   21.757 -3.218700 31.13144 
1 1 1    8   18   53 o   67.741   14.072   13.124   4.9606   17.274   6.9143   8.7218   7.1209   78.362   19.062   57.121   20.704 21.24092 28.14310 
1 1 1    8   18   54 o   32.521   10.784  -8.6326   4.6221 -20.2257   7.0106   0.2812   6.1474   25.335   12.769   39.708   17.383 -14.37266 21.56872 
1 1 1    8   18   55 o   54.616   14.228   7.9255   4.8135   8.9819   6.3641   6.5133   7.3580   56.911   19.671   52.320   20.562 4.590656 28.45551 
1 1 1    8   18   56 o   63.677   15.627   13.077   5.8267   14.944   6.9461   8.6448   10.703   70.218   20.128   57.136   23.909 13.08218 31.25367 
1 1 1    8   18   57 f   48.808   13.687   5.9894   4.6493   5.8907   6.6550   6.0835   6.4980   48.696   19.422   48.921   19.292 -0.2244263 27.37462 
1 1 1    8   18   58 o   42.680   13.534   0.5916   5.5199  -1.6473   7.2149   3.7519   8.5718   38.159   17.562   47.201   20.598 -9.042084 27.06843 
1 1 1    8   18   59 o   47.332   20.501   4.4643   8.3604   4.4643   8.3604   0.0000   0.0000   47.332   20.501  ?   ?       ?      ? 
1 1 1    8   18   60 o   58.036   17.231   12.847   7.9577   11.058   11.851   14.317   10.739   55.790   24.286   60.282   24.449 -4.491688 34.46159 
1 1 1    8   19    0 o   70.297   13.379   13.868   5.3722   13.868   5.3722   13.868   5.3722   70.297   18.921   70.297   18.921 -0.000000 0.000000 
1 1 1    8   19    1 o  278.447   14.206  182.185   18.212  202.464   28.853  168.756   23.480  290.762   21.233  266.133   18.878 24.62869 28.41133 
1 1 1    8   19    2 f  145.141   9.7049   50.237   6.4090   47.418   10.147   52.108   8.2667  141.532   15.341  148.749   11.891 -7.217285 19.40980 
1 1 1    8   19    3 o  453.609   22.518  503.879   46.911  530.400   74.194  486.216   60.550  461.444   34.404  445.775   29.064 15.66946 45.03695 
1 1 1    8   19    4 o  202.381   11.742   98.738   10.783   90.033   17.003  104.595   13.946  194.383   18.716  210.380   14.184 -15.99753 23.48406 
1 1 1    8   19    5 o  177.726   13.155   74.248   9.4912   77.351   19.022   73.220   10.952  179.324   22.698  176.128   13.305 3.196228 26.30996 
1 1 1    8   19    6 o  123.779   11.321   35.339   5.7050   38.387   11.509   34.347   6.5689  126.793   19.422  120.765   11.639 6.027977 22.64244 
1 1 1    8   19    7 o   92.502   22.598   21.391   9.6859   0.0000   0.0000   21.391   9.6859  ?   ?    92.502   22.598      ?      ? 
1 1 1    8   19    8 o  222.835   16.321  116.775   16.204  129.789   28.017  110.233   19.864  231.009   25.951  214.660   19.800 16.34874 32.64185 
1 1 1    8   19    9 o  393.224   27.086  387.071   47.157  418.484   81.756  371.410   57.728  399.928   43.742  386.520   31.957 13.40875 54.17205 
1 1 1    8   19   10 o  173.193   17.120   80.652   11.815   56.468   20.444   92.779   14.477  148.694   30.444  197.692   15.669 -48.99785 34.23980 
1 1 1    8   19   11 o  216.018   15.698  108.620   15.162  126.698   26.243   99.563   18.576  228.225   24.604  203.811   19.502 24.41437 31.39576 
1 1 1    8   19   12 o  252.094   16.457  151.352   19.389   0.0000   0.0000  151.352   19.389  ?   ?   252.094   16.457      ?      ? 
1 1 1    8   19   13 o  262.569   21.899  166.825   26.872   0.0000   0.0000  166.825   26.872  ?   ?   262.569   21.899      ?      ? 
1 1 1    8   19   14 o   77.987   11.928   14.367   4.3474   0.0000   0.0000   14.367   4.3474  ?   ?    77.987   11.928      ?      ? 
1 1 1    8   19   15 o  140.118   14.721   46.654   9.6400   0.0000   0.0000   46.654   9.6400  ?   ?   140.118   14.721      ?      ? 
1 1 1    8   19   17 o   31.759   14.091  -1.4048   4.1680   0.0000   0.0000  -1.4048   4.1680  ?   ?    31.759   14.091      ?      ? 
1 1 1    8   19   18 o   92.581   19.650   21.388   8.2389   0.0000   0.0000   21.388   8.2389  ?   ?    92.581   19.650      ?      ? 
1 1 1    8   19   19 o  254.057   19.809  155.865   23.519  155.865   23.519   0.0000   0.0000  254.057   19.809  ?   ?       ?      ? 
1 1 1    8   19   20 o  380.509   27.614  372.608   46.754  347.185   57.275  423.377   80.939  367.799   33.321  393.219   44.044 -25.42038 55.22778 
1 1 1    8   19   21 o  273.406   21.077  190.212   25.175  193.225   30.864  184.224   43.516  280.533   23.541  266.279   34.968 14.25436 42.15389 
1 1 1    8   19   22 o   49.760   10.760   5.9591   2.7382   5.3661   4.0939   6.4391   3.6834   48.194   15.772   51.326   14.639 -3.131794 21.51901 
1 1 1    8   19   23 o  228.142   12.430  124.033   13.055  133.370   20.585  117.751   16.884  234.764   18.762  221.520   16.309 13.24335 24.85931 
1 1 1    8   19   24 o  118.591   17.683   38.042   9.5682   48.122   12.572   24.166   14.750  140.743   19.113   96.438   29.755 44.30468 35.36522 
1 1 1    8   19   25 o  255.930   17.029  165.855   19.778  208.319   27.941  123.208   28.001  291.527   20.508  220.334   27.192 71.19278 34.05868 
1 1 1    8   19   26 o  223.590   15.467  119.859   15.389  136.702   26.775  111.550   18.805  233.325   24.554  213.856   18.816 19.46890 30.93447 
1 1 1    8   19   27 o  148.845   14.751   57.041   9.2240   61.155   11.402   49.250   15.692  159.506   15.295  138.184   25.228 21.32253 29.50257 
1 1 1    8   19   28 o  224.923   13.620  123.418   14.298  116.209   20.197  130.660   20.243  218.061   19.818  231.786   18.688 -13.72556 27.23955 
1 1 1    8   19   29 o  205.051   19.546  107.667   18.473   87.679   25.828  128.598   26.432  183.915   30.050  226.187   25.004 -42.27290 39.09208 
1 1 1    8   19   30 o   51.862   12.403   5.4068   3.5906   3.0552   4.5558   9.2624   5.8335   42.477   16.322   61.247   18.681 -18.76974 24.80634 
1 1 1    8   19   31 o  120.010   14.192   38.910   7.0295   44.513   8.7083   28.431   11.909  136.171   13.684  103.848   24.867 32.32310 28.38313 
1 1 1    8   19   32 o  149.394   16.133   56.330   11.252   55.265   16.179   57.327   15.659  147.724   23.434  151.063   22.180 -3.339340 32.26637 
1 1 1    8   19   33 o  177.635   15.216   76.720   11.786   73.069   14.182   84.869   21.190  172.908   17.551  182.363   24.862 -9.455566 30.43295 
1 1 1    8   19   34 o   54.223   13.799   6.5483   4.3727   8.1854   5.0532   1.6684   8.7247   57.532   17.351   50.914   21.462 6.618160 27.59781 
1 1 1    8   19   35 o   42.293   13.028  -1.0462   3.6810  -2.0280   4.0375   3.7880   8.9591   29.914   13.522   54.671   22.272 -24.75746 26.05578 
1 1 1    8   19   36 o  209.621   20.434  115.048   19.992  107.863   28.006  122.514   28.548  202.385   29.610  216.856   28.168 -14.47108 40.86788 
1 1 1    8   19   37 o  249.828   18.585  154.657   20.810  187.773   35.948  137.964   25.522  266.535   28.858  233.122   23.425 33.41374 37.16925 
1 1 1    8   19   38 o  178.131   20.851   95.763   14.572  111.316   17.701   63.067   25.666  212.207   17.849  144.055   37.689 68.15237 41.70204 
1 1 1    8   19   39 o  119.466   17.085   42.592   8.4779   50.078   10.125   25.035   15.507  143.609   15.086   95.323   30.659 48.28601 34.16958 
1 1 1    8   19   40 o  105.111   18.286   29.815   8.8989   28.902   12.094   30.893   13.141  103.640   25.211  106.582   26.495 -2.941811 36.57282 
1 1 1    8   19   41 o  157.215   16.370   65.643   10.839   60.546   18.616   68.257   13.331  148.355   27.873  166.075   17.176 -17.71980 32.74054 
1 1 1    8   19   42 o  147.740   27.941   60.565   18.586   0.0000   0.0000   60.565   18.586  ?   ?   147.740   27.941      ?      ? 
1 1 1    8   19   43 o   41.844   13.432  -7.2994   6.3135 -19.2255   9.5086   2.1037   8.4432   33.671   16.628   50.017   21.100 -16.34597 26.86379 
1 1 1    8   19   44 o  182.599   21.847   96.548   17.982   83.898   25.868  108.375   25.013  166.201   34.436  198.997   26.895 -32.79562 43.69393 
1 1 1    8   19   45 o  197.861   20.200  100.890   18.679  100.890   18.679   0.0000   0.0000  197.861   20.200  ?   ?       ?      ? 
1 1 1    8   19   46 o   28.666   13.918  -9.2230   5.8579  -9.2230   5.8579   0.0000   0.0000   28.666   13.918  ?   ?       ?      ? 
1 1 1    8   19   47 o   86.173   16.758   20.688   6.6407   20.795   7.9493   20.441   12.081   88.194   19.774   84.152   27.061 4.042938 33.51618 
1 1 1    8   19   48 o   58.770   14.445   8.3330   4.6042   7.2125   5.5797   10.724   8.1507   53.739   18.427   63.801   22.249 -10.06231 28.88933 
1 1 1    8   19   49 o   69.000   16.513   8.5355   6.7875   0.2340   8.2983   25.316   11.798   45.894   20.141   92.107   26.175 -46.21251 33.02685 
1 1 1    8   19   50 o   42.310   12.778   1.3520   4.3297   1.9368   5.3416   0.2316   7.3933   40.992   17.000   43.628   19.082 -2.635376 25.55591 
1 1 1    8   19   51 o   38.776   12.023  -1.4313   4.4325   3.2195   6.1772  -6.3675   6.3640   45.085   18.445   32.466   15.428 12.61878 24.04683 
1 1 1    8   19   52 o   46.369   14.602   0.9890   5.9091  -1.0078   11.312   1.7384   6.9298   49.044   22.351   43.693   18.795 5.350815 29.20320 
1 1 1    8   19   53 o   62.557   14.823   10.694   5.9694   0.3619   9.5554   17.307   7.6448   47.598   21.214   77.515   20.709 -29.91668 29.64606 
1 1 1    8   19   54 o   49.825   13.895   5.5290   4.9597   1.8975   7.3929   8.5012   6.6882   44.267   19.226   55.382   20.066 -11.11477 27.79010 
1 1 1    8   19   55 o   70.101   15.656   15.612   5.7899   18.450   8.3878   13.029   8.0021   75.996   22.216   64.206   22.065 11.79009 31.31117 
1 1 1    8   19   56 o   50.976   15.028   6.3655   5.9654   2.3244   10.683   8.1963   7.1909   48.572   21.972   53.381   20.507 -4.808941 30.05511 
1 1 1    8   19   57 o   37.447   16.946  -0.5704   6.3618  -0.5704   6.3618   0.0000   0.0000   37.447   16.946  ?   ?       ?      ? 
1 1 1    8   19   58 o   76.311   20.257   18.746   7.3448   18.746   7.3448   0.0000   0.0000   76.311   20.257  ?   ?       ?      ? 
1 1 1    8   20    0 o   73.307   18.427   16.804   8.1342   16.804   8.1342   16.804   8.1342   73.307   26.059   73.307   26.059 -0.000000 0.000000 
1 1 1    8   20    1 o   56.835   12.736   7.4494   3.5780   7.7948   6.5564   7.3029   4.2699   58.873   19.976   54.796   15.803 4.077641 25.47112 
1 1 1    8   20    2 f   58.772   12.719   7.9413   3.6147   9.3742   6.4724   7.2918   4.3575   62.722   19.769   54.822   16.008 7.899456 25.43792 
1 1 1    8   20    3 o   95.711   13.562   25.111   5.5273   15.190   9.5497   30.109   6.7779   78.591   23.886  112.830   12.854 -34.23891 27.12469 
1 1 1    8   20    4 o  117.946   13.632   36.349   6.6242   27.586   11.375   40.846   8.1485  104.534   23.815  131.357   13.273 -26.82364 27.26411 
1 1 1    8   20    5 o  203.679   26.168  101.923   24.909   0.0000   0.0000  101.923   24.909  ?   ?   203.679   26.168      ?      ? 
1 1 1    8   20    6 o  148.474   14.914   52.385   10.349   0.0000   0.0000   52.385   10.349  ?   ?   148.474   14.914      ?      ? 
1 1 1    8   20    7 o  155.041   22.722   58.405   16.464   0.0000   0.0000   58.405   16.464  ?   ?   155.041   22.722      ?      ? 
1 1 1    8   20    8 o  221.322   19.920  117.996   20.604   0.0000   0.0000  117.996   20.604  ?   ?   221.322   19.920      ?      ? 
1 1 1    8   20    9 o  183.550   24.901   82.543   21.360   0.0000   0.0000   82.543   21.360  ?   ?   183.550   24.901      ?      ? 
1 1 1    8   20   10 o  198.837   25.436   97.068   23.637   0.0000   0.0000   97.068   23.637  ?   ?   198.837   25.436      ?      ? 
1 1 1    8   20   12 o  393.971   50.944  437.781   93.800   0.0000   0.0000  437.781   93.800  ?   ?   393.971   50.944      ?      ? 
1 1 1    8   20   13 o  169.268   22.908   69.814   18.122   0.0000   0.0000   69.814   18.122  ?   ?   169.268   22.908      ?      ? 
1 1 1    8   20   14 o  300.334   37.264  235.359   52.304  235.359   52.304   0.0000   0.0000  300.334   37.264  ?   ?       ?      ? 
1 1 1    8   20   15 o   93.350   14.245   21.808   6.0379   24.502   8.6635   19.264   8.4196   99.221   19.378   87.478   20.884 11.74355 28.48915 
1 1 1    8   20   16 o  223.876   28.479  125.597   29.798  125.597   29.798   0.0000   0.0000  223.876   28.479  ?   ?       ?      ? 
1 1 1    8   20   17 o   64.429   12.786   10.291   3.8457   9.6177   6.8513   10.601   4.6467   63.488   20.375   65.369   15.454 -1.881695 25.57237 
1 1 1    8   20   18 o   49.257   12.018   4.6771   2.9659   7.1721   6.0975   3.9039   3.3945   56.411   19.264   42.103   14.373 14.30779 24.03523 
1 1 1    8   20   19 o  231.879   15.892  123.299   15.279  151.448   30.646  113.988   17.625  246.098   26.646  217.660   17.327 28.43820 31.78376 
1 1 1    8   20   20 o  258.308   16.258  164.572   19.626  162.606   27.717  166.550   27.795  256.695   23.104  259.922   22.881 -3.226501 32.51669 
1 1 1    8   20   21 o  276.331   16.778  190.519   21.485  216.757   30.332  164.096   30.438  296.749   21.871  255.913   25.450 40.83629 33.55622 
1 1 1    8   20   22 o   93.150   9.9817   20.754   4.3396   20.755   5.9866   20.753   6.2996   93.208   13.743   93.091   14.480 0.1172256 19.96332 
1 1 1    8   20   23 o  150.301   10.055   54.354   6.9341   52.756   10.793   55.477   9.0488  148.036   15.600  152.565   12.691 -4.528091 20.11019 
1 1 1    8   20   24 o  173.610   10.158   71.206   8.1226   78.025   12.823   66.637   10.497  180.190   15.227  167.030   13.447 13.15990 20.31502 
1 1 1    8   20   25 o  238.193   14.109  138.993   15.665  149.344   22.083  128.507   22.225  247.587   19.084  228.798   20.785 18.78928 28.21723 
1 1 1    8   20   26 o  211.226   13.989  109.104   13.809  108.206   19.436  110.018   19.623  210.356   19.770  212.097   19.796 -1.741058 27.97755 
1 1 1    8   20   27 o  117.118   15.077   34.924   7.1119   35.480   8.3385   33.439   13.623  121.543   14.680  112.694   26.339 8.849281 30.15334 
1 1 1    8   20   28 o  185.716   18.257   88.197   15.830   86.130   22.702   90.152   22.084  183.160   26.521  188.273   25.099 -5.112564 36.51472 
1 1 1    8   20   29 o  130.345   14.042   45.576   7.5173   51.818   9.3310   34.033   12.689  146.885   13.593  113.805   24.576 33.07947 28.08486 
1 1 1    8   20   30 o  173.441   18.009   73.752   14.598   73.752   14.598   0.0000   0.0000  173.441   18.009  ?   ?       ?      ? 
1 1 1    8   20   31 o  134.594   12.514   46.099   7.2848   60.556   10.217   31.147   10.390  158.768   13.769  110.420   20.899 48.34812 25.02723 
1 1 1    8   20   32 o  100.893   10.907   24.753   4.9905   20.856   6.7886   29.336   7.3614   91.397   16.500  110.389   14.269 -18.99200 21.81436 
1 1 1    8   20   33 o   54.873   12.699   7.1281   3.7457   6.4741   5.0838   7.9048   5.5399   52.616   17.592   57.130   18.320 -4.514015 25.39858 
1 1 1    8   20   34 o  164.707   18.494   70.549   13.555   52.664   18.719   90.266   19.655  139.513   29.624  189.900   22.146 -50.38702 36.98716 
1 1 1    8   20   35 o   70.299   12.972   12.464   4.3184   10.475   5.8535   14.839   6.3969   64.346   18.487   76.252   18.203 -11.90602 25.94386 
1 1 1    8   20   36 o  243.503   25.585  173.371   26.874  118.044   37.676  230.676   38.343  192.935   42.895  294.072   27.899 -101.1362 51.16988 
1 1 1    8   20   37 o  108.119   16.322   36.520   7.7029   44.991   9.1260   15.533   14.365  136.375   14.319   79.863   29.336 56.51229 32.64347 
1 1 1    8   20   38 o   83.135   24.716   18.355   10.308   18.355   10.308   0.0000   0.0000   83.135   24.716  ?   ?       ?      ? 
1 1 1    8   20   39 o   85.811   17.089   19.533   7.4524   12.430   10.378   27.097   10.709   70.900   25.076  100.721   23.225 -29.82097 34.17874 
1 1 1    8   20   40 f   59.856   20.390   8.7300   6.8311   0.0000   0.0000   8.7300   6.8311  ?   ?    59.856   20.390      ?      ? 
1 1 1    8   20   41 o   42.405   17.882   1.1735   6.0610   0.0000   0.0000   1.1735   6.0610  ?   ?    42.405   17.882      ?      ? 
1 1 1    8   20   42 f  109.186   25.704   33.136   12.899   0.0000   0.0000   33.136   12.899  ?   ?   109.186   25.704      ?      ? 
1 1 1    8   20   43 o  128.879   25.104   45.799   14.577   45.799   14.577   0.0000   0.0000  128.879   25.104  ?   ?       ?      ? 
1 1 1    8   20   44 o   62.939   25.054   8.0269   11.055   8.0269   11.055   0.0000   0.0000   62.939   25.054  ?   ?       ?      ? 
1 1 1    8   20   45 o   41.868   13.141  -0.8918   4.9354  -0.3558   6.0967  -1.9110   8.4065   39.657   17.337   44.079   19.753 -4.422760 26.28213 
1 1 1    8   20   46 o  171.339   20.196   89.667   14.101   72.448   24.348   98.356   17.297  147.917   35.642  194.761   19.003 -46.84456 40.39145 
1 1 1    8   20   47 o   76.786   15.448   16.569   6.1218   22.600   8.5733   10.295   8.7443   90.542   20.710   63.030   22.928 27.51189 30.89673 
1 1 1    8   20   48 o  123.601   11.254   36.959   6.3522   29.745   8.0512   48.853   10.338  108.358   15.899  138.844   15.932 -30.48618 22.50776 
1 1 1    8   20   49 o   39.735   12.148   0.7252   4.0140   1.7451   4.8929  -1.3742   7.0196   39.200   16.264   40.270   18.048 -1.070217 24.29504 
1 1 1    8   20   50 o   40.499   12.859  -0.1590   4.4585   0.5321   5.0791  -2.4802   9.3079   37.039   16.011   43.959   20.126 -6.920280 25.71777 
1 1 1    8   20   51 o   89.891   17.428   22.490   6.3147   20.837   6.9772   29.976   14.847   87.324   17.702   92.457   30.026 -5.133095 34.85583 
1 1 1    8   20   52 o   67.420   15.294   13.911   5.4485   15.514   6.2850   9.0637   10.931   74.550   18.198   60.290   24.586 14.26035 30.58821 
1 1 1    8   20   53 o   77.275   16.998   20.511   6.7351   21.727   7.7327   16.688   13.709   85.832   19.695   68.719   27.711 17.11380 33.99672 
1 1 1    8   20   54 o   42.152   12.901   0.3516   5.0998   6.2007   6.9217  -6.5941   7.5426   49.761   19.819   34.542   16.521 15.21878 25.80203 
1 1 1    8   20   55 o   75.708   16.256   20.913   6.7129   24.203   8.1048   13.724   11.980   88.921   19.989   62.494   25.641 26.42704 32.51147 
1 1 1    8   20   56 o   29.221   14.098  -6.5521   5.7735  -6.5521   5.7735   0.0000   0.0000   29.221   14.098  ?   ?       ?      ? 
1 1 1    8   20   57 o   38.866   18.170  -2.0611   8.1968  -2.0611   8.1968   0.0000   0.0000   38.866   18.170  ?   ?       ?      ? 
1 1 1    8   21    0 o  139.797   16.913   50.368   14.254   50.368   14.254   50.368   14.254  139.797   23.919  139.797   23.919 -0.000000 0.000000 
1 1 1    8   21    1 o   88.022   19.880   19.382   7.9851   0.0000   0.0000   19.382   7.9851  ?   ?    88.022   19.880      ?      ? 
1 1 1    8   21    2 o   69.647   20.002   11.990   6.8536   0.0000   0.0000   11.990   6.8536  ?   ?    69.647   20.002      ?      ? 
1 1 1    8   21    3 o  116.848   21.016   33.951   11.055   0.0000   0.0000   33.951   11.055  ?   ?   116.848   21.016      ?      ? 
1 1 1    8   21    4 o  119.562   19.727   34.471   11.023   0.0000   0.0000   34.471   11.023  ?   ?   119.562   19.727      ?      ? 
1 1 1    8   21    5 o  194.162   17.771   92.680   16.120   95.978   22.983   89.486   22.616  197.658   24.880  190.667   25.381 6.991333 35.54153 
1 1 1    8   21    6 o  128.259   14.411   39.690   8.6271   42.425   12.529   37.223   11.897  132.483   20.235  124.036   20.523 8.446915 28.82121 
1 1 1    8   21    7 f  473.039   41.562  599.909   91.883   0.0000   0.0000  599.909   91.883  ?   ?   473.039   41.562      ?      ? 
1 1 1    8   21    8 o  133.960   11.897   40.504   7.0699   50.928   12.598   35.712   8.5418  145.477   18.529  122.444   14.927 23.03263 23.79359 
1 1 1    8   21    9 o  303.727   23.423  225.988   33.249   0.0000   0.0000  225.988   33.249  ?   ?   303.727   23.423      ?      ? 
1 1 1    8   21   10 o  207.105   18.884  106.656   18.266  111.316   25.900  102.046   25.763  211.858   26.159  202.351   27.243 9.507004 37.76841 
1 1 1    8   21   11 o  204.756   18.847  105.107   17.734   84.079   25.004  126.394   25.157  182.686   29.286  226.827   23.732 -44.14059 37.69432 
1 1 1    8   21   12 o  262.319   17.663  162.093   20.761  199.072   35.997  143.663   25.413  282.284   27.286  242.353   22.437 39.93199 35.32645 
1 1 1    8   21   13 o  135.420   11.313   41.611   6.3041   48.842   12.712   39.253   7.2598  142.120   19.139  128.720   12.068 13.40067 22.62569 
1 1 1    8   21   14 f  113.507   14.434   37.943   6.6933   17.180   11.281   49.224   8.3151   82.949   26.093  144.064   12.350 -61.11477 28.86788 
1 1 1    8   21   15 o  143.409   12.477   50.105   7.1334   48.537   14.377   50.618   8.2159  140.718   21.862  146.099   12.033 -5.380417 24.95449 
1 1 1    8   21   16 o  246.512   17.518  144.868   19.317  174.418   33.528  130.186   23.633  262.886   27.290  230.138   21.973 32.74803 35.03639 
1 1 1    8   21   17 o  216.670   16.296  112.941   15.733  127.639   27.243  105.587   19.272  225.344   25.868  207.996   19.825 17.34816 32.59138 
1 1 1    8   21   18 o  132.798   13.950   47.254   6.8701   37.043   13.729   50.665   7.9351  119.513   25.364  146.083   11.623 -26.57058 27.90055 
1 1 1    8   21   19 o   61.760   16.959   9.5247   5.0445   0.0000   0.0000   9.5247   5.0445  ?   ?    61.760   16.959      ?      ? 
1 1 1    8   21   20 o  209.875   17.014  110.544   15.665  109.344   27.063  111.149   19.211  206.503   28.042  213.248   19.276 -6.744934 34.02849 
1 1 1    8   21   21 o  327.985   19.135  273.703   29.215  299.629   41.330  247.812   41.302  344.877   25.642  311.092   28.408 33.78546 38.26926 
1 1 1    8   21   22 o  298.196   17.009  226.943   22.804  198.013   36.000  246.331   29.471  278.945   27.615  317.447   19.865 -38.50272 34.01770 
1 1 1    8   21   23 o  314.864   18.885  268.863   25.460  184.512   40.150  325.594   32.927  264.599   32.468  365.128   19.296 -100.5284 37.76926 
1 1 1    8   21   24 o  199.583   11.676   96.866   10.644   93.991   16.773   98.804   13.773  196.317   18.281  202.849   14.528 -6.532501 23.35114 
1 1 1    8   21   25 o  111.192   9.1292   28.811   4.6781   34.453   7.4033   25.061   6.0359  119.963   13.205  102.422   12.610 17.54180 18.25849 
1 1 1    8   21   26 o  115.305   11.750   32.052   6.0631   31.313   7.5272   33.418   10.231  114.067   14.120  116.544   18.784 -2.477188 23.49953 
1 1 1    8   21   27 o  209.754   15.963  106.893   15.003   97.698   18.441  124.890   25.800  198.590   19.869  220.918   24.989 -22.32776 31.92516 
1 1 1    8   21   28 o  121.382   17.465   43.563   8.7907   50.945   10.463   25.846   16.209  145.109   15.428   97.656   31.339 47.45345 34.93078 
1 1 1    8   21   29 o  170.986   13.569   68.546   10.385   84.512   18.062   60.662   12.692  184.274   20.973  157.698   17.221 26.57549 27.13710 
1 1 1    8   21   30 o  107.435   16.194   34.365   7.2550   40.050   8.4873   18.941   13.980  129.031   14.074   85.838   29.170 43.19313 32.38789 
1 1 1    8   21   31 o  192.182   12.643   91.489   10.943   63.588   15.230  121.274   15.736  160.205   20.341  224.160   15.020 -63.95477 25.28568 
1 1 1    8   21   32 o  103.690   13.381   26.903   5.9692   26.955   7.3272   26.800   10.293  105.686   14.835  101.693   22.274 3.993393 26.76192 
1 1 1    8   21   33 o  128.691   11.267   40.253   6.7475   35.397   9.2836   45.690   9.8240  120.292   16.513  137.091   15.333 -16.79838 22.53452 
1 1 1    8   21   34 o   84.587   15.006   19.734   5.8504   22.302   6.9451   13.459   10.856   95.624   15.541   73.550   25.676 22.07428 30.01286 
1 1 1    8   21   35 o  101.008   16.013   29.318   6.9706   33.381   8.2192   18.910   13.156  117.288   14.994   84.727   28.300 32.56149 32.02663 
1 1 1    8   21   36 o   60.359   16.530   6.1893   6.7155   2.6014   8.8907   10.956   10.247   52.274   21.826   68.444   24.832 -16.17009 33.06077 
1 1 1    8   21   37 o  133.717   18.087   47.786   10.968   34.203   15.005   63.370   16.073  110.120   28.821  157.314   21.862 -47.19370 36.17411 
1 1 1    8   21   38 o  143.296   27.522   56.758   17.761   0.0000   0.0000   56.758   17.761  ?   ?   143.296   27.522      ?      ? 
1 1 1    8   21   39 o  166.880   26.063   74.859   20.327   0.0000   0.0000   74.859   20.327  ?   ?   166.880   26.063      ?      ? 
1 1 1    8   21   41 o   36.136   17.136  -8.0171   7.7685  -8.0171   7.7685   0.0000   0.0000   36.136   17.136  ?   ?       ?      ? 
1 1 1    8   21   42 o   93.823   27.860   25.580   13.103   25.580   13.103   0.0000   0.0000   93.823   27.860  ?   ?       ?      ? 
1 1 1    8   21   43 o   72.125   15.369   8.0583   7.6188   29.407   11.148 -10.6530   10.437  103.039   23.650   41.211   19.633 61.82755 30.73775 
1 1 1    8   21   44 o  162.172   16.371   69.001   11.555   65.254   13.911   77.337   20.750  159.120   18.706  165.224   26.872 -6.103500 32.74191 
1 1 1    8   21   45 o   79.222   14.836   17.860   5.7412   21.863   7.6907   12.822   8.6285   90.217   18.848   68.227   22.918 21.98998 29.67274 
1 1 1    8   21   46 o  148.761   12.837   57.587   8.8720   60.501   12.163   54.273   12.970  153.758   16.926  143.764   19.303 9.993530 25.67326 
1 1 1    8   21   47 o  115.707   17.347   46.447   9.4250   18.027   16.593   59.983   11.452   77.963   30.801  153.451   15.968 -75.48737 34.69455 
1 1 1    8   21   48 o   46.284   13.313   3.5639   4.6022   5.4695   5.9944   0.8279   7.1825   49.226   18.768   43.343   18.886 5.883575 26.62563 
1 1 1    8   21   49 o   88.856   15.342   23.531   6.3696   26.800   8.6912   19.738   9.3621   97.428   19.764   80.284   23.471 17.14324 30.68354 
1 1 1    8   21   50 o   89.275   15.991   18.339   5.7418   13.776   6.4236   36.474   12.807   69.985   19.104  108.564   25.648 -38.57931 31.98147 
1 1 1    8   21   51 o  122.546   12.023   39.492   6.7078   35.644   8.4376   46.101   11.057  116.036   15.559  129.057   18.333 -13.02110 24.04523 
1 1 1    8   21   52 o   58.077   18.571   9.8492   5.6959   9.8492   5.6959   0.0000   0.0000   58.077   18.571  ?   ?       ?      ? 
1 1 1    8   21   53 o   47.930   17.833   6.1404   5.3391   6.1404   5.3391   0.0000   0.0000   47.930   17.833  ?   ?       ?      ? 
1 1 1    8   21   54 o   43.207   12.019   2.7868   4.5179   8.4675   5.2037 -14.6037   9.1048   53.734   17.792   32.680   16.163 21.05324 24.03731 
1 1 1    8   21   55 o   39.995   17.636   1.4094   6.4323   1.4094   6.4323   0.0000   0.0000   39.995   17.636  ?   ?       ?      ? 
1 1 1    8   21   56 o   54.454   16.018   9.5152   6.1310   9.0848   6.9431   11.039   13.064   53.032   20.203   55.876   24.861 -2.844059 32.03502 
1 1 1    8   22    0 o  192.322   12.862   90.032   16.013   90.032   16.013   90.032   16.013  192.322   18.190  192.322   18.190 -0.000000 0.000000 
1 1 1    8   22    1 o  226.082   20.716  143.096   18.399   96.871   31.667  166.654   22.607  189.307   37.120  262.856   18.402 -73.54897 41.43108 
1 1 1    8   22    2 o  394.925   21.808  404.759   38.801  362.281   61.353  433.073   50.090  372.276   35.264  417.575   25.667 -45.29880 43.61531 
1 1 1    8   22    3 o  177.654   16.565   85.272   10.803   65.746   21.614   91.774   12.473  158.863   30.216  196.444   13.586 -37.58182 33.12984 
1 1 1    8   22    4 o  209.251   13.323   95.936   11.672  129.190   23.467   85.006   13.455  229.886   21.842  188.616   15.263 41.26956 26.64697 
1 1 1    8   22    5 o  210.724   14.996  105.682   12.859  113.852   25.790  102.978   14.835  213.881   25.801  207.566   15.293 6.314957 29.99228 
1 1 1    8   22    6 o   64.248   12.140   9.0019   3.3487   13.512   6.7099   7.5060   3.8643   73.370   19.307   55.127   14.722 18.24274 24.27908 
1 1 1    8   22    7 o  202.499   15.240   97.163   13.757  111.020   23.870   90.271   16.833  211.822   24.112  193.177   18.645 18.64503 30.48034 
1 1 1    8   22    8 f  300.754   20.420  223.420   24.919  242.513   49.950  217.094   28.752  303.213   35.249  298.295   20.624 4.918182 40.83940 
1 1 1    8   22    9 o  183.465   12.217   75.767   9.2509   93.043   18.725   70.188   10.640  195.217   20.524  171.713   13.259 23.50403 24.43389 
1 1 1    8   22   10 o  283.970   17.517  188.040   20.625  230.923   41.293  173.786   23.807  300.482   29.404  267.459   19.046 33.02243 35.03394 
1 1 1    8   22   11 o   54.652   12.428   7.3282   3.7473   2.6454   6.6748   9.4835   4.5283   47.618   19.289   61.685   15.675 -14.06654 24.85512 
1 1 1    8   22   12 o  155.715   16.194   69.313   9.0015   45.943   17.966   77.146   10.401  131.327   29.938  180.103   12.357 -48.77643 32.38787 
1 1 1    8   22   13 o  129.393   12.927   41.907   6.4157   39.757   12.928   42.610   7.3898  124.873   23.000  133.914   11.808 -9.041451 25.85413 
1 1 1    8   22   14 o  191.740   14.347   85.449   12.353  108.394   21.379   73.949   15.135  209.274   21.858  174.206   18.590 35.06865 28.69437 
1 1 1    8   22   15 o  174.195   13.591   72.531   11.064   0.0000   0.0000   72.531   11.064  ?   ?   174.195   13.591      ?      ? 
1 1 1    8   22   16 f  256.606   18.069  159.953   21.669   0.0000   0.0000  159.953   21.669  ?   ?   256.606   18.069      ?      ? 
1 1 1    8   22   17 o  177.006   13.358   70.392   10.585   99.463   18.492   56.225   12.909  201.810   19.606  152.203   18.148 49.60733 26.71574 
1 1 1    8   22   18 o  170.745   13.210   69.516   10.542   0.0000   0.0000   69.516   10.542  ?   ?   170.745   13.210      ?      ? 
1 1 1    8   22   19 o   89.153   12.814   23.010   4.5225   13.092   8.9828   26.377   5.2343   72.778   23.327  105.527   10.613 -32.74824 25.62804 
1 1 1    8   22   20 o  167.199   14.798   71.105   10.685   62.779   18.401   75.340   13.124  157.693   24.968  176.705   15.891 -19.01190 29.59629 
1 1 1    8   22   21 o  158.649   9.8596   59.897   7.2122   63.319   11.277   57.530   9.3817  162.165   14.880  155.133   12.940 7.031967 19.71921 
1 1 1    8   22   22 f  146.560   10.392   54.520   6.7059   40.623   10.491   64.121   8.7199  129.017   17.399  164.103   11.370 -35.08583 20.78474 
1 1 1    8   22   23 f  263.402   16.395  176.287   19.941  205.833   28.251  146.948   28.151  287.283   21.042  239.522   25.148 47.76035 32.78999 
1 1 1    8   22   24 o  185.549   11.796   84.416   10.097   69.322   14.257   99.604   14.302  168.101   18.148  202.997   15.075 -34.89685 23.59260 
1 1 1    8   22   25 o   53.701   10.651   6.6562   2.9451   10.872   4.4437   3.3544   3.9328   65.917   14.789   41.486   15.331 24.43136 21.30125 
1 1 1    8   22   26 f   93.522   10.586   21.112   4.6245   22.064   6.5891   20.189   6.4921   95.644   14.741   91.401   15.198 4.242897 21.17259 
1 1 1    8   22   27 o  167.667   15.071   68.917   10.951   66.899   13.164   73.453   19.735  165.679   17.002  169.655   24.890 -3.975937 30.14256 
1 1 1    8   22   28 o   63.271   12.354   9.5844   3.8147   6.7402   4.9833   13.610   5.9284   53.251   17.400   73.291   17.542 -20.04046 24.70789 
1 1 1    8   22   29 o  122.599   17.370   39.269   9.6036   39.108   13.436   39.437   13.732  122.451   24.335  122.747   24.791 -0.2961655 34.73924 
1 1 1    8   22   30 o  106.205   14.360   26.378   6.7927   39.069   11.523   19.619   8.4093  125.432   19.657   86.978   20.939 38.45403 28.71972 
1 1 1    8   22   31 o   84.585   17.981   19.286   7.7235   21.266   10.232   16.664   11.775   89.232   24.009   79.938   26.773 9.293930 35.96132 
1 1 1    8   22   32 o  145.793   16.552   52.039   11.278   52.039   11.278   0.0000   0.0000  145.793   16.552  ?   ?       ?      ? 
1 1 1    8   22   33 o  134.824   17.636   52.244   9.5287   58.623   11.372   37.206   17.459  155.127   15.685  114.520   31.593 40.60712 35.27261 
1 1 1    8   22   34 o   57.077   21.693   6.5649   7.9933   6.5649   7.9933   0.0000   0.0000   57.077   21.693  ?   ?       ?      ? 
1 1 1    8   22   35 o   91.592   27.430   23.284   12.663   0.0000   0.0000   23.284   12.663  ?   ?    91.592   27.430      ?      ? 
1 1 1    8   22   36 o  149.189   18.575   55.860   12.951   0.0000   0.0000   55.860   12.951  ?   ?   149.189   18.575      ?      ? 
1 1 1    8   22   37 o  114.880   26.003   36.518   13.636   0.0000   0.0000   36.518   13.636  ?   ?   114.880   26.003      ?      ? 
1 1 1    8   22   39 o   62.675   23.397   9.0973   9.2059   9.0973   9.2059   0.0000   0.0000   62.675   23.397  ?   ?       ?      ? 
1 1 1    8   22   40 o   53.695   20.071   6.2791   6.7789   6.2791   6.7789   0.0000   0.0000   53.695   20.071  ?   ?       ?      ? 
1 1 1    8   22   41 o   58.717   15.469   4.6303   5.3896   0.5900   6.2925   15.758   10.443   41.748   17.932   75.686   25.211 -33.93773 30.93819 
1 1 1    8   22   42 o  129.869   27.506   49.093   16.175   0.0000   0.0000   49.093   16.175  ?   ?   129.869   27.506      ?      ? 
1 1 1    8   22   43 o   74.147   16.874   13.525   6.1380   22.218   11.677   10.206   7.2152   86.222   26.453   62.072   20.957 24.14960 33.74796 
1 1 1    8   22   44 o  176.451   12.785   80.797   10.514   74.919   14.923   86.593   14.817  169.304   18.860  183.597   17.268 -14.29283 25.57095 
1 1 1    8   22   45 o   65.771   15.727   11.474   5.4959   10.867   6.6772   12.751   9.6771   63.408   20.090   68.135   24.202 -4.727009 31.45371 
1 1 1    8   22   46 o   86.002   19.274   20.424   7.5551   20.424   7.5551   0.0000   0.0000   86.002   19.274  ?   ?       ?      ? 
1 1 1    8   22   47 o  144.764   14.657   54.161   9.4492   43.794   11.433   76.508   16.786  126.204   19.384  163.325   21.991 -37.12132 29.31424 
1 1 1    8   22   48 o  162.866   13.621   72.175   10.366   70.655   14.508   73.760   14.816  161.109   19.268  164.624   19.257 -3.515015 27.24148 
1 1 1    8   22   49 o  134.554   17.340   54.975   10.353   57.011   16.632   53.686   13.229  131.584   27.911  137.524   20.582 -5.940186 34.67958 
1 1 1    8   22   50 o   57.756   15.974   8.4929   6.8701   15.664   9.4181   0.3377   10.044   68.891   23.923   46.620   21.175 22.27147 31.94789 
1 1 1    8   22   51 o   56.258   20.339   9.4125   6.8660   9.4125   6.8660   0.0000   0.0000   56.258   20.339  ?   ?       ?      ? 
1 1 1    8   22   52 o   43.346   13.502   2.1849   5.1816   3.4763   6.2373  -0.6912   9.3083   43.361   18.205   43.331   19.944 0.3066635E-01 27.00338 
1 1 1    8   22   53 o   60.315   17.165   12.276   7.3686   13.159   11.277   11.618   9.7339   61.368   24.993   59.262   23.535 2.106041 34.32977 
1 1 1    8   22   54 f   62.133   15.917   14.586   6.2600   16.370   7.0306   7.7575   13.752   70.511   20.261   53.754   24.555 16.75634 31.83481 
1 1 1    8   23    0 o   41.318   14.095   5.9926   4.4699   5.9926   4.4699   5.9926   4.4699   41.318   19.933   41.318   19.933 -0.000000 0.000000 
1 1 1    8   23    1 o   71.316   11.032   12.640   3.5639   12.144   4.8223   13.238   5.2903   69.831   15.207   72.802   15.986 -2.970947 22.06400 
1 1 1    8   23    2 o  148.228   9.7576   52.388   6.6142   51.816   8.5016   53.265   10.528  147.546   12.329  148.909   15.127 -1.363174 19.51527 
1 1 1    8   23    3 o   62.163   13.669   8.7662   4.8263   2.7404   6.8558   14.687   6.7956   48.184   19.538   76.143   19.123 -27.95856 27.33888 
1 1 1    8   23    4 o   84.204   15.092   18.137   5.9507   19.189   8.4749   17.113   8.3574   86.628   21.123   81.780   21.560 4.847702 30.18318 
1 1 1    8   23    5 o  262.969   34.175  185.012   42.001   0.0000   0.0000  185.012   42.001  ?   ?   262.969   34.175      ?      ? 
1 1 1    8   23    6 o   91.281   11.787   18.952   4.7643   26.959   8.1729   14.831   5.8636  105.625   16.556   76.936   16.780 28.68954 23.57306 
1 1 1    8   23    7 f  213.069   14.536  105.793   12.766  124.619   25.608   99.566   14.726  222.723   24.601  203.414   15.491 19.30978 29.07216 
1 1 1    8   23    8 o  223.139   17.157  128.053   15.100  117.718   30.189  131.501   17.437  212.695   30.370  233.583   15.973 -20.88840 34.31473 
1 1 1    8   23    9 o  435.635   52.575  771.378   80.932  564.532  161.801  840.400   93.465  313.360   98.851  557.910   35.846 -244.5506 105.1496 
1 1 1    8   23   10 o  121.822   15.116   45.452   6.7124   23.092   13.310   53.079   7.7733   94.020   28.115  149.624   11.116 -55.60372 30.23264 
1 1 1    8   23   11 o  159.173   15.711   60.913   11.687   0.0000   0.0000   60.913   11.687  ?   ?   159.173   15.711      ?      ? 
1 1 1    8   23   12 o  290.898   19.578  206.598   26.617   0.0000   0.0000  206.598   26.617  ?   ?   290.898   19.578      ?      ? 
1 1 1    8   23   13 o  200.258   14.629   96.826   12.972  103.717   22.511   93.400   15.872  204.042   23.606  196.473   17.286 7.568863 29.25813 
1 1 1    8   23   14 o  270.857   24.528  211.374   26.329  156.403   45.517  239.016   32.276  231.221   43.723  310.493   22.243 -79.27196 49.05551 
1 1 1    8   23   15 f  178.902   12.863   73.985   9.4854   86.806   19.032   69.748   10.941  187.098   21.765  170.705   13.714 16.39279 25.72575 
1 1 1    8   23   16 o  146.778   12.578   52.006   7.4255   53.476   14.976   51.526   8.5506  146.599   21.859  146.956   12.450 -0.3570099 25.15558 
1 1 1    8   23   17 f  122.883   13.164   39.142   6.1310   34.323   12.281   40.742   7.0758  114.964   23.647  130.802   11.575 -15.83832 26.32750 
1 1 1    8   23   18 o  177.132   13.321   73.727   9.6535   84.680   19.474   70.159   11.115  183.439   22.716  170.825   13.923 12.61432 26.64298 
1 1 1    8   23   19 o   97.333   13.611   27.788   5.1205   16.316   10.297   31.557   5.9020   79.507   24.916  115.159   10.966 -35.65190 27.22216 
1 1 1    8   23   20 o  243.313   25.275  168.719   26.297  228.212   37.301  109.933   37.079  296.686   26.902  189.940   42.797 106.7458 50.55010 
1 1 1    8   23   21 o  110.001   12.226   29.416   5.2195   30.985   10.647   28.920   5.9886  109.855   21.507  110.146   11.633 -0.2914124 24.45194 
1 1 1    8   23   22 o  232.300   13.366  135.546   14.011  119.620   22.057  146.319   18.142  218.858   21.565  245.743   15.796 -26.88431 26.73161 
1 1 1    8   23   23 o   62.475   11.889   9.9204   3.6062   11.932   4.9279   7.6018   5.2912   68.920   15.656   56.030   17.897 12.89058 23.77851 
1 1 1    8   23   24 o  131.438   9.9547   40.014   5.8439   60.445   9.1817   26.101   7.5766  159.046   12.353  103.830   15.614 55.21541 19.90930 
1 1 1    8   23   25 o  124.247   9.9605   38.439   5.5441   31.006   8.6142   43.696   7.2439  113.029   16.307  135.464   11.442 -22.43532 19.92098 
1 1 1    8   23   26 o  360.250   19.146  335.746   31.538  337.746   49.831  334.410   40.734  357.366   29.836  363.133   24.002 -5.767059 38.29209 
1 1 1    8   23   27 o  187.565   12.474   87.633   10.642  109.952   15.075   65.458   15.026  212.930   15.149  162.201   19.822 50.72865 24.94809 
1 1 1    8   23   28 o  293.109   24.093  238.781   30.987  230.821   37.868  254.916   53.910  294.741   27.491  291.477   39.575 3.263977 48.18633 
1 1 1    8   23   29 f  155.815   14.787   61.039   10.048   61.009   12.240   61.101   17.597  157.812   16.596  153.819   24.479 3.993103 29.57434 
1 1 1    8   23   30 o  129.857   17.878   43.928   10.608   36.097   14.378   53.283   15.714  115.269   27.140  144.444   23.278 -29.17512 35.75536 
1 1 1    8   23   31 o   74.565   17.522   14.145   6.9902   13.939   8.8264   14.490   11.449   73.383   23.080   75.747   26.372 -2.363823 35.04480 
1 1 1    8   23   32 o  158.981   18.613   67.785   13.482   61.323   18.850   74.552   19.289  149.166   28.070  168.796   24.451 -19.62999 37.22636 
1 1 1    8   23   33 o   80.618   19.421   16.977   7.2306   0.0000   0.0000   16.977   7.2306  ?   ?    80.618   19.421      ?      ? 
1 1 1    8   23   34 o   65.391   19.553   11.056   6.4379   0.0000   0.0000   11.056   6.4379  ?   ?    65.391   19.553      ?      ? 
1 1 1    8   23   35 f   38.058   17.221  -2.7427   6.5681   0.0000   0.0000  -2.7427   6.5681  ?   ?    38.058   17.221      ?      ? 
1 1 1    8   23   37 o  191.230   18.851   93.113   16.847   93.113   16.847   0.0000   0.0000  191.230   18.851  ?   ?       ?      ? 
1 1 1    8   23   38 o   92.841   19.340   22.751   8.1193   22.751   8.1193   0.0000   0.0000   92.841   19.340  ?   ?       ?      ? 
1 1 1    8   23   39 f  133.538   14.415   39.901   8.1377   26.852   9.6440   72.160   15.164   99.727   21.337  167.349   19.389 -67.62212 28.83026 
1 1 1    8   23   40 o  169.333   21.060   85.007   16.017  105.454   23.161   66.264   22.175  194.435   25.488  144.232   33.532 50.20277 42.11954 
1 1 1    8   23   41 o  128.236   14.957   39.827   8.3034   26.787   10.122   66.652   14.518   97.478   22.651  158.993   19.538 -61.51527 29.91346 
1 1 1    8   23   42 o   70.405   15.894   14.108   5.9858   16.175   7.4277   10.280   10.109   76.650   20.382   64.159   24.394 12.49108 31.78824 
1 1 1    8   23   43 o  106.423   18.039   33.099   8.9806   25.011   12.236   42.545   13.223   90.724   26.917  122.122   24.024 -31.39774 36.07880 
1 1 1    8   23   44 o   75.406   19.942   15.930   7.1354   0.0000   0.0000   15.930   7.1354  ?   ?    75.406   19.942      ?      ? 
1 1 1    8   23   45 o   55.366   15.647   6.6458   5.6454   9.6393   10.557   5.4469   6.6809   60.976   24.413   49.756   19.580 11.22016 31.29485 
1 1 1    8   23   46 o   46.996   14.793  -0.6167   6.5888   4.3793   9.9386  -4.5343   8.8008   53.172   22.680   40.820   18.998 12.35186 29.58507 
1 1 1    8   23   47 o   53.165   15.113   6.3546   5.3145   5.4168   10.590   6.6702   6.1442   54.818   23.397   51.512   19.137 3.306557 30.22699 
1 1 1    8   23   48 o   57.835   20.428   9.7922   6.8847   9.7922   6.8847   0.0000   0.0000   57.835   20.428  ?   ?       ?      ? 
1 1 1    8   23   49 o   75.541   20.762   17.684   7.5564   17.684   7.5564   0.0000   0.0000   75.541   20.762  ?   ?       ?      ? 
1 1 1    8   23   50 o   85.904   18.136   27.270   8.2383   34.095   11.423   19.871   11.893   99.951   24.616   71.858   26.640 28.09282 36.27116 
1 1 1    8   23   51 o  103.752   17.444   37.395   8.2212   35.497   13.381   38.546   10.420   95.636   28.088  111.868   20.693 -16.23232 34.88741 
1 1 1    8   23   52 o   70.650   16.495   18.887   6.7498   13.216   11.352   21.988   8.3950   60.109   24.843   81.190   21.706 -21.08128 32.98964 
1 1 1    8   23   53 o   47.484   14.812   4.9818   6.4762   7.5611   7.4692  -2.8306   12.999   50.134   20.370   44.835   21.508 5.298775 29.62317 
1 1 1    8   24    0 o  101.440   8.6088   25.266   5.5517   25.266   5.5517   25.266   5.5517  101.440   12.175  101.440   12.175 -0.000000 0.000000 
1 1 1    8   24    1 o  329.645   22.086  278.906   29.342  293.251   58.595  274.105   33.898  326.239   38.431  333.050   21.778 -6.810303 44.17281 
1 1 1    8   24    2 o  403.496   21.829  421.614   40.402  440.644   63.876  408.924   52.162  407.211   33.564  399.781   27.919 7.429535 43.65756 
1 1 1    8   24    3 o  265.708   14.337  173.001   17.446  174.780   27.564  171.812   22.534  265.572   22.208  265.845   18.137 -0.2734375 28.67357 
1 1 1    8   24    4 o  121.874   12.953   36.839   6.7553   35.833   11.575   37.358   8.3189  118.872   21.632  124.876   14.254 -6.004166 25.90631 
1 1 1    8   24    5 o  167.068   12.903   66.349   8.7015   71.216   17.651   64.787   10.001  169.364   22.299  164.772   12.988 4.592575 25.80580 
1 1 1    8   24    6 o   83.129   11.360   13.650   4.1430   30.111   7.7608   7.0890   4.8995  111.950   14.833   54.308   17.209 57.64212 22.71951 
1 1 1    8   24    7 o   68.930   15.646   11.888   4.9250   0.0000   0.0000   11.888   4.9250  ?   ?    68.930   15.646      ?      ? 
1 1 1    8   24    8 o  115.624   12.252   31.655   6.3002   35.274   10.936   29.857   7.7076  119.837   19.527  111.410   14.803 8.426239 24.50405 
1 1 1    8   24    9 o   42.757   11.878   1.6854   3.3682   5.6821   5.9217  -0.2260   4.0952   52.054   18.878   33.460   14.420 18.59486 23.75584 
1 1 1    8   24   10 o  145.587   16.598   54.069   11.004   58.481   15.486   49.568   15.640  153.218   21.626  137.955   25.185 15.26366 33.19657 
1 1 1    8   24   11 o   88.347   12.721   18.293   4.8143   24.420   8.6307   15.526   5.8006   98.032   19.524   78.663   16.313 19.36822 25.44235 
1 1 1    8   24   12 o  212.137   20.610  128.363   17.362   93.150   29.916  146.246   21.319  180.402   36.731  243.873   18.705 -63.47116 41.22001 
1 1 1    8   24   13 o   92.262   12.784   27.189   5.7380   2.4466   9.7073   40.477   7.1139   54.257   22.742  130.268   11.685 -76.01099 25.56805 
1 1 1    8   24   14 f   90.269   13.912   20.275   5.8922   28.544   8.7428   13.394   7.9756  108.082   17.308   72.456   21.786 35.62584 27.82441 
1 1 1    8   24   15 o   84.662   12.535   16.137   4.8428   27.312   8.1599   10.060   6.0171  105.968   16.477   63.357   18.894 42.61108 25.06911 
1 1 1    8   24   16 o  156.317   13.481   58.883   9.3086   64.259   16.296   56.280   11.341  160.288   21.753  152.347   15.929 7.941605 26.96156 
1 1 1    8   24   17 o   56.942   13.175   6.8967   3.9112   11.025   6.7802   4.8377   4.7881   66.278   20.122   47.605   17.012 18.67330 26.34989 
1 1 1    8   24   18 o   81.113   11.793   13.578   4.3455   28.261   7.7917   6.9495   5.2352  108.085   15.425   54.141   17.842 53.94406 23.58516 
1 1 1    8   24   19 o  136.628   14.062   47.233   8.0555   45.093   14.192   48.250   9.7844  131.848   23.912  141.408   14.805 -9.560760 28.12431 
1 1 1    8   24   20 o  147.915   16.840   56.554   11.082   42.460   15.523   71.202   15.825  126.192   27.128  169.637   19.961 -43.44514 33.68039 
1 1 1    8   24   21 f   97.205   13.188   23.068   5.5794   25.292   9.6442   21.949   6.8402   99.110   21.444   95.299   15.358 3.811302 26.37651 
1 1 1    8   24   22 o  214.297   16.060  113.932   15.230  120.220   26.312  110.764   18.676  216.326   26.025  212.268   18.826 4.057571 32.12060 
1 1 1    8   24   23 o  172.389   11.855   72.791   9.4990   80.674   13.375   64.769   13.493  182.293   15.699  162.485   17.768 19.80827 23.71054 
1 1 1    8   24   24 o  107.479   11.394   28.878   5.3542   19.387   7.3800   39.425   7.7796   86.965   18.713  127.993   13.006 -41.02811 22.78852 
1 1 1    8   24   25 o   88.925   16.095   20.449   6.6405   17.860   8.6102   24.249   10.432   82.404   21.960   95.446   23.535 -13.04140 32.18906 
1 1 1    8   24   26 o  181.199   15.464   80.078   12.537   93.655   21.631   73.209   15.384  190.753   24.264  171.644   19.178 19.10904 30.92769 
1 1 1    8   24   27 o   88.295   16.177   20.414   6.7051   22.421   10.047   18.803   9.0036   92.021   23.329   84.569   22.418 7.451393 32.35446 
1 1 1    8   24   28 o  141.044   15.386   48.541   10.142   0.0000   0.0000   48.541   10.142  ?   ?   141.044   15.386      ?      ? 
1 1 1    8   24   29 o   82.770   15.255   17.243   5.6627   21.032   10.035   15.472   6.8590   88.387   23.775   77.154   19.119 11.23244 30.50922 
1 1 1    8   24   30 o  217.129   20.299  119.683   20.598   0.0000   0.0000  119.683   20.598  ?   ?   217.129   20.299      ?      ? 
1 1 1    8   24   31 o   69.772   24.854   12.107   10.212   0.0000   0.0000   12.107   10.212  ?   ?    69.772   24.854      ?      ? 
1 1 1    8   24   32 o   68.964   23.130   12.244   8.7890   0.0000   0.0000   12.244   8.7890  ?   ?    68.964   23.130      ?      ? 
1 1 1    8   24   34 o  163.332   26.214   72.935   20.010   72.935   20.010   0.0000   0.0000  163.332   26.214  ?   ?       ?      ? 
1 1 1    8   24   35 o   87.405   19.478   20.221   7.7532   20.221   7.7532   0.0000   0.0000   87.405   19.478  ?   ?       ?      ? 
1 1 1    8   24   36 o  134.875   13.831   43.736   8.3736   36.071   10.242   59.189   14.542  118.958   18.422  150.793   20.636 -31.83453 27.66219 
1 1 1    8   24   37 o   59.390   14.402   8.9129   4.9737   11.313   6.4391   5.3629   7.8313   65.349   19.558   53.432   21.144 11.91701 28.80302 
1 1 1    8   24   38 o  200.587   13.911  105.679   12.927  120.976   18.377   90.699   18.186  216.610   18.154  184.563   21.084 32.04706 27.82222 
1 1 1    8   24   39 o  163.945   13.569   71.390   10.113   88.489   14.309   54.324   14.294  186.231   16.440  141.659   21.591 44.57175 27.13782 
1 1 1    8   24   40 o  123.254   17.764   50.400   9.3738   27.088   16.808   60.924   11.293   91.155   31.941  155.352   15.555 -64.19660 35.52719 
1 1 1    8   24   41 o   96.252   16.512   30.078   7.6801   15.154   14.198   36.251   9.1313   73.495   28.654  119.010   16.417 -45.51561 33.02437 
1 1 1    8   24   42 o   71.873   18.208   14.969   7.8234   19.635   11.669   11.158   10.545   79.273   26.651   64.473   24.816 14.80009 36.41603 
1 1 1    8   24   43 o  104.661   16.629   31.993   7.6082   29.720   9.3435   36.465   13.107  102.318   20.256  107.004   26.377 -4.685577 33.25755 
1 1 1    8   24   44 o  111.335   15.642   34.070   7.4774   30.179   9.0904   42.213   13.149  104.294   19.363  118.375   24.572 -14.08056 31.28429 
1 1 1    8   24   45 o   78.050   15.783   18.947   6.1196   15.251   10.169   21.046   7.6624   70.062   24.818   86.039   19.506 -15.97682 31.56598 
1 1 1    8   24   46 o   80.958   19.797   19.433   7.4281   19.433   7.4281   0.0000   0.0000   80.958   19.797  ?   ?       ?      ? 
1 1 1    8   24   47 o   54.166   14.590   8.3191   5.2841   10.476   6.5977   4.4602   8.8245   59.022   20.039   49.309   21.210 9.713032 29.17900 
1 1 1    8   24   48 o   78.373   25.476   22.351   10.688   22.351   10.688   0.0000   0.0000   78.373   25.476  ?   ?       ?      ? 
1 1 1    8   24   49 o   74.046   16.093   18.707   6.0946   17.605   10.079   19.342   7.6520   69.786   24.710   78.307   20.623 -8.520813 32.18507 
1 1 1    8   24   50 o   44.962   18.331   4.7476   6.0750   0.0000   0.0000   4.7476   6.0750  ?   ?    44.962   18.331      ?      ? 
1 1 1    8   24   51 o   50.863   14.725   7.6942   5.3868   7.2031   6.6315   8.6469   9.2362   49.258   19.469   52.469   22.097 -3.210403 29.45030 
1 1 1    8   25    0 o  170.035   8.7986   69.418   9.7664   69.418   9.7664   69.418   9.7664  170.035   12.443  170.035   12.443 -0.000000 0.000000 
1 1 1    8   25    1 o  191.935   17.185  100.693   12.220   81.879   24.342  107.033   14.130  173.134   31.233  210.736   14.347 -37.60229 34.37073 
1 1 1    8   25    2 f  132.226   9.0706   40.406   5.5052   51.969   8.7660   32.876   7.0742  147.321   12.732  117.131   12.923 30.19020 18.14123 
1 1 1    8   25    3 o  277.173   13.919  188.617   17.718  198.281   28.011  182.171   22.876  281.749   21.273  272.598   17.957 9.150604 27.83828 
1 1 1    8   25    4 o  112.544   9.1516   30.014   4.7529   32.434   7.4365   28.342   6.1799  116.169   13.697  108.918   12.140 7.251236 18.30318 
1 1 1    8   25    5 o  170.313   13.298   69.594   10.585   0.0000   0.0000   69.594   10.585  ?   ?   170.313   13.298      ?      ? 
1 1 1    8   25    6 o  165.606   18.962   90.806   10.838   40.633   21.474  107.954   12.554  118.813   35.753  212.399   12.647 -93.58521 37.92409 
1 1 1    8   25    7 f  100.664   12.676   25.835   4.8481   24.056   10.040   26.375   5.5364   96.079   22.717  105.250   11.255 -9.170982 25.35239 
1 1 1    8   25    8 o  218.090   19.607  133.281   15.637  106.281   31.277  142.279   18.056  193.962   35.824  242.217   15.951 -48.25461 39.21420 
1 1 1    8   25    9 o  170.931   13.735   71.360   9.4063   73.460   19.039   70.682   10.819  170.237   23.930  171.625   13.489 -1.387360 27.46937 
1 1 1    8   25   10 o  123.213   11.534   35.351   5.7797   40.060   11.749   33.848   6.6385  127.317   19.745  119.109   11.926 8.208336 23.06730 
1 1 1    8   25   11 o   95.634   14.031   25.703   5.7983   15.620   10.057   30.724   7.0964   78.101   24.646  113.168   13.418 -35.06609 28.06160 
1 1 1    8   25   12 o  164.770   13.570   68.783   8.8402   63.034   17.668   70.703   10.210  157.645   23.981  171.895   12.709 -14.24973 27.14070 
1 1 1    8   25   13 f  188.415   21.271  118.495   13.718   55.359   27.237  139.953   15.879  135.635   40.142  241.195   14.087 -105.5600 42.54174 
1 1 1    8   25   14 o  310.064   20.020  238.990   25.425  278.613   50.943  225.846   29.340  318.783   34.194  301.345   20.833 17.43835 40.04030 
1 1 1    8   25   15 o  271.503   20.245  187.374   24.462  212.253   42.343  174.911   29.969  280.679   32.279  262.326   24.445 18.35352 40.49095 
1 1 1    8   25   16 o  163.021   13.392   60.601   9.8143   85.407   16.900   47.978   12.056  186.158   19.425  139.885   18.440 46.27338 26.78372 
1 1 1    8   25   17 o  149.727   13.999   56.037   9.2622   53.144   15.616   57.607   11.504  145.291   22.997  154.163   15.968 -8.871826 27.99708 
1 1 1    8   25   18 o  234.247   18.379  139.766   19.023  147.025   32.854  136.105   23.332  235.219   29.886  233.275   21.401 1.944183 36.75843 
1 1 1    8   25   19 o  269.944   19.066  186.202   20.781  200.659   41.637  181.405   23.982  269.320   33.080  270.567   18.966 -1.246582 38.13122 
1 1 1    8   25   20 o   81.546   13.240   19.251   5.0726   8.5040   8.8472   24.514   6.1914   62.224   22.994  100.869   13.134 -38.64497 26.48097 
1 1 1    8   25   21 o  217.319   15.784  112.309   15.378  150.961   26.802   93.340   18.776  242.206   23.678  192.431   20.877 49.77563 31.56728 
1 1 1    8   25   22 o   35.692   10.057  -0.7767   3.2475 -12.8885   5.8273   4.6797   3.9112   26.083   12.905   45.301   15.429 -19.21809 20.11459 
1 1 1    8   25   23 o   81.526   11.894   15.372   4.0466   20.741   7.6970   13.320   4.7571   90.018   18.898   73.035   14.449 16.98338 23.78847 
1 1 1    8   25   24 o   54.842   12.839   6.1806   3.3734   9.9984   7.0008   5.0261   3.8498   63.423   20.619   46.260   15.302 17.16288 25.67713 
1 1 1    8   25   25 o   57.636   13.102   7.7426   3.6447   9.1849   7.1871   7.2433   4.2289   61.471   20.915   53.800   15.788 7.670773 26.20456 
1 1 1    8   25   26 o   77.017   24.411   15.725   9.8579   0.0000   0.0000   15.725   9.8579  ?   ?    77.017   24.411      ?      ? 
1 1 1    8   25   27 o   57.090   13.753   7.9056   4.3606   6.7071   7.1025   8.6306   5.5243   55.635   20.594   58.545   18.234 -2.910114 27.50625 
1 1 1    8   25   28 o   77.751   14.471   15.242   5.2661   20.200   8.4882   12.140   6.7145   87.257   21.056   68.245   19.856 19.01245 28.94140 
1 1 1    8   25   29 o   35.183   16.223  -4.0658   6.1967   0.0000   0.0000  -4.0658   6.1967  ?   ?    35.183   16.223      ?      ? 
1 1 1    8   25   30 o  146.244   24.275   56.929   16.591   0.0000   0.0000   56.929   16.591  ?   ?   146.244   24.275      ?      ? 
1 1 1    8   25   31 o  128.279   25.807   45.733   14.936   45.733   14.936   0.0000   0.0000  128.279   25.807  ?   ?       ?      ? 
1 1 1    8   25   32 o   74.745   18.439   14.702   6.4010   14.702   6.4010   0.0000   0.0000   74.745   18.439  ?   ?       ?      ? 
1 1 1    8   25   33 o   84.757   15.974   20.343   6.2826   21.939   7.5756   16.829   11.243   91.597   18.336   77.918   26.161 13.67955 31.94719 
1 1 1    8   25   34 f  136.264   12.233   47.719   7.6063   56.905   10.551   37.778   10.975  151.492   14.902  121.035   19.403 30.45666 24.46548 
1 1 1    8   25   35 o   66.948   14.848   12.903   5.8585  -0.0000   11.366   17.570   6.8366   52.563   23.297   81.334   18.414 -28.77121 29.69588 
1 1 1    8   25   36 o   59.884   12.483   9.2249   5.3787   17.603   6.1857 -16.7466   10.891   81.869   16.732   37.900   18.528 43.96878 24.96504 
1 1 1    8   25   37 o  129.844   12.356   43.454   7.4924   45.135   10.589   41.768   10.603  132.626   17.083  127.061   17.856 5.566010 24.71148 
1 1 1    8   25   38 o   52.443   13.595   6.3597   4.4225   4.5017   6.3664   8.0923   6.1480   48.538   19.110   56.347   19.342 -7.808605 27.18995 
1 1 1    8   25   39 o  129.103   16.035   47.860   8.8448   51.086   11.071   42.166   14.705  140.653   16.842  117.554   27.291 23.09923 32.06990 
1 1 1    8   25   40 o   98.922   15.219   30.633   7.0039   38.924   8.9552   17.571   11.240  122.744   15.611   75.100   26.131 47.64336 30.43879 
1 1 1    8   25   41 o  106.108   19.699   31.625   9.4092   31.625   9.4092   0.0000   0.0000  106.108   19.699  ?   ?       ?      ? 
1 1 1    8   25   42 o   84.349   14.670   22.736   6.5627   30.904   8.2175   8.3542   10.905  108.875   16.150   59.823   24.494 49.05235 29.33927 
1 1 1    8   25   43 o   73.422   16.155   15.757   5.9458   13.209   7.4095   20.365   9.9643   66.812   21.162   80.031   24.415 -13.21855 32.31003 
1 1 1    8   25   44 o   54.998   14.855   8.4224   5.2134   9.1048   6.3139   6.9605   9.2418   56.186   19.583   53.810   22.342 2.376476 29.70928 
1 1 1    8   25   45 o   42.180   19.232  -0.7358   8.3866   0.0000   0.0000  -0.7358   8.3866  ?   ?    42.180   19.232      ?      ? 
1 1 1    8   25   46 o   94.080   27.233   33.091   12.660   33.091   12.660   0.0000   0.0000   94.080   27.233  ?   ?       ?      ? 
1 1 1    8   25   47 o   68.490   15.920   14.421   5.6819   21.627   9.8283   10.804   6.9635   78.278   24.311   58.703   20.560 19.57431 31.83925 
1 1 1    8   25   48 o   87.630   15.677   27.836   6.8873   18.961   11.802   32.420   8.4815   68.829   26.312  106.431   17.051 -37.60185 31.35355 
1 1 1    8   25   49 o   73.181   14.173   18.149   5.3980   11.078   7.7570   24.789   7.5165   56.781   21.421   89.582   18.564 -32.80043 28.34549 
1 1 1    8   26    0 o  289.998   11.537  202.197   21.953  202.197   21.953  202.197   21.953  289.998   16.316  289.998   16.316 -0.000000 0.000000 
1 1 1    8   26    1 o  187.598   12.754   86.955   10.991   69.163   15.509  104.904   15.577  167.234   19.844  207.962   16.027 -40.72836 25.50807 
1 1 1    8   26    2 o  114.955   9.1944   30.313   4.7593   44.690   7.5457   20.814   6.1331  136.891   11.794   93.019   14.108 43.87227 18.38878 
1 1 1    8   26    3 o  229.075   12.970  130.512   13.472  120.076   21.268  137.505   17.411  219.834   20.701  238.316   15.632 -18.48245 25.93979 
1 1 1    8   26    4 f   80.579   10.477   16.338   3.7305   14.129   5.8942   17.815   4.8183   74.746   17.227   86.412   11.931 -11.66602 20.95490 
1 1 1    8   26    5 o  213.109   13.223  111.617   13.157  105.833   18.566  117.453   18.647  207.300   19.163  218.919   18.226 -11.61929 26.44630 
1 1 1    8   26    6 o   91.562   13.276   23.796   4.7916   15.363   9.6411   26.563   5.5219   77.467   24.082  105.658   11.183 -28.19022 26.55142 
1 1 1    8   26    7 f  197.090   14.540   93.556   13.393   0.0000   0.0000   93.556   13.393  ?   ?   197.090   14.540      ?      ? 
1 1 1    8   26    8 o  125.238   11.710   37.378   6.8538   0.0000   0.0000   37.378   6.8538  ?   ?   125.238   11.710      ?      ? 
1 1 1    8   26    9 o  220.345   15.827  117.588   16.298   0.0000   0.0000  117.588   16.298  ?   ?   220.345   15.827      ?      ? 
1 1 1    8   26   10 o  163.492   11.403   56.974   7.8390   84.317   15.843   48.110   9.0207  185.430   18.281  141.554   13.636 43.87563 22.80655 
1 1 1    8   26   11 o   70.165   13.336   11.044   4.3752   18.378   7.6431   7.4694   5.3360   84.659   19.689   55.670   17.993 28.98948 26.67253 
1 1 1    8   26   12 o   55.382   12.674   6.4415   3.3624   10.073   6.7293   5.2332   3.8816   63.677   20.167   47.087   15.356 16.58924 25.34765 
1 1 1    8   26   13 o  169.668   14.280   72.903   9.6529   69.834   19.264   73.932   11.154  164.230   25.098  175.106   13.630 -10.87584 28.56037 
1 1 1    8   26   14 o  110.704   14.167   37.283   5.8825   20.137   11.483   43.383   6.8495   86.575   26.165  134.833   10.870 -48.25874 28.33326 
1 1 1    8   26   15 o  204.576   18.440  103.844   17.630   0.0000   0.0000  103.844   17.630  ?   ?   204.576   18.440      ?      ? 
1 1 1    8   26   16 o   60.071   13.329   6.9951   5.3801   16.597   7.0891  -6.0480   8.2622   80.211   19.172   39.930   18.524 40.28048 26.65863 
1 1 1    8   26   17 o   86.405   12.058   15.922   4.5575   28.834   8.3748   10.489   5.4324  108.571   16.505   64.240   17.582 44.33118 24.11531 
1 1 1    8   26   18 f   66.453   13.677   11.258   4.3191   10.484   7.7882   11.601   5.1904   65.303   21.773   67.604   16.559 -2.300850 27.35455 
1 1 1    8   26   19 f  136.836   12.362   44.936   7.9057   0.0000   0.0000   44.936   7.9057  ?   ?   136.836   12.362      ?      ? 
1 1 1    8   26   20 o   96.218   15.066   22.561   6.7748   0.0000   0.0000   22.561   6.7748  ?   ?    96.218   15.066      ?      ? 
1 1 1    8   26   21 o  131.761   15.601   48.125   8.3936   36.563   14.548   53.893   10.276  114.849   27.474  148.673   14.790 -33.82399 31.20184 
1 1 1    8   26   22 o   53.903   17.123   7.1670   4.8485   0.0000   0.0000   7.1670   4.8485  ?   ?    53.903   17.123      ?      ? 
1 1 1    8   26   23 o  108.923   15.274   29.098   7.7751   0.0000   0.0000   29.098   7.7751  ?   ?   108.923   15.274      ?      ? 
1 1 1    8   26   24 o  160.351   13.849   61.883   10.021   78.171   17.101   53.366   12.366  174.727   20.942  145.976   18.126 28.75095 27.69716 
1 1 1    8   26   25 o  108.542   16.391   31.593   8.0577   28.896   11.063   34.640   11.759  103.346   23.445  113.739   22.914 -10.39244 32.78228 
1 1 1    8   26   26 o   70.740   17.302   12.960   5.6727   0.0000   0.0000   12.960   5.6727  ?   ?    70.740   17.302      ?      ? 
1 1 1    8   26   27 o  167.426   14.397   69.736   10.717   79.920   18.653   64.718   13.094  174.228   22.908  160.625   17.443 13.60324 28.79321 
1 1 1    8   26   28 o  137.622   17.848   52.337   11.026   37.565   15.395   67.892   15.798  113.409   28.948  161.834   20.887 -48.42471 35.69697 
1 1 1    8   26   29 o  200.189   21.549  116.175   20.155  116.097   28.808  116.249   28.208  199.600   30.883  200.777   30.061 -1.177277 43.09801 
1 1 1    8   26   30 o   91.585   12.794   22.762   5.5034   36.838   7.8264   8.9942   7.7402  122.540   13.666   60.630   21.633 61.90980 25.58834 
1 1 1    8   26   31 o  168.961   18.021   72.691   14.230   72.691   14.230   0.0000   0.0000  168.961   18.021  ?   ?       ?      ? 
1 1 1    8   26   32 o  167.334   16.245   75.731   11.902   76.098   14.638   75.016   20.444  172.174   18.191  162.493   26.920 9.681152 32.49034 
1 1 1    8   26   33 o  153.360   11.906   59.985   8.5198   55.650   11.778   64.743   12.339  147.351   17.103  159.368   16.567 -12.01723 23.81144 
1 1 1    8   26   34 o   67.258   13.521   12.155   4.5448   9.0548   6.3233   15.468   6.5365   58.833   19.619   75.682   18.610 -16.84840 27.04154 
1 1 1    8   26   35 o   81.561   12.963   17.293   5.0660   10.370   6.8297   25.761   7.5537   62.350   20.370  100.771   16.039 -38.42114 25.92684 
1 1 1    8   26   36 o   58.232   13.852   8.4116   4.5465   5.4361   6.0680   12.220   6.8649   49.799   18.907   66.666   20.250 -16.86749 27.70439 
1 1 1    8   26   37 o   52.169   18.991   6.6976   6.0009   6.6976   6.0009   0.0000   0.0000   52.169   18.991  ?   ?       ?      ? 
1 1 1    8   26   38 o   37.860   11.473  -1.6865   4.0672  -8.1350   5.7268   4.8761   5.7772   28.509   13.824   47.211   18.314 -18.70140 22.94531 
1 1 1    8   26   39 o   36.782   11.458  -0.9895   3.9661  -4.2282   5.6174   2.2295   5.6003   32.022   14.993   41.542   17.332 -9.519726 22.91682 
1 1 1    8   26   40 o  101.394   13.197   28.081   6.0747   33.571   8.7795   23.038   8.4140  112.986   16.626   89.801   20.500 23.18500 26.39459 
1 1 1    8   26   41 o   37.250   11.968  -1.6022   4.5460  -0.4190   6.0333  -3.1562   6.9143   37.765   16.842   36.736   17.008 1.028828 23.93559 
1 1 1    8   26   42 o   84.063   19.926   21.093   7.7090   21.093   7.7090   0.0000   0.0000   84.063   19.926  ?   ?       ?      ? 
1 1 1    8   26   43 f   45.666   12.735  -0.4417   5.2657   11.934   7.1500 -15.1093   7.7841   61.926   20.862   29.405   14.612 32.52185 25.47025 
1 1 1    8   26   44 o  151.880   41.364  124.427   30.154  124.427   30.154   0.0000   0.0000  151.880   41.364  ?   ?       ?      ? 
1 1 1    8   26   45 o   58.049   22.864   10.741   9.1175   10.741   9.1175   0.0000   0.0000   58.049   22.864  ?   ?       ?      ? 
1 1 1    8   26   46 o   58.847   20.297   11.154   6.7740   11.154   6.7740   0.0000   0.0000   58.847   20.297  ?   ?       ?      ? 
1 1 1    8   26   47 o   76.089   27.586   26.217   12.643   0.0000   0.0000   26.217   12.643  ?   ?    76.089   27.586      ?      ? 
1 1 1    8   27    0 o   31.476   14.044   1.3017   6.2091   1.3017   6.2091   1.3017   6.2091   31.476   19.861   31.476   19.861 -0.000000 0.000000 
1 1 1    8   27    1 o   96.143   12.264   22.697   4.6593   24.072   9.3680   22.246   5.3706   95.951   21.432   96.336   11.929 -0.3849411 24.52795 
1 1 1    8   27    2 o  257.605   13.750  160.979   16.308  196.633   25.877  137.492   21.003  280.323   19.752  234.886   19.133 45.43697 27.49943 
1 1 1    8   27    3 o  146.224   9.9902   51.802   6.6866   51.631   10.552   51.917   8.6437  145.494   15.518  146.955   12.586 -1.460709 19.98034 
1 1 1    8   27    4 o   81.158   9.9412   15.777   3.6523   18.639   5.7639   13.857   4.7211   87.749   14.055   74.568   14.063 13.18086 19.88243 
1 1 1    8   27    5 o  235.933   14.021  142.311   14.898  125.328   23.496  153.729   19.266  221.461   22.702  250.405   16.463 -28.94370 28.04287 
1 1 1    8   27    6 o  126.703   9.9450   39.882   5.6735   34.116   8.8994   43.830   7.3640  118.094   16.125  135.311   11.645 -17.21722 19.88996 
1 1 1    8   27    7 f  171.118   13.619   70.678   10.891   0.0000   0.0000   70.678   10.891  ?   ?   171.118   13.619      ?      ? 
1 1 1    8   27    8 o   60.514   12.879   9.7373   4.1466   3.6332   7.5114   12.413   4.9730   50.888   20.515   70.140   15.577 -19.25177 25.75835 
1 1 1    8   27    9 o  188.714   13.837   80.405   11.619  124.058   20.334   59.244   14.158  223.237   19.491  154.192   19.647 69.04503 27.67432 
1 1 1    8   27   10 o   93.323   12.339   20.881   5.3818   0.0000   0.0000   20.881   5.3818  ?   ?    93.323   12.339      ?      ? 
1 1 1    8   27   11 o  262.605   36.487  197.980   44.780   0.0000   0.0000  197.980   44.780  ?   ?   262.605   36.487      ?      ? 
1 1 1    8   27   12 o  169.347   12.951   67.714   9.0246   78.079   18.049   64.259   10.421  175.509   22.005  163.185   13.664 12.32353 25.90201 
1 1 1    8   27   13 o  156.609   14.826   63.079   10.061   58.037   17.384   65.618   12.337  149.448   24.889  163.770   16.119 -14.32178 29.65293 
1 1 1    8   27   14 o   73.641   13.639   14.498   4.7930   10.871   7.6435   16.849   6.1530   65.818   21.552   81.464   16.722 -15.64573 27.27828 
1 1 1    8   27   15 o  229.875   32.653  149.372   35.080   0.0000   0.0000  149.372   35.080  ?   ?   229.875   32.653      ?      ? 
1 1 1    8   27   16 o   92.414   22.982   22.868   9.8841   0.0000   0.0000   22.868   9.8841  ?   ?    92.414   22.982      ?      ? 
1 1 1    8   27   17 o  260.504   19.683  171.357   23.963   0.0000   0.0000  171.357   23.963  ?   ?   260.504   19.683      ?      ? 
1 1 1    8   27   18 o  126.084   15.404   39.024   9.0768   0.0000   0.0000   39.024   9.0768  ?   ?   126.084   15.404      ?      ? 
1 1 1    8   27   19 o   54.466   21.635   5.1052   8.2272   0.0000   0.0000   5.1052   8.2272  ?   ?    54.466   21.635      ?      ? 
1 1 1    8   27   20 o   75.474   21.698   15.143   8.0613   0.0000   0.0000   15.143   8.0613  ?   ?    75.474   21.698      ?      ? 
1 1 1    8   27   21 o  234.803   21.010  141.763   23.055   0.0000   0.0000  141.763   23.055  ?   ?   234.803   21.010      ?      ? 
1 1 1    8   27   22 o  146.995   15.508   53.340   10.654   0.0000   0.0000   53.340   10.654  ?   ?   146.995   15.508      ?      ? 
1 1 1    8   27   23 o  281.971   39.685  327.345   51.132  370.362   72.238  284.152   72.385  316.988   48.762  246.953   62.626 70.03517 79.37098 
1 1 1    8   27   24 o  119.525   14.333   38.160   7.4053   33.615   12.070   40.903   9.3775  110.616   24.035  128.435   15.623 -17.81898 28.66642 
1 1 1    8   27   25 o  116.376   13.983   31.260   7.0376   49.678   12.798   23.277   8.4258  139.013   19.700   93.740   19.851 45.27341 27.96671 
1 1 1    8   27   26 o   50.035   17.210   5.9647   4.8686   0.0000   0.0000   5.9647   4.8686  ?   ?    50.035   17.210      ?      ? 
1 1 1    8   27   27 o   54.457   13.067   7.2625   3.9812   8.2466   5.6790   6.3113   5.5828   57.038   18.572   51.876   18.387 5.161682 26.13470 
1 1 1    8   27   28 o  146.220   12.519   54.915   8.4021   65.446   11.832   44.202   11.933  161.817   15.646  130.622   19.548 31.19473 25.03821 
1 1 1    8   27   29 o  146.798   10.730   54.231   7.1636   52.596   11.390   55.301   9.2142  143.740   16.955  149.856   13.156 -6.115707 21.46096 
1 1 1    8   27   30 o  168.892   11.635   74.444   8.8076   64.646   13.936   80.959   11.365  157.074   18.984  180.709   13.457 -23.63451 23.27008 
1 1 1    8   27   31 o   89.514   11.299   20.158   4.5206   22.666   7.3210   18.613   5.7472   92.676   17.545   86.351   14.241 6.324631 22.59743 
1 1 1    8   27   32 o   47.557   12.381   5.0861   3.6383   3.6508   5.7544   6.0419   4.6960   45.550   18.093   49.565   16.906 -4.014969 24.76241 
1 1 1    8   27   33 o   79.077   15.244   17.976   5.6729   19.037   6.9385   15.838   9.8525   84.162   18.172   73.993   24.480 10.16933 30.48814 
1 1 1    8   27   34 o   97.478   16.565   28.504   6.9880   29.646   8.1183   25.239   13.729  107.140   16.213   87.816   28.890 19.32420 33.12900 
1 1 1    8   27   35 o   72.409   13.104   15.001   4.8466   21.977   6.7196   7.4360   6.9972   90.545   16.487   54.273   20.371 36.27141 26.20707 
1 1 1    8   27   36 o   94.910   13.275   25.198   5.7229   29.111   7.8328   20.718   8.3817  105.598   15.871   84.221   21.285 21.37737 26.55099 
1 1 1    8   27   37 o   42.356   11.631   1.2453   4.0511   7.7866   5.3152  -7.8218   6.2577   54.078   17.985   30.634   14.754 23.44342 23.26232 
1 1 1    8   27   38 o   68.099   15.773   14.716   5.9447   16.861   6.9031   8.5574   11.695   76.643   19.287   59.554   24.962 17.08911 31.54503 
1 1 1    8   27   39 o   81.585   15.553   21.832   6.1676   24.464   7.6296   16.868   10.477   92.618   18.275   70.553   25.170 22.06417 31.10516 
1 1 1    8   27   40 o  126.281   15.963   50.329   8.5930   53.483   10.765   44.789   14.267  139.708   16.487  112.854   27.339 26.85425 31.92508 
1 1 1    8   27   41 o   78.631   17.015   21.187   7.1950   28.898   10.422   14.164   9.9456   92.945   23.868   64.317   24.257 28.62782 34.03098 
1 1 1    8   27   42 o   42.841   13.434  -0.6092   5.5124  -6.2567   7.2572   7.0931   8.4752   33.766   16.164   51.916   21.462 -18.14957 26.86810 
1 1 1    8   27   43 o   48.619   13.218   3.8458   4.5381   12.796   7.3808  -1.5943   5.7544   62.762   21.196   34.477   15.799 28.28502 26.43616 
1 1 1    8   27   44 o   81.217   14.873   26.112   7.0338   33.077   8.3447   9.0204   13.073  107.354   16.632   55.081   24.661 52.27354 29.74573 
1 1 1    8   27   45 o   90.293   16.512   24.575   6.6617   16.373   7.8197   46.278   12.720   67.989   21.762  112.596   24.840 -44.60700 33.02404 
1 1 1    8   28    0 o  196.096   20.723  102.223   25.091  102.223   25.091  102.223   25.091  196.096   29.307  196.096   29.307 -0.000000 0.000000 
1 1 1    8   28    1 o   94.859   22.547   23.895   9.8485   23.895   9.8485   0.0000   0.0000   94.859   22.547  ?   ?       ?      ? 
1 1 1    8   28    2 o   81.973   13.017   15.422   4.6638   24.400   8.3618   11.368   5.6189   97.399   19.052   66.547   17.743 30.85153 26.03441 
1 1 1    8   28    3 o  260.712   24.643  202.040   26.156  173.837   45.257  216.184   32.050  232.852   43.177  288.572   23.765 -55.71986 49.28546 
1 1 1    8   28    4 o  113.091   12.335   30.011   6.2194   37.461   10.934   26.447   7.5621  122.261   19.135  103.920   15.570 18.34119 24.66953 
1 1 1    8   28    5 o  158.016   16.960   65.074   12.511   61.730   17.648   68.453   17.739  153.510   24.600  162.521   23.355 -9.011490 33.92051 
1 1 1    8   28    6 o  144.163   14.703   54.235   8.9086   50.257   15.421   56.228   10.914  136.801   25.044  151.526   15.412 -14.72505 29.40594 
1 1 1    8   28    7 o  218.425   17.448  122.441   16.917  135.090   29.253  116.084   20.737  223.177   28.046  213.673   20.766 9.504318 34.89696 
1 1 1    8   28    8 o  157.094   16.130   60.768   11.843   0.0000   0.0000   60.768   11.843  ?   ?   157.094   16.130      ?      ? 
1 1 1    8   28    9 o  129.050   14.838   40.707   8.9493   0.0000   0.0000   40.707   8.9493  ?   ?   129.050   14.838      ?      ? 
1 1 1    8   28   10 o   93.548   15.509   21.490   6.7804   0.0000   0.0000   21.490   6.7804  ?   ?    93.548   15.509      ?      ? 
1 1 1    8   28   11 f  135.859   22.537   47.828   14.309   0.0000   0.0000   47.828   14.309  ?   ?   135.859   22.537      ?      ? 
1 1 1    8   28   12 o  168.541   25.702   75.905   20.245   0.0000   0.0000   75.905   20.245  ?   ?   168.541   25.702      ?      ? 
1 1 1    8   28   13 f  196.456   28.738  106.582   26.385   0.0000   0.0000  106.582   26.385  ?   ?   196.456   28.738      ?      ? 
1 1 1    8   28   14 o  125.820   15.525   38.984   9.1290   0.0000   0.0000   38.984   9.1290  ?   ?   125.820   15.525      ?      ? 
1 1 1    8   28   15 o  108.579   23.016   31.716   11.317   0.0000   0.0000   31.716   11.317  ?   ?   108.579   23.016      ?      ? 
1 1 1    8   28   16 o   91.125   15.895   22.430   6.8063   17.742   9.5265   27.318   9.7278   80.775   23.694  101.475   21.196 -20.69979 31.79090 
1 1 1    8   28   17 o   87.374   16.905   21.174   7.1115   22.847   9.3733   18.905   10.917   92.074   22.070   82.674   25.613 9.399399 33.80984 
1 1 1    8   28   18 o  179.197   19.475   89.327   15.559   69.384   21.531  111.126   22.510  153.755   31.033  204.640   23.537 -50.88472 38.94918 
1 1 1    8   28   19 o  162.594   19.170   73.552   14.243   68.802   19.896   78.546   20.398  155.366   28.449  169.822   25.701 -14.45581 38.33934 
1 1 1    8   28   20 o   92.185   14.272   21.468   5.7959   27.501   9.7882   18.210   7.1923  101.258   21.356   83.112   18.939 18.14619 28.54383 
1 1 1    8   28   21 o   68.502   12.390   6.6930   3.9084   25.687   8.5836   1.7252   4.3898   98.840   19.274   38.164   15.574 60.67587 24.78006 
1 1 1    8   28   22 o  128.214   13.050   40.166   7.8197   0.0000   0.0000   40.166   7.8197  ?   ?   128.214   13.050      ?      ? 
1 1 1    8   28   23 o   99.151   15.233   26.602   6.4695   25.426   11.817   27.106   7.7312   94.141   26.000  104.161   15.882 -10.02083 30.46653 
1 1 1    8   28   24 o   73.345   15.947   14.934   5.8961   12.773   10.339   15.975   7.1776   69.646   24.987   77.043   19.820 -7.397018 31.89332 
1 1 1    8   28   25 o   67.998   15.678   12.557   5.5506   11.407   9.9354   13.079   6.6923   66.436   24.398   69.560   19.695 -3.124580 31.35534 
1 1 1    8   28   26 o  110.363   16.122   35.527   7.4160   29.630   13.720   37.962   8.8148   98.019   28.343  122.706   15.371 -24.68671 32.24308 
1 1 1    8   28   27 o  109.164   13.569   29.587   6.9227   0.0000   0.0000   29.587   6.9227  ?   ?   109.164   13.569      ?      ? 
1 1 1    8   28   28 o   72.879   14.685   11.963   4.5522   21.254   9.8256   9.4241   5.1368   86.039   23.686   59.718   17.365 26.32154 29.36943 
1 1 1    8   28   29 o   62.287   13.324   10.420   4.2227   11.261   5.8548   9.5077   6.0963   64.688   18.458   59.886   19.219 4.801945 26.64751 
1 1 1    8   28   30 o   43.479   12.235   2.7052   3.9017  -0.4514   5.5289   5.8366   5.5069   37.187   16.377   49.772   18.182 -12.58554 24.46968 
1 1 1    8   28   31 o   48.944   12.435   5.5134   3.6506   7.9664   5.5566   3.6506   4.8422   54.887   18.391   43.000   16.742 11.88711 24.87073 
1 1 1    8   28   32 o   29.683   9.7354  -4.0817   3.2879  -0.3924   4.8787  -7.1514   4.4502   34.749   15.339   24.616   11.992 10.13342 19.47083 
1 1 1    8   28   33 o  132.435   10.569   43.455   6.3989   58.302   10.162   33.701   8.2370  150.898   14.410  113.973   15.464 36.92533 21.13720 
1 1 1    8   28   34 o   48.274   12.417   4.6828   4.1939   9.6761   5.5121  -2.1816   6.4629   59.353   18.169   37.195   16.930 22.15802 24.83396 
1 1 1    8   28   35 o   76.079   16.257   17.972   6.0275   18.470   7.0513   16.622   11.615   80.587   19.027   71.572   26.365 9.014915 32.51412 
1 1 1    8   28   36 o   51.010   13.992   6.4438   4.6142   5.8030   5.7475   7.6055   7.7389   48.259   18.382   53.760   21.100 -5.500904 27.98440 
1 1 1    8   28   37 o   36.705   11.878  -1.7614   4.0841  -2.8866   4.8218   1.0950   7.6827   30.298   14.088   43.112   19.129 -12.81382 23.75656 
1 1 1    8   28   38 o   36.782   16.614  -0.7477   6.0818  -0.7477   6.0818   0.0000   0.0000   36.782   16.614  ?   ?       ?      ? 
1 1 1    8   28   39 o   70.049   16.388   17.778   7.2480   24.271   9.1070   6.5581   11.971   86.126   22.410   53.972   23.916 32.15455 32.77509 
1 1 1    8   28   40 o   62.293   20.427   12.292   6.8652   0.0000   0.0000   12.292   6.8652  ?   ?    62.293   20.427      ?      ? 
1 1 1    8   28   41 o   76.332   15.545   19.518   5.7708   19.818   9.4157   19.337   7.3032   74.235   23.892   78.428   19.894 -4.193741 31.09034 
1 1 1    8   28   42 o  126.384   13.976   50.055   7.7191   36.545   10.834   63.981   11.000  102.611   23.144  150.156   15.676 -47.54468 27.95299 
1 1 1    8   29    0 o   31.914   14.116   1.7505   6.1241   1.7505   6.1241   1.7505   6.1241   31.914   19.962   31.914   19.962 -0.000000 0.000000 
1 1 1    8   29    1 o  133.148   10.847   43.624   6.7479   42.233   9.4504   45.071   9.6383  130.938   15.443  135.358   15.236 -4.419952 21.69405 
1 1 1    8   29    2 o  167.598   11.920   70.026   9.2993   63.274   13.154   76.772   13.148  158.980   17.704  176.217   15.965 -17.23738 23.83979 
1 1 1    8   29    3 o  137.126   11.081   46.407   7.1010   45.762   10.047   47.052   10.038  136.116   15.793  138.136   15.549 -2.020126 22.16289 
1 1 1    8   29    4 o  128.064   12.423   36.287   6.7155   22.680   8.1300   65.509   11.914   93.207   19.299  162.921   15.648 -69.71411 24.84558 
1 1 1    8   29    5 o  139.301   17.992   54.670   11.110   30.477   15.662   79.177   15.763  101.802   30.511  176.800   19.077 -74.99878 35.98422 
1 1 1    8   29    6 o  121.959   16.582   42.384   9.4657   15.695   13.379   69.136   13.394   77.558   28.338  166.360   17.228 -88.80227 33.16364 
1 1 1    8   29    7 o  144.300   17.649   56.712   11.415   44.045   16.045   69.694   16.243  124.327   28.255  164.273   21.157 -39.94566 35.29862 
1 1 1    8   29    8 o  133.104   14.988   47.578   8.4936   41.547   14.106   51.008   10.638  122.689   25.436  143.518   15.861 -20.82825 29.97588 
1 1 1    8   29    9 o  214.450   20.624  118.481   20.670   0.0000   0.0000  118.481   20.670  ?   ?   214.450   20.624      ?      ? 
1 1 1    8   29   10 o  180.672   18.685   94.919   13.658   72.438   23.186  106.866   16.902  155.106   33.000  206.238   17.536 -51.13176 37.36930 
1 1 1    8   29   11 o   45.284   18.435   2.7460   6.1319   0.0000   0.0000   2.7460   6.1319  ?   ?    45.284   18.435      ?      ? 
1 1 1    8   29   12 o   86.542   16.690   20.749   7.0264   24.314   9.7833   16.950   10.098   94.556   22.470   78.528   24.684 16.02813 33.37991 
1 1 1    8   29   13 o  244.850   17.658  151.247   20.206   0.0000   0.0000  151.247   20.206  ?   ?   244.850   17.658      ?      ? 
1 1 1    8   29   14 o  139.064   17.538   74.675   9.8296   15.991   19.467   94.757   11.388   80.614   32.835  197.515   12.337 -116.9017 35.07592 
1 1 1    8   29   15 o  123.170   12.923   37.232   7.1983   43.999   12.124   33.548   8.9459  130.612   19.861  115.729   16.540 14.88299 25.84641 
1 1 1    8   29   16 o   42.957   12.158   1.3855   4.2339  -6.7550   6.9393   6.2131   5.3439   34.584   16.339   51.329   18.009 -16.74457 24.31614 
1 1 1    8   29   17 o  121.963   15.775   43.914   7.1634   32.251   14.584   47.622   8.2238  104.141   28.930  139.784   12.588 -35.64316 31.55047 
1 1 1    8   29   18 o   63.343   14.205   7.2400   5.2178   19.713   8.7336   0.3166   6.5067   84.811   21.887   41.876   18.112 42.93565 28.40906 
1 1 1    8   29   19 o  124.148   14.416   37.982   7.9208   53.741   13.396   29.511   9.8218  143.598   19.961  104.698   20.806 38.89983 28.83249 
1 1 1    8   29   20 o   83.819   14.549   21.079   6.1640   9.1319   10.407   27.535   7.6502   62.972   24.538  104.665   15.640 -41.69303 29.09829 
1 1 1    8   29   21 o  116.357   15.595   38.337   7.7310   33.187   13.209   41.020   9.5348  105.513   26.750  127.201   16.039 -21.68811 31.18962 
1 1 1    8   29   22 o   80.200   15.301   16.896   5.7005   23.150   9.6464   13.540   7.0663   90.234   22.851   70.166   20.356 20.06729 30.60271 
1 1 1    8   29   23 o   83.368   16.664   20.348   6.9157   15.992   10.570   23.608   9.1449   74.668   25.364   92.069   21.622 -17.40054 33.32899 
1 1 1    8   29   24 o   39.811   11.942   1.2601   3.7735  -2.9167   7.1341   2.8826   4.4464   38.932   17.746   40.690   15.986 -1.758804 23.88453 
1 1 1    8   29   25 o   81.006   14.404   19.599   5.2555   12.701   10.696   21.795   6.0340   68.460   25.287   93.553   13.801 -25.09382 28.80753 
1 1 1    8   29   26 o   49.538   12.780   5.9068   4.0654  -3.4362   8.9017   8.3691   4.5698   42.779   19.621   56.297   16.381 -13.51773 25.55990 
1 1 1    8   29   27 o   98.774   10.352   24.369   4.7303   28.021   7.3576   21.797   6.1757  104.754   15.029   92.793   14.241 11.96098 20.70415 
1 1 1    8   29   28 o  137.277   10.614   48.570   6.6750   48.539   10.475   48.591   8.6610  135.911   16.492  138.643   13.367 -2.732437 21.22866 
1 1 1    8   29   29 o   55.127   12.714   7.9282   3.8295   5.5185   5.1451   10.921   5.7342   47.748   17.554   62.506   18.396 -14.75831 25.42748 
1 1 1    8   29   30 o   98.730   11.488   25.964   4.9930   24.373   7.9490   27.001   6.4170   93.948   18.761  103.513   13.265 -9.564201 22.97655 
1 1 1    8   29   31 o   43.651   11.370   3.6494   3.5171  -2.3707   5.6303   7.5018   4.5040   34.325   15.692   52.977   16.458 -18.65120 22.74021 
1 1 1    8   29   32 o   44.778   12.075   4.6218   3.4860   3.5988   5.6896   5.2367   4.4110   43.864   17.794   45.693   16.328 -1.829018 24.15059 
1 1 1    8   29   33 o   94.256   10.919   23.202   4.7228   26.643   7.5872   21.025   6.0344   99.090   16.384   89.422   14.439 9.667824 21.83837 
1 1 1    8   29   34 o   79.032   13.254   18.293   4.8386   20.954   6.9902   15.845   6.7044   85.294   18.096   72.769   19.371 12.52524 26.50876 
1 1 1    8   29   35 o   85.047   15.609   23.873   6.1843   25.271   7.5802   21.091   10.694   93.551   17.991   76.544   25.514 17.00706 31.21897 
1 1 1    8   29   36 o   46.421   13.856   4.3062   5.0817   3.8772   6.5996   4.9310   7.9647   44.657   18.736   48.184   20.419 -3.527283 27.71237 
1 1 1    8   29   37 o   41.572   12.791   1.7116   4.7688   4.2591   6.3727  -1.5303   7.1889   44.916   18.593   38.229   17.570 6.687878 25.58124 
1 1 1    8   29   38 o   65.869   16.265   15.039   6.1517   13.996   8.4146   16.237   9.0161   63.935   22.584   67.803   23.414 -3.868195 32.53066 
1 1 1    8   29   39 o   36.898   11.932  -0.5992   4.3301  -1.2845   5.2906   0.7915   7.5363   33.074   15.154   40.721   18.435 -7.647373 23.86358 
1 1 1    8   30    1 o  156.081   13.842   57.999   9.6225   79.577   17.082   47.969   11.646  174.724   20.919  137.438   18.131 37.28606 27.68335 
1 1 1    8   30    2 o   90.187   17.901   23.016   7.8548   22.512   11.242   23.496   10.979   89.078   25.627   91.296   24.999 -2.217979 35.80119 
1 1 1    8   30    3 o   44.349   11.641  -0.7656   3.1718   10.739   6.7255  -4.0563   3.5969   64.074   20.146   24.624   11.672 39.45024 23.28242 
1 1 1    8   30    4 o   56.259   14.215   6.5899   3.9130   9.7045   9.0982   5.8830   4.3343   63.395   23.338   49.124   16.236 14.27057 28.42994 
1 1 1    8   30    5 o   51.671   16.366   6.6827   4.4317   0.0000   0.0000   6.6827   4.4317  ?   ?    51.671   16.366      ?      ? 
1 1 1    8   30    6 o  105.092   10.137   26.388   4.9008   32.908   7.7784   22.096   6.3110  115.494   14.411   94.690   14.261 20.80417 20.27438 
1 1 1    8   30    7 o  164.119   13.076   69.550   9.5373   45.833   13.211   95.365   13.783  132.121   21.395  196.117   15.038 -63.99600 26.15113 
1 1 1    8   30    8 o  120.540   10.323   36.095   5.6998   34.935   8.8901   36.905   7.4271  118.175   16.097  122.906   12.930 -4.730972 20.64700 
1 1 1    8   30    9 o  230.024   14.970  127.577   14.234  165.389   28.797  115.351   16.374  245.609   25.088  214.439   16.339 31.17003 29.93906 
1 1 1    8   30   10 o  119.416   18.298   40.454   9.9158   37.927   13.760   43.183   14.302  115.194   26.156  123.638   25.595 -8.444283 36.59539 
1 1 1    8   30   11 o  150.314   13.130   51.997   8.7147   84.778   15.275   36.179   10.611  182.275   17.932  118.354   19.184 63.92063 26.25935 
1 1 1    8   30   12 o  178.418   14.181   79.433   10.458   91.923   20.635   75.115   12.131  183.201   24.101  173.635   14.950 9.566147 28.36124 
1 1 1    8   30   13 o   59.068   14.499   8.9053   4.8323   7.5322   8.1176   9.6589   6.0139   57.530   21.862   60.607   19.049 -3.077278 28.99713 
1 1 1    8   30   14 o   86.420   13.496   18.482   5.4509   0.0000   0.0000   18.482   5.4509  ?   ?    86.420   13.496      ?      ? 
1 1 1    8   30   15 f   66.062   11.901   6.9193   4.5013   24.987   7.8031  -2.0914   5.5106   97.260   17.824   34.864   15.775 62.39608 23.80205 
1 1 1    8   30   16 o  140.816   16.004   50.372   10.532   0.0000   0.0000   50.372   10.532  ?   ?   140.816   16.004      ?      ? 
1 1 1    8   30   17 o  140.277   14.324   49.509   9.0037   63.011   15.648   42.827   11.008  152.269   21.989  128.286   18.361 23.98373 28.64723 
1 1 1    8   30   18 o   55.599   14.268   7.4922   4.8484   5.4579   7.3247   9.0786   6.4683   52.155   20.509   59.043   19.843 -6.887550 28.53696 
1 1 1    8   30   19 o  169.580   19.344   88.507   13.195   69.259   22.846   98.142   16.164  144.230   34.380  194.929   17.743 -50.69893 38.68820 
1 1 1    8   30   20 o  157.476   17.988   73.990   11.541   61.469   20.024   80.218   14.122  138.430   31.641  176.521   17.119 -38.09096 35.97514 
1 1 1    8   30   21 o   55.895   13.823   6.4394   3.9364   12.386   8.1157   4.6102   4.5014   66.720   22.225   45.070   16.442 21.65031 27.64599 
1 1 1    8   30   22 o  114.164   13.673   33.515   6.1970   39.200   12.425   31.632   7.1498  116.054   23.709  112.275   13.626 3.779137 27.34543 
1 1 1    8   30   23 o  130.043   14.944   47.015   7.4364   47.844   15.001   46.745   8.5626  123.950   26.685  136.135   13.458 -12.18520 29.88713 
1 1 1    8   30   24 o   97.156   16.054   29.934   7.2112   21.491   12.375   34.275   8.8734   80.393   27.444  113.919   16.667 -33.52579 32.10832 
1 1 1    8   30   25 o   68.941   13.815   10.704   4.2646   21.597   8.6378   7.1924   4.9040   85.798   21.566   52.084   17.273 33.71444 27.63068 
1 1 1    8   30   26 o  131.065   15.678   49.210   7.7660   48.158   15.801   49.546   8.9174  122.183   28.237  139.948   13.634 -17.76553 31.35676 
1 1 1    8   30   27 f   72.345   14.403   12.309   4.3868   21.821   9.5335   9.7544   4.9409   84.916   23.313   59.773   16.922 25.14302 28.80696 
1 1 1    8   30   28 f  107.653   14.352   31.278   6.0670   37.217   12.470   29.436   6.9443  108.329   25.119  106.977   13.890 1.351608 28.70389 
1 1 1    8   30   29 o   64.565   12.110   11.509   3.6664   13.853   5.7984   9.9482   4.7325   69.560   17.771   59.571   16.454 9.988594 24.21925 
1 1 1    8   30   30 o  118.871   10.630   36.795   5.8287   43.353   9.1914   32.384   7.5383  127.091   15.475  110.651   14.577 16.44003 21.25944 
1 1 1    8   30   31 o   90.020   15.323   27.752   6.6403   32.573   8.1343   18.121   11.497  109.395   15.910   70.644   26.191 38.75149 30.64514 
1 1 1    8   30   32 o   74.268   14.943   18.977   5.8271   22.706   7.1820   11.793   9.9684   88.312   18.012   60.225   23.848 28.08756 29.88571 
1 1 1    8   30   33 o   54.178   11.269   7.2172   4.3183  -6.2567   6.7959   16.342   5.5925   32.544   15.596   75.812   16.271 -43.26873 22.53811 
1 1 1    8   30   34 o   70.131   16.043   16.421   6.1210   12.383   8.3485   21.114   9.0009   61.242   22.384   79.021   22.989 -17.77913 32.08611 
1 1 1    8   30   35 o  101.200   15.321   33.280   6.8885   31.424   11.472   34.326   8.6143   92.514   25.644  109.886   16.774 -17.37219 30.64251 
1 1 1    8   30   36 f   56.886   12.895   9.3434   5.0564  -2.4614   7.7067   18.266   6.7002   37.492   17.556   76.280   18.893 -38.78858 25.79098 
1 1 1    8   31    0 o   44.246   18.143   6.8986   8.6701   6.8986   8.6701   6.8986   8.6701   44.246   25.658   44.246   25.658 -0.000000 0.000000 
1 1 1    8   31    1 o   65.448   16.206   10.851   6.2310   6.9003   8.3148   15.912   9.4104   56.222   21.926   74.675   23.870 -18.45267 32.41144 
1 1 1    8   31    2 o   66.168   13.336   13.014   5.2567   18.994   6.2412  -1.5836   9.7513   85.322   16.245   47.013   21.154 38.30953 26.67238 
1 1 1    8   31    3 o  107.834   15.124   29.978   6.9789   25.767   8.4263   39.178   12.453   97.931   19.097  117.736   23.457 -19.80429 30.24733 
1 1 1    8   31    4 o   85.827   14.399   21.516   5.8027   14.202   9.7473   25.530   7.2219   71.088   24.356  100.567   15.366 -29.47919 28.79788 
1 1 1    8   31    5 o   46.661   12.855   4.0980   4.2535  -4.2266   8.5345   6.8490   4.9062   41.293   19.039   52.030   17.278 -10.73711 25.71035 
1 1 1    8   31    6 o   71.875   13.765   10.346   4.0977   23.187   9.2218   7.1861   4.5741   90.926   21.951   52.824   16.615 38.10178 27.52961 
1 1 1    8   31    7 o  230.460   16.598  129.941   16.178  193.411   32.202  108.513   18.711  258.362   26.670  202.559   19.765 55.80347 33.19505 
1 1 1    8   31    8 o  116.892   14.621   40.296   6.6381   29.258   12.478   44.653   7.8393   98.993   26.463  134.790   12.444 -35.79743 29.24261 
1 1 1    8   31    9 o  104.639   10.443   26.992   5.0644   32.014   7.7277   23.211   6.7050  113.103   14.620   96.175   14.917 16.92757 20.88686 
1 1 1    8   31   10 o   73.567   12.960   14.761   4.4255   16.001   5.7725   12.994   6.8925   78.170   16.327   68.964   20.132 9.206497 25.92080 
1 1 1    8   31   11 o  159.096   13.516   62.759   10.049   0.0000   0.0000   62.759   10.049  ?   ?   159.096   13.516      ?      ? 
1 1 1    8   31   12 o  141.757   13.171   49.727   8.7261   0.0000   0.0000   49.727   8.7261  ?   ?   141.757   13.171      ?      ? 
1 1 1    8   31   13 o  113.930   13.141   32.166   6.9969   0.0000   0.0000   32.166   6.9969  ?   ?   113.930   13.141      ?      ? 
1 1 1    8   31   14 o   44.775   12.623   3.1552   4.2370  -3.1052   7.4512   6.1466   5.1507   39.398   18.027   50.151   17.674 -10.75231 25.24518 
1 1 1    8   31   15 o   75.556   13.030   16.750   5.0394   7.2290   8.0479   22.891   6.4633   55.906   21.635   95.206   14.526 -39.30054 26.05921 
1 1 1    8   31   16 o   71.376   14.339   12.773   4.9286   21.101   8.5222   8.5876   6.0414   85.928   21.323   56.825   19.176 29.10305 28.67724 
1 1 1    8   31   17 o  108.243   12.539   27.833   5.3728   39.486   11.301   24.430   6.1071  117.954   21.284   98.532   13.262 19.42191 25.07748 
1 1 1    8   31   18 o   29.764   9.9544  -4.2076   3.4544  -5.6291   6.0390  -3.5163   4.2114   31.897   15.120   27.630   12.951 4.266499 19.90877 
1 1 1    8   31   19 o   74.065   15.002   16.685   5.4585   13.280   9.5894   18.317   6.6390   66.740   24.051   81.390   17.937 -14.64975 30.00332 
1 1 1    8   31   20 o   68.658   13.367   11.105   4.2084   20.408   7.9187   7.4436   4.9681   84.432   20.315   52.884   17.378 31.54794 26.73370 
1 1 1    8   31   21 o   32.403   10.790  -3.1182   3.4158  -4.0811   7.4324  -2.8603   3.8460   37.770   17.538   27.037   12.575 10.73312 21.58034 
1 1 1    8   31   22 o   65.985   14.197   12.400   4.4448   11.235   9.1627   12.758   5.0829   63.178   23.390   68.792   16.096 -5.613651 28.39324 
1 1 1    8   31   23 o   80.779   14.512   17.205   5.2770   0.0000   0.0000   17.205   5.2770  ?   ?    80.779   14.512      ?      ? 
1 1 1    8   31   24 o   66.839   14.160   13.497   4.4205   11.300   9.8490   14.051   4.9467   61.649   23.913   72.029   15.174 -10.37949 28.32078 
1 1 1    8   31   25 o   58.838   14.471   9.5875   4.4124   11.855   8.9369   8.8565   5.0739   61.848   23.060   55.828   17.489 6.020691 28.94185 
1 1 1    8   31   26 o   69.274   14.282   13.304   4.4231   18.126   8.8647   11.706   5.1038   74.425   23.084   64.124   16.821 10.30137 28.56306 
1 1 1    8   31   27 f   90.966   14.629   22.696   5.4080   31.738   11.028   19.833   6.2055   97.746   24.255   84.187   16.361 13.55933 29.25789 
1 1 1    8   31   28 o   66.576   14.452   13.418   4.4567   14.624   9.6392   13.090   5.0262   65.208   24.019   67.944   16.079 -2.736382 28.90401 
1 1 1    8   31   29 o   53.747   14.098   6.2905   5.3084   15.749   8.0126  -1.1088   7.0869   68.984   22.023   38.511   17.605 30.47275 28.19511 
1 1 1    8   31   30 o   97.054   12.785   27.944   5.5556   16.584   7.7261   40.106   7.9942   71.381   21.438  122.726   13.938 -51.34529 25.57022 
1 1 1    8   31   31 o   49.960   14.032   6.7513   5.0271   8.7438   6.4002   3.5423   8.1222   53.876   19.613   46.044   20.073 7.831436 28.06431 
1 1 1    8   31   32 o   62.563   14.127   11.473   4.9635   20.298   7.8587   5.6163   6.4020   78.481   21.009   46.646   18.892 31.83500 28.25439 
1 1 1    8   31   33 o   63.474   16.293   14.877   6.2163   13.187   8.3549   16.973   9.3039   60.422   22.342   66.526   23.720 -6.104267 32.58564 
1 1 1    8   32    0 o   49.735   16.337   9.1957   5.9539   9.1957   5.9539   9.1957   5.9539   49.735   23.104   49.735   23.104 -0.000000 0.000000 
1 1 1    8   32    1 o   93.730   14.455   24.403   5.9126   24.064   7.2991   25.050   10.084   95.115   17.046   92.344   23.351 2.770714 28.91068 
1 1 1    8   32    2 o  116.117   16.453   41.055   7.8934   44.469   9.4157   32.982   14.479  131.902   15.274  100.331   29.147 31.57020 32.90679 
1 1 1    8   32    3 o   63.189   15.008   10.035   4.9158   7.9496   5.8879   14.834   8.9311   55.125   18.928   71.252   23.295 -16.12609 30.01529 
1 1 1    8   32    4 o  100.260   11.852   26.335   5.4131   23.335   7.4087   29.772   7.9284   93.046   17.684  107.474   15.785 -14.42807 23.70382 
1 1 1    8   32    5 o  161.095   12.443   68.887   9.1743   54.078   12.864   84.216   13.088  141.254   19.486  180.936   15.478 -39.68240 24.88521 
1 1 1    8   32    6 o  161.105   12.861   69.568   9.3426   49.927   12.957   90.838   13.484  134.364   20.634  187.847   15.359 -53.48273 25.72245 
1 1 1    8   32    7 o   78.747   14.645   17.064   5.2911   21.285   8.8986   14.756   6.5808   85.049   22.164   72.444   19.148 12.60460 29.28911 
1 1 1    8   32    8 o  224.749   19.780  150.869   19.819  129.785   24.126  194.621   34.754  208.378   24.774  241.120   30.841 -32.74168 39.55923 
1 1 1    8   32    9 o  128.001   16.120   49.585   8.6696   41.111   14.612   54.189   10.770  112.051   27.985  143.951   16.009 -31.89979 32.24083 
1 1 1    8   32   10 o   85.334   12.220   19.585   4.7868   15.530   6.5551   24.217   7.0065   74.205   18.861   96.462   15.542 -22.25684 24.43960 
1 1 1    8   32   11 o  139.385   11.860   51.478   7.7081   52.714   10.657   50.122   11.162  141.801   16.081  136.969   17.437 4.832718 23.72067 
1 1 1    8   32   12 o   62.566   13.640   11.672   4.8157   4.2986   8.4356   15.237   5.8654   50.533   21.191   74.599   17.179 -24.06577 27.27968 
1 1 1    8   32   13 o  144.141   18.200   66.000   10.827   53.169   18.603   72.572   13.314  122.744   32.074  165.539   17.209 -42.79553 36.39906 
1 1 1    8   32   14 o   69.991   16.588   13.732   6.4950   9.0888   8.5107   20.208   10.051   58.978   22.392   81.004   24.479 -22.02628 33.17561 
1 1 1    8   32   15 o   66.959   14.812   12.725   5.0068   13.322   8.4808   12.405   6.2031   67.443   22.720   66.476   19.010 0.9671173 29.62441 
1 1 1    8   32   16 o   51.157   18.160   6.7241   5.4473   0.0000   0.0000   6.7241   5.4473  ?   ?    51.157   18.160      ?      ? 
1 1 1    8   32   17 o  113.529   17.710   40.377   9.1933   48.641   13.335   32.892   12.692  127.148   23.299   99.911   26.679 27.23713 35.42043 
1 1 1    8   32   18 o   46.227   12.576   3.8582   4.5774  -7.3869   8.1944   8.9587   5.5187   36.087   17.248   56.368   18.306 -20.28100 25.15195 
1 1 1    8   32   19 f   84.881   15.499   21.618   6.6190   34.301   10.092   12.045   8.7681  107.341   20.869   62.421   22.921 44.91940 30.99821 
1 1 1    8   32   20 o  115.690   15.255   38.663   7.6820   48.876   13.033   33.226   9.5094  125.045   23.155  106.334   19.866 18.71115 30.50922 
1 1 1    8   32   21 o   85.187   15.788   23.198   6.2487   22.587   10.441   23.539   7.7996   80.917   25.046   89.456   19.228 -8.539268 31.57556 
1 1 1    8   32   22 o   38.462   16.509   1.5508   5.3261   0.0000   0.0000   1.5508   5.3261  ?   ?    38.462   16.509      ?      ? 
1 1 1    8   32   23 o   88.172   18.514   22.854   7.3863   0.0000   0.0000   22.854   7.3863  ?   ?    88.172   18.514      ?      ? 
1 1 1    8   32   24 o  133.322   18.135   51.202   11.299   0.0000   0.0000   51.202   11.299  ?   ?   133.322   18.135      ?      ? 
1 1 1    8   32   25 o   53.077   19.076   8.2841   6.0284   0.0000   0.0000   8.2841   6.0284  ?   ?    53.077   19.076      ?      ? 
1 1 1    8   32   26 o   60.882   22.397   12.222   8.3780   12.222   8.3780   0.0000   0.0000   60.882   22.397  ?   ?       ?      ? 
1 1 1    8   32   27 o   93.153   26.907   33.083   12.371   33.083   12.371   0.0000   0.0000   93.153   26.907  ?   ?       ?      ? 
1 1 1    8   33    0 o   23.132   11.042  -1.7407   4.9145  -1.7407   4.9145  -1.7407   4.9145   23.132   15.616   23.132   15.616 -0.000000 0.000000 
1 1 1    8   33    1 o   75.198   14.542   16.929   5.2213   18.443   6.3912   13.891   9.0536   82.252   17.180   68.144   23.467 14.10749 29.08373 
1 1 1    8   33    2 o   81.575   12.696   18.433   4.7250   21.464   6.7306   15.489   6.6348   89.159   16.768   73.991   19.068 15.16750 25.39186 
1 1 1    8   33    3 o   79.432   12.744   17.405   4.6506   13.828   6.3655   21.499   6.8108   69.845   18.998   89.019   16.991 -19.17390 25.48733 
1 1 1    8   33    4 o   67.281   12.426   12.279   4.2756   6.1067   5.8527   19.344   6.2612   49.929   18.652   84.633   16.422 -34.70388 24.85153 
1 1 1    8   33    5 o   53.817   13.311   7.7619   4.1895   9.2333   5.6796   6.0060   6.2048   57.615   18.557   50.019   19.088 7.595413 26.62230 
1 1 1    8   33    6 o   49.128   12.299   5.8509   3.7706   2.2508   5.4544   9.1462   5.2183   40.885   17.085   57.371   17.698 -16.48629 24.59888 
1 1 1    8   33    7 f   53.670   12.695   7.6058   3.8281   10.493   5.6513   5.1577   5.2040   60.808   18.351   46.532   17.547 14.27634 25.39021 
1 1 1    8   33    8 o   76.361   13.293   16.778   4.7201   18.075   6.6951   15.495   6.6556   79.721   18.350   73.000   19.238 6.720901 26.58596 
1 1 1    8   33    9 o   57.822   16.113   9.0385   6.1660   8.4138   7.5706   10.269   10.627   55.455   21.104   60.190   24.353 -4.735203 32.22507 
1 1 1    8   33   10 o  119.622   11.091   38.023   6.1806   34.542   8.3899   42.153   9.1394  113.551   15.810  125.692   15.558 -12.14130 22.18126 
1 1 1    8   33   11 o   60.137   12.942   10.586   4.0051   11.822   5.3601   9.0227   6.0266   64.277   17.412   55.997   19.151 8.279774 25.88345 
1 1 1    8   33   12 o   33.832   10.302  -0.0475   3.1318  -3.4048   4.6134   2.8222   4.2653   28.934   13.560   38.730   15.513 -9.795401 20.60434 
1 1 1    8   33   13 o   34.934   10.297   0.5546   2.9814   4.0177   4.3185  -2.5991   4.1212   41.765   15.928   28.103   13.053 13.66170 20.59326 
1 1 1    8   33   14 o  159.270   14.221   66.918   10.585   0.0000   0.0000   66.918   10.585  ?   ?   159.270   14.221      ?      ? 
1 1 1    8   33   15 o  108.461   13.997   32.876   6.5388   42.451   11.422   28.208   7.9750  117.587   21.579   99.334   17.834 18.25323 27.99476 
1 1 1    8   33   16 o  192.014   22.005  114.184   19.747   0.0000   0.0000  114.184   19.747  ?   ?   192.014   22.005      ?      ? 
1 1 1    8   33   17 o   51.247   18.300   7.4724   5.5394   0.0000   0.0000   7.4724   5.5394  ?   ?    51.247   18.300      ?      ? 
1 1 1    8   33   18 o   44.536   17.277   4.8629   5.1420   0.0000   0.0000   4.8629   5.1420  ?   ?    44.536   17.277      ?      ? 
1 1 1    8   33   19 o   75.242   14.875   19.074   5.4769   15.191   9.9073   20.783   6.5725   65.545   24.311   84.940   17.148 -19.39550 29.75002 
1 1 1    8   33   20 o  111.035   19.755   46.619   10.361   40.606   14.913   52.229   14.406   99.789   29.742  122.282   26.007 -22.49255 39.50934 
1 1 1    8   33   21 o   39.365   17.910  -0.5403   7.2248  -0.5403   7.2248   0.0000   0.0000   39.365   17.910  ?   ?       ?      ? 
1 1 1    8   33   22 o   68.671   15.984   16.403   6.2381   21.079   8.6540   11.346   9.0002   78.963   22.410   58.379   22.799 20.58319 31.96880 
1 1 1    8   33   23 o   78.078   17.835   23.501   7.4358   21.636   10.394   25.455   10.642   74.604   25.153   81.552   25.292 -6.947594 35.67051 
1 1 1    8   33   24 o   62.641   12.964   9.3576   5.1428   25.473   8.0693  -1.6661   6.6739   89.289   19.851   35.992   16.680 53.29708 25.92834 
1 1 1    8   34    0 o   31.299   13.559   2.8917   5.3747   2.8917   5.3747   2.8917   5.3747   31.299   19.176   31.299   19.176 -0.000000 0.000000 
1 1 1    8   34    1 o   44.996   12.972   4.3122   4.3727   5.9904   5.4704   1.3423   7.2771   47.731   17.993   42.261   18.691 5.469872 25.94395 
1 1 1    8   34    2 o   77.551   15.010   18.411   5.3519   17.034   6.5070   21.289   9.4093   75.786   18.527   79.316   23.621 -3.530067 30.02007 
1 1 1    8   34    3 o   63.630   12.863   11.981   4.1669   8.3231   5.8181   15.832   5.9708   53.496   18.790   73.764   17.571 -20.26842 25.72515 
1 1 1    8   34    4 o   28.959   9.8623  -5.7288   3.7928  -4.4384   4.6580  -8.2674   6.5336   27.673   13.165   30.245   14.688 -2.572626 19.72456 
1 1 1    8   34    5 o   76.139   15.671   18.102   5.5866   16.473   6.6926   21.845   10.146   73.681   19.231   78.596   24.748 -4.915146 31.34155 
1 1 1    8   34    6 o   58.158   14.822   10.322   4.8639   10.418   5.6198   10.033   9.7103   59.004   18.393   57.312   23.248 1.692341 29.64390 
1 1 1    8   34    7 o   49.556   13.219   6.7945   4.1877   4.6742   7.2525   7.8549   5.1291   46.943   19.666   52.170   17.669 -5.226315 26.43733 
1 1 1    8   34    8 o   60.867   13.990   10.458   4.2464   14.959   7.8567   8.6011   5.0471   67.466   21.836   54.268   17.495 13.19822 27.98023 
1 1 1    8   34    9 o   51.714   12.519   7.0117   4.3691  -0.9317   6.7004   12.887   5.7627   37.829   17.226   65.599   18.172 -27.76967 25.03883 
1 1 1    8   34   10 o   40.360   12.121   2.4132   3.9631   2.7778   5.9410   2.1209   5.3196   41.581   17.628   39.139   16.641 2.441505 24.24211 
1 1 1    8   34   11 o   56.631   12.358   9.2714   3.6433   11.809   5.3994   7.1506   4.9365   63.120   17.627   50.142   17.325 12.97779 24.71579 
1 1 1    8   34   12 o   35.937   10.324   0.2416   3.3822  -9.5861   5.7313   5.4930   4.1895   26.687   13.126   45.187   15.938 -18.50064 20.64758 
1 1 1    8   34   13 o   66.364   15.488   14.626   5.5857   14.031   8.0301   15.183   7.7749   64.885   22.107   67.842   21.698 -2.956711 30.97602 
1 1 1    8   34   14 o   87.906   17.043   27.428   7.4726   33.634   10.426   20.872   10.716  101.417   22.578   74.395   25.535 27.02132 34.08533 
1 1 1    8   34   15 o  118.152   16.214   47.849   8.1168   39.151   13.837   52.413   10.022   98.894   28.426  137.410   15.607 -38.51666 32.42843 
1 1 1    8   34   16 o   51.283   13.896   7.2232   4.6551   11.297   7.3414   4.4837   6.0200   58.419   21.045   44.148   18.152 14.27081 27.79181 
1 1 1    8   34   17 o   47.878   11.055   5.8358   3.9942  -8.4343   7.1913   12.202   4.8032   31.291   15.244   64.464   16.014 -33.17371 22.11000 
1 1 1    8   34   18 o   44.118   16.903   5.2705   4.8772   0.0000   0.0000   5.2705   4.8772  ?   ?    44.118   16.903      ?      ? 
1 1 1    8   34   19 o   82.379   16.647   20.101   6.1888   0.0000   0.0000   20.101   6.1888  ?   ?    82.379   16.647      ?      ? 
1 1 1    8   35    1 o   40.606   18.111   1.3750   6.9781   1.3750   6.9781   0.0000   0.0000   40.606   18.111  ?   ?       ?      ? 
1 1 1    8   35    2 o   85.040   25.527   27.769   10.957   27.769   10.957   0.0000   0.0000   85.040   25.527  ?   ?       ?      ? 
1 1 1    8   35    3 o   61.860   22.634   13.694   8.5393   13.694   8.5393   0.0000   0.0000   61.860   22.634  ?   ?       ?      ? 
1 1 1    8   35    4 o  123.742   22.356   67.774   12.984   64.754   18.147   70.942   18.584  119.942   31.842  127.543   31.390 -7.601288 44.71245 
1 1 1    8   35    5 o   54.043   20.399   9.4323   7.0365   9.4323   7.0365   0.0000   0.0000   54.043   20.399  ?   ?       ?      ? 
1 1 1    8   35    6 o   54.572   14.592   9.1293   5.2959   4.8045   7.1819   14.284   7.8404   45.579   19.356   63.565   21.841 -17.98557 29.18374 
1 1 1    8   35    7 o  113.922   19.580   52.582   10.663   39.495   14.733   66.977   15.452   92.031   29.911  135.812   25.275 -43.78113 39.15977 
1 1 1    8   35    8 o  122.544   17.674   58.929   9.4303   43.483   16.140   66.935   11.620   92.927   31.344  152.162   16.340 -59.23438 35.34724 
1 1 1    8   35    9 o   46.074   13.284   5.2910   4.6252   2.4440   6.4727   8.2616   6.6116   40.813   17.853   51.334   19.677 -10.52069 26.56881 
1 1 1    9    0    1 o   78.432   6.9513   15.049   3.4500   15.049   3.4500   15.049   3.4500   78.432   9.8306   78.432   9.8306 -0.000000 0.000000 
1 1 1    9    0    2 o  383.544   17.302  349.421   43.452  349.421   43.452  349.421   43.452  383.544   24.469  383.544   24.469 -0.000000 0.000000 
1 1 1    9    0    3 o  484.916   40.013  583.494  123.679  583.494  123.679  583.494  123.679  484.916   56.587  484.916   56.587 -0.000000 0.000000 
1 1 1    9    0    4 o  579.349   25.521  800.669   96.854  800.669   96.854  800.669   96.854  579.349   36.092  579.349   36.092 -0.000000 0.000000 
1 1 1    9    0    5 o  694.300   30.533  1154.13  138.872  1154.13  138.872  1154.13  138.872  694.300   43.181  694.300   43.181 -0.000000 0.000000 
1 1 1    9    0    6 o  582.610   22.081  805.325   84.467  805.325   84.467  805.325   84.467  582.610   31.227  582.610   31.227 -0.000000 0.000000 
1 1 1    9    0    7 o  429.344   19.356  438.164   54.413  438.164   54.413  438.164   54.413  429.344   27.373  429.344   27.373 -0.000000 0.000000 
1 1 1    9    0    8 o  584.099   25.945  813.843   99.253  813.843   99.253  813.843   99.253  584.099   36.691  584.099   36.691 -0.000000 0.000000 
1 1 1    9    0    9 o  614.814   33.940  912.826  135.984  912.826  135.984  912.826  135.984  614.814   47.999  614.814   47.999 -0.000000 0.000000 
1 1 1    9    0   10 o  795.049   66.779  1622.01  337.855  1622.01  337.855  1622.01  337.855  795.049   94.440  795.049   94.440 -0.000000 0.000000 
1 1 1    9    0   11 o  223.408   20.289  122.881   28.602  122.881   28.602  122.881   28.602  223.408   28.693  223.408   28.693 -0.000000 0.000000 
1 1 1    9    0   12 o  545.620   28.045  713.982   99.908  713.982   99.908  713.982   99.908  545.620   39.662  545.620   39.662 -0.000000 0.000000 
1 1 1    9    0   13 o  598.743   34.232  867.249  133.427  867.249  133.427  867.249  133.427  598.743   48.411  598.743   48.411 -0.000000 0.000000 
1 1 1    9    0   14 o  379.734   16.876  342.255   41.972  342.255   41.972  342.255   41.972  379.734   23.866  379.734   23.866 -0.000000 0.000000 
1 1 1    9    0   15 o  179.975   9.5526   77.057   11.216   77.057   11.216   77.057   11.216  179.975   13.509  179.975   13.509 -0.000000 0.000000 
1 1 1    9    0   16 o  624.959   27.565  933.104  112.845  933.104  112.845  933.104  112.845  624.959   38.983  624.959   38.983 -0.000000 0.000000 
1 1 1    9    0   17 o  467.015   25.583  523.466   77.875  523.466   77.875  523.466   77.875  467.015   36.179  467.015   36.179 -0.000000 0.000000 
1 1 1    9    0   18 o  291.758   17.013  203.742   32.293  203.742   32.293  203.742   32.293  291.758   24.060  291.758   24.060 -0.000000 0.000000 
1 1 1    9    0   19 o  430.640   22.380  443.485   62.908  443.485   62.908  443.485   62.908  430.640   31.650  430.640   31.650 -0.000000 0.000000 
1 1 1    9    0   20 o  206.334   12.930  102.079   17.315  102.079   17.315  102.079   17.315  206.334   18.286  206.334   18.286 -0.000000 0.000000 
1 1 1    9    0   21 o  746.782   41.647  1370.29  202.617  1370.29  202.617  1370.29  202.617  746.782   58.898  746.782   58.898 -0.000000 0.000000 
1 1 1    9    0   22 o  500.961   41.911  630.363  133.658  630.363  133.658  630.363  133.658  500.961   59.271  500.961   59.271 -0.000000 0.000000 
1 1 1    9    0   24 o  215.458   20.682  115.241   27.921  115.241   27.921  115.241   27.921  215.458   29.249  215.458   29.249 -0.000000 0.000000 
1 1 1    9    0   25 o  246.557   22.589  150.584   35.107  150.584   35.107  150.584   35.107  246.557   31.946  246.557   31.946 -0.000000 0.000000 
1 1 1    9    0   26 o   88.798   14.614   21.227   7.4585   21.227   7.4585   21.227   7.4585   88.798   20.667   88.798   20.667 -0.000000 0.000000 
1 1 1    9    0   27 o   25.411   12.093  -2.5128   5.8108  -2.5128   5.8108  -2.5128   5.8108   25.411   17.102   25.411   17.102 -0.000000 0.000000 
1 1 1    9    0   28 o  553.680   30.084  746.377  108.596  746.377  108.596  746.377  108.596  553.680   42.545  553.680   42.545 -0.000000 0.000000 
1 1 1    9    0   29 o  190.185   13.245   87.351   16.278   87.351   16.278   87.351   16.278  190.185   18.731  190.185   18.731 -0.000000 0.000000 
1 1 1    9    0   30 o  262.805   16.219  166.250   27.679  166.250   27.679  166.250   27.679  262.805   22.938  262.805   22.938 -0.000000 0.000000 
1 1 1    9    0   31 o  366.172   21.040  324.667   50.146  324.667   50.146  324.667   50.146  366.172   29.755  366.172   29.755 -0.000000 0.000000 
1 1 1    9    0   32 o  157.436   12.641   60.529   12.716   60.529   12.716   60.529   12.716  157.436   17.878  157.436   17.878 -0.000000 0.000000 
1 1 1    9    0   33 o   45.826   16.929   7.2339   6.7205   7.2339   6.7205   7.2339   6.7205   45.826   23.942   45.826   23.942 -0.000000 0.000000 
1 1 1    9    0   34 o   75.346   21.212   18.609   10.211   18.609   10.211   18.609   10.211   75.346   29.998   75.346   29.998 -0.000000 0.000000 
1 1 1    9    0   35 o   29.545   13.471   0.0063   6.0964   0.0063   6.0964   0.0063   6.0964   29.545   19.051   29.545   19.051 -0.000000 0.000000 
1 1 1    9    0   36 o   81.908   16.708   19.312   7.8461   19.312   7.8461   19.312   7.8461   81.908   23.629   81.908   23.629 -0.000000 0.000000 
1 1 1    9    0   37 o  365.663   21.446  328.070   51.010  328.070   51.010  328.070   51.010  365.663   30.329  365.663   30.329 -0.000000 0.000000 
1 1 1    9    0   38 o  131.340   11.330   42.439   9.4440   42.439   9.4440   42.439   9.4440  131.340   16.023  131.340   16.023 -0.000000 0.000000 
1 1 1    9    0   39 o  111.005   15.193   32.240   9.9451   32.240   9.9451   32.240   9.9451  111.005   21.486  111.005   21.486 -0.000000 0.000000 
1 1 1    9    0   40 o  368.530   33.872  360.690   78.654  360.690   78.654  360.690   78.654  368.530   47.903  368.530   47.903 -0.000000 0.000000 
1 1 1    9    0   41 o  143.621   18.162   53.759   15.598   53.759   15.598   53.759   15.598  143.621   25.684  143.621   25.684 -0.000000 0.000000 
1 1 1    9    0   42 o  267.332   15.144  173.828   26.362  173.828   26.362  173.828   26.362  267.332   21.416  267.332   21.416 -0.000000 0.000000 
1 1 1    9    0   43 o   90.370   15.156   22.377   7.8586   22.377   7.8586   22.377   7.8586   90.370   21.434   90.370   21.434 -0.000000 0.000000 
1 1 1    9    0   44 o  192.388   10.801   89.330   13.535   89.330   13.535   89.330   13.535  192.388   15.274  192.388   15.274 -0.000000 0.000000 
1 1 1    9    0   45 o  108.956   9.9741   29.401   6.8508   29.401   6.8508   29.401   6.8508  108.956   14.105  108.956   14.105 -0.000000 0.000000 
1 1 1    9    0   46 o  108.136   10.991   29.332   7.3840   29.332   7.3840   29.332   7.3840  108.136   15.543  108.136   15.543 -0.000000 0.000000 
1 1 1    9    0   47 o   85.608   12.723   19.536   6.3385   19.536   6.3385   19.536   6.3385   85.608   17.993   85.608   17.993 -0.000000 0.000000 
1 1 1    9    0   48 o   33.406   14.101   2.9619   5.5042   2.9619   5.5042   2.9619   5.5042   33.406   19.942   33.406   19.942 -0.000000 0.000000 
1 1 1    9    0   49 o  210.302   11.168  106.942   15.322  106.942   15.322  106.942   15.322  210.302   15.794  210.302   15.794 -0.000000 0.000000 
1 1 1    9    0   50 o  263.465   13.014  168.532   22.408  168.532   22.408  168.532   22.408  263.465   18.404  263.465   18.404 -0.000000 0.000000 
1 1 1    9    0   51 o   34.011   14.400   3.0177   5.7750   3.0177   5.7750   3.0177   5.7750   34.011   20.364   34.011   20.364 -0.000000 0.000000 
1 1 1    9    0   52 o  167.751   9.9521   68.281   10.856   68.281   10.856   68.281   10.856  167.751   14.074  167.751   14.074 -0.000000 0.000000 
1 1 1    9    0   53 o  285.514   13.929  199.379   25.997  199.379   25.997  199.379   25.997  285.514   19.698  285.514   19.698 -0.000000 0.000000 
1 1 1    9    0   54 o   23.979   12.036 -10.2609   8.0833 -10.2609   8.0833 -10.2609   8.0833   23.979   17.022   23.979   17.022 -0.000000 0.000000 
1 1 1    9    0   55 o   71.949   24.578   19.889   13.597   19.889   13.597   19.889   13.597   71.949   34.758   71.949   34.758 -0.000000 0.000000 
1 1 1    9    0   56 o   66.520   19.381   15.355   8.4404   15.355   8.4404   15.355   8.4404   66.520   27.409   66.520   27.409 -0.000000 0.000000 
1 1 1    9    0   57 o  170.489   11.437   71.839   12.621   71.839   12.621   71.839   12.621  170.489   16.175  170.489   16.175 -0.000000 0.000000 
1 1 1    9    0   58 o   30.238   14.646  -5.0446   9.3288  -5.0446   9.3288  -5.0446   9.3288   30.238   20.713   30.238   20.713 -0.000000 0.000000 
1 1 1    9    0   59 o  187.444   15.500   90.628   18.516   90.628   18.516   90.628   18.516  187.444   21.920  187.444   21.920 -0.000000 0.000000 
1 1 1    9    0   60 o   40.299   17.538   4.3644   9.0822   4.3644   9.0822   4.3644   9.0822   40.299   24.802   40.299   24.802 -0.000000 0.000000 
1 1 1    9    0   61 f   25.699   12.505  -4.2986   6.9799  -4.2986   6.9799  -4.2986   6.9799   25.699   17.684   25.699   17.684 -0.000000 0.000000 
1 1 1    9    0   62 o   67.715   19.159   16.290   8.3185   16.290   8.3185   16.290   8.3185   67.715   27.095   67.715   27.095 -0.000000 0.000000 
1 1 1    9    0   63 o   98.499   15.627   27.801   8.8812   27.801   8.8812   27.801   8.8812   98.499   22.100   98.499   22.100 -0.000000 0.000000 
1 1 1    9    0   64 o   50.476   17.530   9.9423   6.9611   9.9423   6.9611   9.9423   6.9611   50.476   24.791   50.476   24.791 -0.000000 0.000000 
1 1 1    9    0   65 o   35.329   16.101   2.3235   8.6952   2.3235   8.6952   2.3235   8.6952   35.329   22.770   35.329   22.770 -0.000000 0.000000 
1 1 1    9    0   66 o   23.355   11.685  -7.4700   7.4085  -7.4700   7.4085  -7.4700   7.4085   23.355   16.525   23.355   16.525 -0.000000 0.000000 
1 1 1    9    0   67 o   43.429   19.293   7.2383   11.577   7.2383   11.577   7.2383   11.577   43.429   27.285   43.429   27.285 -0.000000 0.000000 
1 1 1    9    0   68 o   85.561   26.707   35.529   15.871   35.529   15.871   35.529   15.871   85.561   37.770   85.561   37.770 -0.000000 0.000000 
1 1 1    9    1    0 o  319.954   18.170  244.944   37.854  244.944   37.854  244.944   37.854  319.954   25.697  319.954   25.697 -0.000000 0.000000 
1 1 1    9    1    1 o  1050.11   53.568  2783.22  257.721  2737.05  332.717  2852.47  407.491  1047.23   67.981  1052.99   82.804 -5.755859 107.1350 
1 1 1    9    1    2 o  228.053   16.193  130.394   13.335  135.512   14.915  110.007   29.768  240.505   13.270  215.602   29.544 24.90338 32.38677 
1 1 1    9    1    3 o  323.729   20.235  249.077   24.382  249.935   27.263  245.648   54.495  326.288   17.879  321.169   36.306 5.118988 40.46930 
1 1 1    9    1    4 o  416.396   18.483  409.173   35.964  417.034   50.862  401.314   50.860  420.435   25.885  412.357   26.391 8.077789 36.96673 
1 1 1    9    1    5 o  795.629   39.226  1546.24  142.636  1557.48  184.147  1529.37  225.520  802.854   49.078  788.403   61.206 14.45081 78.45258 
1 1 1    9    1    6 o  955.580   42.182  2241.05  188.126  2369.49  266.054  2112.61  266.046  984.339   57.834  926.820   61.421 57.51886 84.36424 
1 1 1    9    1    7 o  179.293   8.5700   75.121   7.1148   74.199   9.4154   76.348   10.863  178.037   11.316  180.550   12.874 -2.512665 17.13993 
1 1 1    9    1    8 o  579.580   25.003  798.672   67.682  766.076   95.716  831.270   95.719  567.546   36.086  591.614   34.619 -24.06848 50.00684 
1 1 1    9    1    9 o  438.990   23.565  457.242   48.329  443.053   68.325  471.449   68.371  432.071   33.836  445.908   32.808 -13.83643 47.13032 
1 1 1    9    1   10 o  304.485   19.598  220.353   24.069  216.031   48.047  221.801   27.810  301.668   34.079  307.301   19.364 -5.633057 39.19648 
1 1 1    9    1   11 o  816.074   53.463  1685.11  174.285  1657.96  348.513  1694.16  201.258  795.750   93.713  836.399   51.487 -40.64893 106.9253 
1 1 1    9    1   12 o  442.424   22.127  469.455   44.485  436.253   70.314  491.614   57.443  428.449   35.115  456.398   26.931 -27.94864 44.25343 
1 1 1    9    1   13 o  291.387   16.528  201.699   22.190  162.918   31.351  240.626   31.410  262.857   25.521  319.916   21.008 -57.05899 33.05536 
1 1 1    9    1   14 f  881.604   40.239  1887.56  162.795  1839.67  210.162  1959.40  257.411  871.109   51.622  892.098   61.741 -20.98871 80.47856 
1 1 1    9    1   15 o  819.277   55.166  1764.79  176.637  1828.43  203.959  1573.85  353.289  869.091   50.215  769.464   98.243 99.62683 110.3321 
1 1 1    9    1   16 o  595.068   40.446  897.832   94.759  929.232  109.414  803.606  189.537  624.301   37.501  565.834   71.674 58.46667 80.89183 
1 1 1    9    1   17 o  278.252   15.780  182.990   20.381  158.391   28.789  207.703   28.856  259.294   23.757  297.210   20.775 -37.91544 31.55938 
1 1 1    9    1   18 o  397.470   21.663  374.160   40.241  374.867   56.911  373.453   56.907  397.850   30.608  397.090   30.664 0.7607727 43.32599 
1 1 1    9    1   19 o  864.610   46.805  1861.58  189.128  1864.23  267.473  1858.92  267.463  865.267   66.144  863.954   66.241 1.313049 93.61034 
1 1 1    9    1   20 o  390.054   21.578  361.279   39.320  349.454   55.594  373.116   55.620  383.565   31.013  396.543   30.012 -12.97763 43.15698 
1 1 1    9    1   21 o  229.373   16.770  122.507   17.010  129.852   29.626  118.895   20.775  234.044   27.085  224.701   19.783 9.343231 33.54042 
1 1 1    9    1   22 o  491.756   40.315  608.331   91.014  485.153  128.704  731.542  128.721  438.154   62.853  545.359   50.504 -107.2044 80.62935 
1 1 1    9    1   24 o  374.641   42.310  340.971   74.080  340.971   74.080   0.0000   0.0000  374.641   42.310  ?   ?       ?      ? 
1 1 1    9    1   25 o  730.719   49.422  1344.70  160.919  1544.53  278.734  1244.79  197.081  760.459   78.428  700.978   60.158 59.48053 98.84323 
1 1 1    9    1   26 f  177.515   12.243   74.265   10.115   82.790   14.410   65.984   14.202  187.634   16.432  167.395   18.154 20.23845 24.48621 
1 1 1    9    1   27 o  451.125   24.032  491.164   50.334  428.024   71.179  554.315   71.185  421.175   36.162  481.075   31.662 -59.89987 48.06390 
1 1 1    9    1   28 o  374.547   25.923  346.666   42.218  320.380   73.048  359.850   51.733  361.021   43.294  388.073   28.524 -27.05200 51.84599 
1 1 1    9    1   29 o  266.454   20.514  179.965   23.218  198.996   28.521  142.576   39.977  290.043   21.041  242.865   35.221 47.17896 41.02700 
1 1 1    9    1   30 o  423.876   23.582  433.785   46.704  444.776   66.066  422.805   66.032  429.418   32.920  418.334   33.775 11.08405 47.16381 
1 1 1    9    1   31 o  425.837   35.101  471.948   67.389  603.938   95.416  340.588   95.188  491.954   41.501  359.720   56.621 132.2344 70.20126 
1 1 1    9    1   32 o  182.391   14.374   75.489   11.752   92.596   20.372   66.956   14.387  196.822   22.147  167.961   18.329 28.86069 28.74787 
1 1 1    9    1   33 o  200.524   13.440   96.429   12.446   80.188   17.689  112.352   17.515  183.346   20.644  217.702   17.215 -34.35585 26.88005 
1 1 1    9    1   34 o  176.639   11.034   73.609   8.9047   72.881   11.424   74.735   14.215  175.750   13.908  177.528   17.133 -1.778290 22.06776 
1 1 1    9    1   35 o  253.715   14.136  156.932   16.186  168.826   20.884  139.040   25.613  266.804   16.749  240.627   22.776 26.17705 28.27135 
1 1 1    9    1   36 o   80.447   12.269   15.287   4.4008   12.585   5.5873   19.701   7.1428   71.387   16.992   89.507   17.702 -18.12067 24.53794 
1 1 1    9    1   37 o  120.471   9.7521   33.594   5.4074   30.285   6.9510   38.666   8.6057  113.192   13.140  127.750   14.414 -14.55856 19.50423 
1 1 1    9    1   38 o  133.531   10.669   43.072   6.4345   45.384   8.2495   39.480   10.282  138.508   12.744  128.554   17.114 9.953903 21.33795 
1 1 1    9    1   39 o   84.077   15.213   16.426   5.7131   13.670   6.9092   22.384   10.159   74.056   19.641   94.098   23.238 -20.04214 30.42692 
1 1 1    9    1   40 o  194.418   26.668   93.586   24.231   93.586   24.231   0.0000   0.0000  194.418   26.668  ?   ?       ?      ? 
1 1 1    9    1   41 o   55.972   14.284   6.4456   4.9133   8.8143   6.2292   2.5454   7.9932   60.828   19.418   51.115   20.955 9.712181 28.56852 
1 1 1    9    1   42 o  186.555   15.250   83.481   12.648   90.192   21.821   80.086   15.521  190.933   24.454  182.178   18.229 8.755081 30.50094 
1 1 1    9    1   43 o   51.233   13.191   5.1188   4.2574   1.8375   6.4287   7.6823   5.6821   45.461   18.733   57.006   18.578 -11.54525 26.38283 
1 1 1    9    1   44 o  314.264   16.766  247.238   24.094  244.755   37.979  248.911   31.169  310.721   26.153  317.807   20.986 -7.085754 33.53183 
1 1 1    9    1   45 o   74.388   12.973   14.046   4.4967   12.258   6.5769   15.615   6.1618   69.817   19.439   78.959   17.186 -9.142143 25.94692 
1 1 1    9    1   46 o  150.915   9.7557   54.487   6.8744   51.499   9.6578   57.555   9.7873  146.645   14.092  155.185   13.495 -8.539124 19.51131 
1 1 1    9    1   47 o  126.623   9.5651   38.444   5.6522   41.262   8.0807   35.745   7.9089  131.249   13.174  121.998   13.871 9.250633 19.13015 
1 1 1    9    1   48 o   41.022   11.835   0.7500   3.8057   4.5215   5.4212  -2.9143   5.3436   48.126   17.957   33.918   15.421 14.20764 23.66976 
1 1 1    9    1   49 o  124.570   9.9918   37.441   5.7969   40.327   8.1215   34.442   8.2769  129.659   13.403  119.481   14.823 10.17762 19.98351 
1 1 1    9    1   50 o  120.771   10.146   35.293   5.6533   28.677   7.9188   42.170   8.0734  108.852   15.566  132.690   13.019 -23.83788 20.29281 
1 1 1    9    1   51 o  143.028   10.933   48.555   7.2299   42.906   9.4252   56.630   11.270  133.222   15.138  152.833   15.778 -19.61108 21.86548 
1 1 1    9    1   52 o  129.293   10.016   40.614   5.9900   47.801   8.5688   33.745   8.3767  140.872   13.015  117.714   15.227 23.15718 20.03110 
1 1 1    9    1   53 o  112.191   11.582   30.340   5.9715   28.548   7.6828   33.076   9.4908  108.416   15.163  115.967   17.512 -7.550362 23.16401 
1 1 1    9    1   54 o   73.419   16.086   9.6777   6.9445  -0.5385   8.7878   26.668   11.333   47.507   20.790   99.330   24.552 -51.82343 32.17243 
1 1 1    9    1   55 o   67.795   18.263   9.5212   8.4342   2.4692   12.448   15.506   11.467   58.748   25.228   76.842   26.414 -18.09331 36.52584 
1 1 1    9    1   56 o   74.386   16.208   14.922   6.0759   15.972   7.4048   12.758   10.630   77.713   20.201   71.059   25.352 6.653641 32.41662 
1 1 1    9    1   57 o  132.427   16.950   48.765   8.8455   50.570   10.338   43.833   17.091  142.942   15.475  121.913   30.163 21.02895 33.90070 
1 1 1    9    1   58 o   98.575   18.486   28.545   8.6575   31.491   10.908   23.528   14.232  107.720   22.397   89.431   29.415 18.28919 36.97100 
1 1 1    9    1   59 o  189.546   21.684  111.836   14.743   92.470   30.254  117.866   16.883  162.951   40.018  216.141   16.713 -53.18932 43.36784 
1 1 1    9    1   60 o   70.552   17.816   13.763   8.2420   20.005   10.154   1.7078   14.111   82.899   24.503   58.206   25.870 24.69334 35.63251 
1 1 1    9    1   61 o   81.956   15.446   18.651   5.9979   16.930   8.0143   20.844   9.0433   77.930   21.366   85.981   22.312 -8.050568 30.89262 
1 1 1    9    1   62 o   67.475   15.342   12.721   5.5922   9.6193   7.7870   16.025   8.0360   60.227   21.677   74.722   21.717 -14.49549 30.68358 
1 1 1    9    1   63 o   65.871   16.451   12.851   6.3159   11.495   9.9901   13.753   8.1518   63.606   24.234   68.136   22.254 -4.529648 32.90184 
1 1 1    9    1   64 o   43.236   13.483  -1.5726   5.7897 -10.1200   8.8269   4.8814   7.6702   36.169   17.445   50.304   20.564 -14.13549 26.96689 
1 1 1    9    1   65 o   39.174   12.639  -2.4948   5.2616  -6.7595   7.3569   1.9707   7.5282   34.151   16.329   44.198   19.295 -10.04685 25.27700 
1 1 1    9    1   66 o   67.424   14.819   14.012   6.2931   2.0998   9.2756   24.173   8.5663   46.659   20.840   88.189   21.072 -41.52960 29.63709 
1 1 1    9    1   67 o   61.419   15.693   10.689   6.6489   21.289   9.5631   0.7697   9.2505   78.160   23.933   44.678   20.304 33.48188 31.38506 
1 1 1    9    1   68 o   58.037   16.913   11.934   7.7995   4.0903   14.820   14.939   9.1726   52.083   24.375   63.991   23.452 -11.90723 33.82501 
1 1 1    9    2    0 o  182.167   9.5009   78.902   11.296   78.902   11.296   78.902   11.296  182.167   13.436  182.167   13.436 -0.000000 0.000000 
1 1 1    9    2    1 o  109.277   7.0254   27.976   3.5826   29.638   5.0551   26.300   5.0781  112.545   9.6108  106.009   10.250 6.536469 14.05080 
1 1 1    9    2    2 o  500.660   25.013  603.397   56.919  630.399   73.488  562.913   89.985  515.967   30.476  485.353   39.670 30.61426 50.02519 
1 1 1    9    2    3 o  476.745   23.139  532.571   50.766  503.422   65.540  576.290   80.265  461.126   30.412  492.363   34.882 -31.23715 46.27748 
1 1 1    9    2    4 o  313.247   20.100  235.476   25.259  239.042   29.177  224.807   50.465  318.980   19.572  307.513   35.114 11.46671 40.20017 
1 1 1    9    2    5 o  348.062   23.356  290.147   35.610  295.624   43.621  279.205   61.654  353.977   26.368  342.147   38.557 11.82910 46.71117 
1 1 1    9    2    6 o  294.802   20.948  212.015   26.717  187.490   46.232  224.314   32.738  280.869   35.220  308.736   22.689 -27.86710 41.89583 
1 1 1    9    2    7 o  287.405   14.680  193.148   19.370  199.465   30.606  188.927   25.017  291.158   22.492  283.652   18.872 7.506805 29.36054 
1 1 1    9    2    8 o  300.014   13.175  211.356   18.469  205.981   26.115  216.735   26.122  296.180   18.866  303.849   18.395 -7.669434 26.35009 
1 1 1    9    2    9 o  389.113   21.615  358.409   39.292  369.275   55.547  347.529   55.587  395.094   30.083  383.132   31.045 11.96167 43.22900 
1 1 1    9    2   10 o  301.319   14.389  210.806   19.945  199.765   25.732  227.423   31.568  291.672   18.877  310.965   21.721 -19.29236 28.77811 
1 1 1    9    2   11 o  365.525   18.917  316.923   31.564  323.292   40.741  307.359   49.924  370.547   23.526  360.503   29.632 10.04413 37.83498 
1 1 1    9    2   12 o  424.537   23.056  427.651   45.691  403.925   64.585  451.422   64.648  412.571   33.496  436.504   31.690 -23.93317 46.11139 
1 1 1    9    2   13 f  1077.93   61.922  3006.37  311.890  3065.56  441.065  2947.17  441.094  1089.68   86.609  1066.17   88.524 23.50818 123.8448 
1 1 1    9    2   14 o  444.378   23.683  469.164   49.119  496.771   69.452  441.538   69.477  457.677   32.470  431.079   34.486 26.59775 47.36649 
1 1 1    9    2   15 o  509.677   33.839  632.938   75.425  644.970   92.360  608.848  130.686  520.011   38.004  499.342   56.000 20.66934 67.67788 
1 1 1    9    2   16 o  132.208   9.4643   41.384   5.7480   32.556   8.1089   50.300   8.1490  117.849   14.723  146.566   11.897 -28.71705 18.92863 
1 1 1    9    2   17 o  511.120   40.141  654.502   91.669  865.942  129.699  443.449  129.581  599.545   46.289  422.695   65.595 176.8498 80.28278 
1 1 1    9    2   18 o  260.421   17.925  152.906   20.941  136.708   25.678  185.070   36.185  240.968   22.801  279.874   27.664 -38.90639 35.84996 
1 1 1    9    2   19 o  421.297   22.483  421.249   44.265  416.939   62.617  425.554   62.583  419.107   31.968  423.487   31.621 -4.379120 44.96523 
1 1 1    9    2   20 o  291.545   23.463  200.581   31.969   0.0000   0.0000  200.581   31.969  ?   ?   291.545   23.463      ?      ? 
1 1 1    9    2   21 o  411.347   27.093  396.361   49.654  442.663   85.955  373.171   60.830  427.357   43.037  395.336   32.924 32.02145 54.18601 
1 1 1    9    2   22 o  285.153   33.239  194.342   44.296  194.342   44.296   0.0000   0.0000  285.153   33.239  ?   ?       ?      ? 
1 1 1    9    2   23 o  176.385   17.211   73.156   14.187   73.156   14.187   0.0000   0.0000  176.385   17.211  ?   ?       ?      ? 
1 1 1    9    2   25 o  335.363   22.339  264.685   33.228  282.499   57.547  255.776   40.697  342.569   35.944  328.158   26.536 14.41144 44.67860 
1 1 1    9    2   26 o  244.660   14.676  141.375   16.759  150.226   23.779  132.639   23.623  252.343   20.163  236.978   21.330 15.36502 29.35152 
1 1 1    9    2   27 o  424.835   23.524  433.673   46.704  430.852   66.084  436.489   66.016  423.409   33.396  426.261   33.138 -2.851410 47.04704 
1 1 1    9    2   28 o  561.514   30.826  778.511   80.392  683.529  113.690  873.499  113.694  525.319   46.308  597.709   40.701 -72.38995 61.65231 
1 1 1    9    2   29 o  278.206   14.777  184.883   18.708  191.848   24.141  174.412   29.598  285.245   18.109  271.168   23.355 14.07639 29.55338 
1 1 1    9    2   30 o  392.410   17.996  367.465   32.299  369.146   41.687  364.940   51.088  394.345   22.620  390.475   27.995 3.869812 35.99126 
1 1 1    9    2   31 f  325.177   17.666  258.489   25.966  277.084   33.547  230.702   41.009  341.246   21.035  309.108   28.387 32.13785 35.33153 
1 1 1    9    2   32 o  245.445   14.385  145.605   16.007  153.243   20.635  134.064   25.366  254.283   17.364  236.606   22.939 17.67770 28.77011 
1 1 1    9    2   33 o  198.753   12.262   95.916   10.990  103.983   14.197   83.854   17.360  209.870   14.475  187.635   19.797 22.23547 24.52433 
1 1 1    9    2   34 o  467.869   33.483  562.333   69.084  547.227   84.593  592.581  119.706  466.413   38.808  469.326   54.575 -2.913086 66.96667 
1 1 1    9    2   35 o  206.686   11.524  100.123   10.965   95.064   14.178  107.650   17.296  200.464   15.134  212.908   17.382 -12.44394 23.04739 
1 1 1    9    2   36 o  263.064   15.693  172.664   18.405  194.211   23.795  140.575   29.038  285.596   17.828  240.531   25.832 45.06425 31.38650 
1 1 1    9    2   37 o  222.089   13.959  118.363   14.485  116.101   20.582  120.582   20.389  219.903   20.027  224.276   19.452 -4.372452 27.91847 
1 1 1    9    2   38 o   91.285   12.258   20.508   5.0506   30.407   7.3926   11.842   6.9165  113.224   13.971   69.346   20.145 43.87791 24.51543 
1 1 1    9    2   39 o  434.932   42.277  567.091   85.744  533.267  121.301  600.871  121.220  418.262   62.054  451.602   57.435 -33.34033 84.55489 
1 1 1    9    2   40 o   79.769   23.147   15.910   9.1361   15.910   9.1361   0.0000   0.0000   79.769   23.147  ?   ?       ?      ? 
1 1 1    9    2   41 o  161.499   14.314   62.912   10.228   62.245   12.571   64.218   17.591  161.173   16.689  161.826   23.259 -0.6536102 28.62715 
1 1 1    9    2   42 o   86.141   14.233   19.497   5.7362   12.929   9.2570   23.591   7.3084   73.028   23.708   99.254   15.756 -26.22598 28.46623 
1 1 1    9    2   43 o  354.002   20.446  320.843   33.801  334.638   47.843  307.096   47.760  362.297   28.256  345.708   29.561 16.58902 40.89294 
1 1 1    9    2   44 o   65.789   14.995   9.5508   5.1313   6.8012   6.3756   14.607   8.6459   55.642   19.657   75.935   22.649 -20.29337 29.98986 
1 1 1    9    2   45 o  105.780   10.926   26.968   5.3154   26.318   8.2229   27.435   6.9665  104.409   16.852  107.150   13.912 -2.741455 21.85223 
1 1 1    9    2   46 o  220.131   11.260  117.379   11.519  129.989   16.185  104.435   16.398  232.597   14.889  207.666   16.896 24.93050 22.52044 
1 1 1    9    2   47 o   53.374   12.617   6.3775   3.9420   9.6606   5.3509   2.4807   5.8295   62.031   17.627   44.717   18.057 17.31358 25.23441 
1 1 1    9    2   48 f  195.760   10.348   92.449   9.4664   92.903   13.336   91.988   13.439  196.285   14.538  195.236   14.729 1.048599 20.69541 
1 1 1    9    2   49 o   83.950   13.325   18.312   5.1715   13.871   8.0173   21.476   6.7677   73.665   21.772   94.234   15.367 -20.56934 26.64927 
1 1 1    9    2   50 o  218.428   11.707  116.110   11.923  125.282   16.890  107.001   16.833  227.368   15.895  209.489   17.193 17.87872 23.41460 
1 1 1    9    2   51 o  124.041   10.201   37.656   5.7699   46.769   8.1495   28.497   8.1702  139.806   12.473  108.276   16.146 31.53004 20.40228 
1 1 1    9    2   52 o   75.458   12.941   14.620   4.5208   13.512   6.3256   15.778   6.4634   72.453   18.590   78.463   18.008 -6.009926 25.88132 
1 1 1    9    2   53 f   61.199   13.703   9.2768   4.4463   7.4374   6.4094   10.983   6.1734   56.713   19.733   65.686   19.018 -8.972641 27.40548 
1 1 1    9    2   54 o  110.487   14.953   31.641   7.5351   27.140   10.665   36.127   10.647  100.849   23.122  120.124   18.965 -19.27457 29.90506 
1 1 1    9    2   55 o  115.999   18.213   36.894   10.810   62.626   15.645   13.381   14.955  156.165   21.436   75.834   29.452 80.33151 36.42674 
1 1 1    9    2   56 o   52.989   14.801   4.5125   5.7405   8.4118   7.0470  -3.1792   9.8974   59.119   20.684   46.859   21.178 12.25978 29.60263 
1 1 1    9    2   57 o   96.548   15.348   24.608   6.5604   23.255   8.2129   26.994   10.905   94.102   19.322   98.995   23.852 -4.893150 30.69617 
1 1 1    9    2   58 o   78.775   16.322   17.979   6.8266   9.1547   11.454   22.841   8.5016   65.030   25.623   92.520   20.226 -27.48969 32.64394 
1 1 1    9    2   59 o   57.974   15.695   6.7954   6.6120  -6.5975   12.393   12.125   7.8176   48.634   22.604   67.314   21.781 -18.68009 31.39044 
1 1 1    9    2   60 o   40.430   12.807  -2.4906   5.2017   1.7358   7.0227  -7.6278   7.7425   44.985   19.123   35.875   17.039 9.109631 25.61302 
1 1 1    9    2   61 o  198.945   12.052  101.592   10.881   73.987   14.963  132.576   15.852  167.968   19.062  229.922   14.753 -61.95416 24.10363 
1 1 1    9    2   62 o   69.139   15.204   13.708   5.4391   14.547   7.1719   12.571   8.3446   71.743   20.415   66.535   22.537 5.208305 30.40819 
1 1 1    9    2   63 f   82.004   13.278   17.564   5.5439   7.2616   7.2647   31.929   8.5785   54.074   20.650  109.934   16.697 -55.85928 26.55597 
1 1 1    9    2   64 o   89.840   17.973   22.724   7.2616   34.468   13.877   18.295   8.5215  101.483   28.230   78.197   22.253 23.28545 35.94616 
1 1 1    9    2   65 o   44.697   13.219   2.5714   4.7972  -1.2888   6.5807   6.9491   7.0079   37.699   17.130   51.696   20.138 -13.99648 26.43769 
1 1 1    9    2   66 o   53.691   14.603   8.1150   5.2365   10.317   7.3808   5.8834   7.4304   57.952   21.067   49.431   20.227 8.520409 29.20549 
1 1 1    9    2   67 o   63.276   15.243   11.533   6.3828   0.9982   8.9057   22.660   9.1526   44.370   20.067   82.183   22.950 -37.81288 30.48578 
1 1 1    9    2   68 o   49.224   14.549   4.6959   5.9560  -1.8497   8.0909   12.439   8.7999   39.030   18.181   59.417   22.719 -20.38712 29.09827 
1 1 1    9    3    0 o  272.494   12.538  176.080   22.362  176.080   22.362  176.080   22.362  272.494   17.731  272.494   17.731 -0.000000 0.000000 
1 1 1    9    3    1 o  767.507   33.933  1421.00  121.688  1455.60  172.094  1386.41  172.090  777.151   47.382  757.862   48.587 19.28955 67.86623 
1 1 1    9    3    2 o  577.171   23.424  784.420   62.717  744.723   82.967  837.348   95.801  560.635   31.665  593.707   34.527 -33.07147 46.84832 
1 1 1    9    3    3 o  545.660   26.009  697.078   65.384  777.215  103.383  643.656   84.410  570.811   38.754  520.509   34.699 50.30219 52.01848 
1 1 1    9    3    4 o  337.559   15.841  275.390   23.205  247.684   40.166  289.271   28.429  324.002   26.526  351.115   17.325 -27.11343 31.68217 
1 1 1    9    3    5 o  707.872   34.807  1206.76  112.897  1225.36  178.495  1194.36  145.756  710.205   53.777  705.539   44.204 4.666016 69.61327 
1 1 1    9    3    6 o  130.637   10.081   37.284   5.5255   46.205   10.940   34.229   6.4021  140.351   16.678  120.924   11.328 19.42791 20.16165 
1 1 1    9    3    7 o  254.568   12.475  150.759   14.049  156.144   24.334  148.067   17.206  257.781   20.198  251.355   14.647 6.425598 24.95033 
1 1 1    9    3    8 o  555.528   25.635  742.802   62.280  708.458  107.865  759.979   76.280  543.968   42.429  567.087   28.782 -23.11902 51.27000 
1 1 1    9    3    9 o  288.365   13.018  195.229   17.542  198.562   24.801  191.892   24.815  290.840   18.246  285.890   18.572 4.949982 26.03582 
1 1 1    9    3   10 o  820.302   35.013  1625.89  134.158  1567.67  189.718  1684.13  189.739  805.114   50.421  835.490   48.593 -30.37537 70.02501 
1 1 1    9    3   11 o  580.383   23.618  799.404   64.044  820.593   90.566  778.209   90.578  588.197   32.946  572.570   33.850 15.62701 47.23581 
1 1 1    9    3   12 o  421.267   18.358  418.660   36.133  429.219   51.094  408.096   51.107  426.632   25.626  415.903   26.293 10.72946 36.71511 
1 1 1    9    3   13 o  604.932   27.475  873.389   77.665  890.042  109.827  856.732  109.842  610.824   38.472  599.040   39.235 11.78406 54.95001 
1 1 1    9    3   14 o  470.106   19.642  522.371   43.119  498.121   60.966  546.643   60.992  459.065   28.416  481.147   27.124 -22.08270 39.28363 
1 1 1    9    3   15 o  504.956   22.823  601.920   52.881  619.779   83.595  590.005   68.280  510.504   35.038  499.409   29.254 11.09494 45.64506 
1 1 1    9    3   16 o  268.754   14.074  170.204   17.302  167.477   27.315  172.031   22.360  266.790   21.908  270.719   17.673 -3.928955 28.14775 
1 1 1    9    3   17 o  279.696   21.236  198.294   24.996  152.059   43.362  221.302   30.590  252.653   36.723  306.738   21.338 -54.08478 42.47266 
1 1 1    9    3   18 o  309.647   24.696  228.126   35.730  234.114   50.607  222.173   50.453  313.764   34.512  305.530   35.334 8.234131 49.39142 
1 1 1    9    3   19 o  609.922   47.055  1004.45  118.832  1135.56  145.539  742.213  205.823  685.498   45.429  534.346   82.419 151.1512 94.10989 
1 1 1    9    3   20 o  297.385   23.364  211.494   32.290  184.976   45.397  238.646   45.937  278.114   34.927  316.657   31.041 -38.54294 46.72716 
1 1 1    9    3   21 o  566.267   64.772  813.964  171.416  813.964  171.416   0.0000   0.0000  566.267   64.772  ?   ?       ?      ? 
1 1 1    9    3   22 f  239.688   20.491  135.421   22.953  135.421   22.953   0.0000   0.0000  239.688   20.491  ?   ?       ?      ? 
1 1 1    9    3   23 o  537.841   39.261  698.475   98.688  698.475   98.688   0.0000   0.0000  537.841   39.261  ?   ?       ?      ? 
1 1 1    9    3   24 o  208.328   16.588  107.740   14.679  116.353   17.861   89.816   25.765  222.390   17.185  194.265   28.379 28.12526 33.17637 
1 1 1    9    3   25 o  254.004   15.729  152.810   18.623  164.697   26.255  140.774   26.419  264.090   21.273  243.919   23.176 20.17039 31.45865 
1 1 1    9    3   26 o  507.649   26.342  627.291   60.896  646.731   78.612  598.123   96.293  519.572   32.374  495.727   41.563 23.84442 52.68408 
1 1 1    9    3   27 o  223.903   13.668  118.423   14.289  113.987   20.359  122.729   20.060  219.710   19.827  228.097   18.818 -8.387558 27.33514 
1 1 1    9    3   28 o  343.652   19.188  282.003   30.762  263.202   43.522  300.773   43.485  331.952   28.054  355.352   26.184 -23.39944 38.37503 
1 1 1    9    3   29 o  453.651   23.139  497.461   47.908  506.184   61.831  484.358   75.780  460.149   28.752  447.153   36.262 12.99551 46.27778 
1 1 1    9    3   30 o  327.788   16.843  255.603   25.279  254.402   32.616  257.409   40.005  327.442   21.313  328.134   26.087 -0.6920471 33.68646 
1 1 1    9    3   31 o  293.792   15.572  206.745   20.905  209.699   27.007  202.330   33.021  297.096   19.451  290.488   24.323 6.607758 31.14359 
1 1 1    9    3   32 o  321.366   18.010  249.132   26.985  269.050   38.236  229.367   38.089  334.558   24.454  308.174   26.446 26.38342 36.01947 
1 1 1    9    3   33 o  202.037   12.112   99.641   10.983  109.573   14.171   84.704   17.379  215.490   14.071  188.584   19.719 26.90608 24.22477 
1 1 1    9    3   34 o  140.083   10.034   46.110   6.4708   45.089   8.4121   47.589   10.127  138.307   13.014  141.858   15.275 -3.550461 20.06702 
1 1 1    9    3   35 o  305.251   17.951  225.801   25.552  209.419   36.182  242.099   36.090  293.783   26.353  316.719   24.382 -22.93604 35.90189 
1 1 1    9    3   36 o  327.680   19.509  263.413   29.720  233.763   42.027  293.072   42.034  308.317   29.167  347.043   25.916 -38.72617 39.01762 
1 1 1    9    3   37 o  137.691   10.059   43.648   6.3714   35.120   8.2891   55.962   9.9604  121.678   14.577  153.705   13.866 -32.02686 20.11810 
1 1 1    9    3   38 o  264.018   15.174  168.752   18.717  174.281   26.521  163.267   26.418  268.463   21.138  259.574   21.777 8.889496 30.34852 
1 1 1    9    3   39 o   80.529   19.098   16.195   7.0787   16.195   7.0787   0.0000   0.0000   80.529   19.098  ?   ?       ?      ? 
1 1 1    9    3   40 o   94.288   17.109   21.912   7.2614   21.912   7.2614   0.0000   0.0000   94.288   17.109  ?   ?       ?      ? 
1 1 1    9    3   41 o  234.563   18.142  136.468   18.635  136.625   22.774  136.151   32.419  237.194   20.544  231.932   29.909 5.261520 36.28500 
1 1 1    9    3   42 o  140.767   11.508   47.823   7.5002   40.454   10.596   55.222   10.618  129.547   17.502  151.987   14.948 -22.44011 23.01628 
1 1 1    9    3   43 o   72.139   12.286   13.504   4.3682   18.323   5.7661   7.0120   6.6921   87.542   14.094   56.735   20.129 30.80703 24.57251 
1 1 1    9    3   44 o   96.670   12.459   23.063   5.4547   22.765   8.2618   23.293   7.2627   95.007   19.266   98.334   15.804 -3.326836 24.91858 
1 1 1    9    3   45 o  192.035   13.084   90.596   11.522   71.314   16.305  109.829   16.284  170.573   20.454  213.497   16.321 -42.92430 26.16740 
1 1 1    9    3   46 o   61.525   13.377   9.3950   4.2347   10.458   5.5696   7.9391   6.5193   64.536   17.860   58.513   19.920 6.023735 26.75409 
1 1 1    9    3   47 o  140.134   15.098   51.348   8.2818   53.460   9.7092   45.710   15.867  149.103   13.933  131.165   26.790 17.93816 30.19650 
1 1 1    9    3   48 o  189.785   12.115   89.603   10.402   79.465   16.318   96.543   13.501  179.401   19.462  200.169   14.432 -20.76874 24.22907 
1 1 1    9    3   49 o  123.354   11.161   35.884   6.3336   31.449   8.1275   42.742   10.107  114.058   15.247  132.651   16.303 -18.59322 22.32164 
1 1 1    9    3   50 o  124.151   10.222   37.105   5.9103   33.191   8.2453   41.240   8.4764  117.267   15.045  131.035   13.841 -13.76820 20.44346 
1 1 1    9    3   51 o   71.062   14.487   12.891   5.0316   13.076   7.7854   12.758   6.5936   71.518   21.529   70.606   19.389 0.9112396 28.97317 
1 1 1    9    3   52 o   47.507   13.372   2.2276   4.4531  -0.5435   5.6303   6.8573   7.2774   38.396   16.727   56.618   20.868 -18.22143 26.74391 
1 1 1    9    3   53 o  104.142   14.583   28.638   6.3327   25.240   11.571   30.091   7.5664   96.851   25.291  111.433   14.529 -14.58156 29.16691 
1 1 1    9    3   54 o  164.260   21.461   77.229   15.745   54.591   22.556   98.744   21.989  134.166   35.443  194.354   24.209 -60.18762 42.92172 
1 1 1    9    3   55 o   50.452   22.814  -3.4806   11.506  -3.4806   11.506   0.0000   0.0000   50.452   22.814  ?   ?       ?      ? 
1 1 1    9    3   56 o   91.210   18.002   21.750   8.1968   33.337   12.806   13.709   10.668  109.701   25.468   72.719   25.449 36.98283 36.00396 
1 1 1    9    3   57 o  106.517   12.442   29.466   5.8717   37.154   8.2598   21.613   8.3486  122.929   14.377   90.105   20.311 32.82366 24.88455 
1 1 1    9    3   58 f   46.082   14.386  -0.5286   5.5521  -1.3016   6.6052   1.3325   10.249   39.849   17.706   52.315   22.679 -12.46679 28.77243 
1 1 1    9    3   59 o   49.013   14.598   0.1202   5.2208  -3.0464   6.0997   8.7945   10.096   35.749   16.339   62.278   24.195 -26.52854 29.19551 
1 1 1    9    3   60 o   52.714   14.539   5.1726   5.2670   2.0623   7.0915   8.9996   7.8661   45.669   19.305   59.758   21.745 -14.08850 29.07794 
1 1 1    9    3   61 o   73.288   14.667   14.711   5.4678   20.155   7.8588   9.6028   7.6125   85.775   19.976   60.802   21.480 24.97385 29.33322 
1 1 1    9    3   62 o   94.923   13.992   25.510   6.0276   28.720   7.9508   21.172   9.2429  105.194   16.172   84.651   22.837 20.54303 27.98347 
1 1 1    9    3   63 o   98.519   14.051   28.535   6.1122   32.908   7.8024   21.588   9.8339  113.147   14.755   83.891   23.917 29.25645 28.10201 
1 1 1    9    3   64 o   43.220   14.050  -2.0129   6.2728   0.8823   7.3351  -9.8931   12.102   43.163   18.939   43.276   20.758 -0.1130676 28.09969 
1 1 1    9    3   65 o   45.280   14.208   2.3744   5.2874   3.7884   5.8199  -4.3083   12.653   43.903   17.926   46.656   22.048 -2.753212 28.41582 
1 1 1    9    3   66 o   67.224   17.331   14.481   6.3237   12.922   7.1960   19.766   13.251   63.801   20.913   70.646   27.644 -6.844711 34.66271 
1 1 1    9    3   67 o   64.984   18.069   13.906   7.7803   9.1086   9.6467   22.834   13.160   55.545   22.924   74.422   27.937 -18.87720 36.13854 
1 1 1    9    4    0 o  624.005   27.294  929.414  111.582  929.414  111.582  929.414  111.582  624.005   38.600  624.005   38.600 -0.000000 0.000000 
1 1 1    9    4    1 o  239.697   12.511  137.600   13.567  122.572   21.424  147.660   17.529  228.400   20.070  250.994   14.944 -22.59380 25.02270 
1 1 1    9    4    2 o  681.587   31.873  1137.71   94.489  1051.64  163.635  1180.77  115.734  658.246   53.192  704.929   35.130 -46.68286 63.74513 
1 1 1    9    4    3 o  273.568   14.441  178.520   17.929  163.886   28.352  188.271   23.143  263.879   22.990  283.258   17.482 -19.37909 28.88199 
1 1 1    9    4    4 o  229.615   9.9978  124.196   10.588  119.197   16.165  127.951   14.012  225.491   15.339  233.738   12.827 -8.246490 19.99561 
1 1 1    9    4    5 o  465.947   17.551  505.469   37.956  460.795   50.206  565.062   57.987  442.289   24.289  489.606   25.342 -47.31711 35.10223 
1 1 1    9    4    6 o  786.760   30.836  1485.09  113.242  1567.74  160.155  1402.47  160.140  809.234   42.347  764.287   44.833 44.94672 61.67101 
1 1 1    9    4    7 o  280.681   14.150  185.819   18.451  209.068   26.097  162.581   26.091  298.400   18.713  262.961   21.230 35.43848 28.30029 
1 1 1    9    4    8 o  593.862   24.698  836.826   67.878  845.645  103.685  830.212   89.793  595.931   37.229  591.792   32.466 4.138489 49.39672 
1 1 1    9    4    9 o  638.481   32.428  1006.69   93.031  865.409  147.084  1100.90  120.109  597.240   52.695  679.721   37.810 -82.48126 64.85655 
1 1 1    9    4   10 o  767.823   37.427  1426.46  131.708  1455.01  208.258  1407.44  170.029  771.465   57.762  764.180   47.609 7.285278 74.85340 
1 1 1    9    4   11 o  700.002   35.179  1206.22  111.344  1085.89  176.044  1286.45  143.748  666.990   56.475  733.014   41.961 -66.02393 70.35769 
1 1 1    9    4   12 o  733.539   36.117  1298.79  121.458  1328.81  192.053  1278.78  156.795  738.128   55.673  728.950   46.025 9.178040 72.23431 
1 1 1    9    4   13 o  731.893   32.754  1290.36  111.991  1331.73  158.371  1248.98  158.387  743.991   45.548  719.796   47.083 24.19513 65.50888 
1 1 1    9    4   14 o  351.702   16.933  291.939   27.759  316.069   39.247  267.782   39.268  366.392   22.920  337.013   24.932 29.37930 33.86606 
1 1 1    9    4   15 o  581.428   25.828  805.558   70.135  839.318   99.180  771.791   99.192  593.854   35.736  569.002   37.301 24.85217 51.65635 
1 1 1    9    4   16 o  370.143   16.063  323.184   27.699  352.731   39.178  293.654   39.166  387.219   21.649  353.068   23.736 34.15070 32.12648 
1 1 1    9    4   17 o  856.907   56.178  1860.23  193.261  1897.89  386.568  1847.68  223.150  843.629   98.046  870.184   54.871 -26.55554 112.3562 
1 1 1    9    4   18 o  438.328   24.773  457.731   50.746  451.941   71.710  463.540   71.822  435.504   35.233  441.153   34.836 -5.648773 49.54673 
1 1 1    9    4   19 o  360.693   28.931  308.704   48.768   0.0000   0.0000  308.704   48.768  ?   ?   360.693   28.931      ?      ? 
1 1 1    9    4   21 o  809.249  102.421  1862.07  387.359  1862.07  387.359   0.0000   0.0000  809.249  102.421  ?   ?       ?      ? 
1 1 1    9    4   22 o  419.315   31.766  419.649   62.252  419.649   62.252   0.0000   0.0000  419.315   31.766  ?   ?       ?      ? 
1 1 1    9    4   23 o  166.688   17.085   71.324   11.577   78.991   14.105   55.498   20.265  183.299   16.465  150.077   29.942 33.22284 34.17042 
1 1 1    9    4   24 o  442.826   46.618  520.939   89.529  688.028  126.459  353.035  126.767  526.644   51.379  359.009   77.801 167.6350 93.23502 
1 1 1    9    4   25 o  326.031   18.924  252.588   28.834  254.318   40.684  250.842   40.870  327.184   26.607  324.878   26.918 2.306091 37.84840 
1 1 1    9    4   26 o  384.227   21.456  353.028   38.521  345.613   54.482  360.441   54.473  380.097   30.670  388.356   30.013 -8.259247 42.91173 
1 1 1    9    4   27 o  159.282   10.467   58.884   7.6695   55.597   9.8900   63.842   12.148  153.844   13.755  164.721   15.780 -10.87764 20.93342 
1 1 1    9    4   28 o  310.136   17.629  228.631   25.552  228.006   36.126  229.257   36.145  309.706   24.959  310.566   24.903 -0.8601074 35.25801 
1 1 1    9    4   29 o  637.864   35.458  1021.79  105.688  1040.14  149.479  1003.45  149.453  644.015   49.664  631.714   50.622 12.30103 70.91632 
1 1 1    9    4   30 o  161.614   11.195   63.431   8.1287   69.714   10.497   54.019   12.848  172.155   13.046  151.073   18.197 21.08224 22.39050 
1 1 1    9    4   31 o  340.993   16.594  273.358   26.074  248.754   33.645  310.357   41.258  322.555   22.319  359.430   24.561 -36.87494 33.18729 
1 1 1    9    4   32 o  343.021   19.791  285.840   31.657  265.160   44.831  306.409   44.709  330.138   29.056  355.904   26.880 -25.76578 39.58265 
1 1 1    9    4   33 o  145.092   11.556   53.651   7.2314   64.739   9.3149   36.831   11.472  165.848   12.018  124.336   19.743 41.51186 23.11297 
1 1 1    9    4   34 o  156.798   11.192   58.202   8.1475   49.719   11.309   67.358   11.749  144.802   16.711  168.795   14.893 -23.99315 22.38409 
1 1 1    9    4   35 o  125.797   11.180   37.448   6.5554   41.393   9.4663   33.813   9.0867  132.207   15.321  119.387   16.286 12.81990 22.35960 
1 1 1    9    4   36 o  380.412   19.724  355.433   34.307  356.312   44.284  354.115   54.256  382.950   24.744  377.875   30.722 5.075317 39.44768 
1 1 1    9    4   37 o  150.862   11.605   54.262   8.1665   58.685   11.650   49.988   11.451  157.004   15.877  144.720   16.931 12.28342 23.21051 
1 1 1    9    4   38 o  139.034   11.259   46.018   7.2352   55.543   10.515   37.453   9.9710  152.882   14.716  125.186   17.043 27.69555 22.51734 
1 1 1    9    4   39 o   77.523   18.285   14.984   6.5172   14.984   6.5172   0.0000   0.0000   77.523   18.285  ?   ?       ?      ? 
1 1 1    9    4   40 f  239.665   20.809  139.390   23.307  139.390   23.307   0.0000   0.0000  239.665   20.809  ?   ?       ?      ? 
1 1 1    9    4   41 o  250.672   18.861  155.258   20.861  161.598   36.146  152.091   25.544  251.877   30.706  249.467   21.910 2.410339 37.72161 
1 1 1    9    4   42 o  184.474   14.735   79.839   12.188   71.942   14.957   95.449   21.028  172.298   18.574  196.650   22.880 -24.35199 29.47043 
1 1 1    9    4   43 o  176.803   12.384   75.773   10.228   78.680   14.498   72.894   14.430  180.288   17.207  173.318   17.815 6.970703 24.76847 
1 1 1    9    4   44 o  124.527   10.308   37.006   5.9430   36.040   7.8429   38.308   9.1074  122.815   13.664  126.238   15.437 -3.423286 20.61574 
1 1 1    9    4   45 o  327.447   19.378  273.778   29.443  308.899   41.691  238.832   41.587  350.304   25.466  304.590   29.214 45.71350 38.75523 
1 1 1    9    4   46 o  203.393   13.109  101.463   12.412   91.769   17.585  111.086   17.521  193.216   19.474  213.571   17.554 -20.35545 26.21810 
1 1 1    9    4   47 o   86.419   13.600   19.274   5.3790   15.361   7.7269   22.953   7.4925   77.209   20.902   95.629   17.406 -18.42017 27.20011 
1 1 1    9    4   48 o  101.521   12.934   25.688   5.9874   24.910   8.7360   26.377   8.2224   98.977   19.579  104.065   16.906 -5.087708 25.86824 
1 1 1    9    4   49 o   69.922   13.796   12.511   4.6829   13.439   6.2749   11.345   7.0355   72.653   18.447   67.190   20.520 5.463257 27.59255 
1 1 1    9    4   50 o   63.240   14.341   9.6420   4.8100   11.631   7.1422   7.9912   6.5067   68.004   20.654   58.476   19.900 9.528065 28.68126 
1 1 1    9    4   51 o  133.956   11.014   42.282   6.7809   54.101   10.717   34.391   8.7566  149.132   15.377  118.780   15.774 30.35168 22.02875 
1 1 1    9    4   52 o  159.152   10.326   61.835   7.5434   48.398   10.570   75.781   10.768  140.797   16.064  177.508   12.980 -36.71054 20.65282 
1 1 1    9    4   53 o  131.417   15.062   40.275   7.7792   52.640   16.328   36.644   8.8479  140.249   25.864  122.586   15.444 17.66297 30.12456 
1 1 1    9    4   54 o   90.978   17.061   23.560   7.7986   30.559   10.121   13.333   12.235  108.216   20.767   73.740   27.076 34.47646 34.12292 
1 1 1    9    4   55 o  110.519   24.907   33.409   12.557   33.409   12.557   0.0000   0.0000  110.519   24.907  ?   ?       ?      ? 
1 1 1    9    4   56 o   64.787   17.910   7.8496   7.9373   3.4204   10.478   13.814   12.159   55.895   23.538   73.678   27.001 -17.78267 35.82011 
1 1 1    9    4   57 o   69.108   16.595   11.136   5.9905   8.5304   7.1434   17.310   10.997   59.156   20.817   79.060   25.849 -19.90366 33.18929 
1 1 1    9    4   58 o  138.617   12.042   46.918   7.6737   39.800   9.8442   57.943   12.251  125.807   16.743  151.428   17.311 -25.62110 24.08314 
1 1 1    9    4   59 o  167.344   23.171   88.217   17.468   89.208   25.041   87.279   24.380  167.831   33.102  166.858   32.432 0.9731903 46.34192 
1 1 1    9    4   60 o   68.149   16.239   3.1327   6.2773  -4.6478   7.1271   30.047   13.256   36.942   17.160   99.356   27.574 -62.41366 32.47800 
1 1 1    9    4   61 f   51.579   13.786   2.9354   5.8386 -13.7803   9.8114   12.100   7.2649   36.863   17.925   66.294   20.950 -29.43048 27.57154 
1 1 1    9    4   62 o   45.521   14.319  -3.0927   5.2990  -6.7456   6.0694   8.6192   10.868   30.966   14.813   60.076   24.509 -29.11001 28.63722 
1 1 1    9    4   63 o   73.572   15.447   17.809   6.2103   21.538   7.0770   5.3217   12.951   88.955   17.646   58.189   25.358 30.76612 30.89355 
1 1 1    9    4   64 o   72.447   16.092   14.243   8.1804   30.934   10.982  -6.5629   12.261   99.473   23.917   45.421   21.535 54.05151 32.18364 
1 1 1    9    4   65 f   54.650   14.629   8.4458   5.7746   12.428   6.6391  -3.9288   11.703   63.973   20.000   45.327   21.354 18.64565 29.25719 
1 1 1    9    4   66 o   43.976   14.104   1.3877   5.6037   2.5789   6.2899  -3.1956   12.338   41.992   17.980   45.960   21.735 -3.968025 28.20795 
1 1 1    9    4   67 o   85.790   16.444   26.701   9.8480   50.239   13.045  -4.4958   15.017  123.551   23.449   48.030   23.061 75.52081 32.88866 
1 1 1    9    4   68 f   42.640   14.530  -5.0607   8.6153  -5.9875   12.305  -4.1694   12.067   42.234   20.426   43.046   20.669 -0.8122673 29.05938 
1 1 1    9    5    0 o  220.257   10.460  115.056   15.070  115.056   15.070  115.056   15.070  220.257   14.793  220.257   14.793 -0.000000 0.000000 
1 1 1    9    5    1 o  671.031   32.252  1070.90   99.522  1144.03  157.346  1022.14  128.489  688.542   48.897  653.520   42.069 35.02191 64.50372 
1 1 1    9    5    2 o  577.781   25.629  794.688   69.119  839.279   97.755  750.107   97.744  594.292   35.196  561.270   37.263 33.02203 51.25704 
1 1 1    9    5    3 o  287.804   12.075  195.338   16.030  187.673   24.476  201.096   21.212  282.733   18.523  292.875   15.497 -10.14182 24.15097 
1 1 1    9    5    4 o  497.900   19.097  581.810   44.083  610.152   67.339  560.555   58.316  508.201   28.352  487.600   25.590 20.60016 38.19321 
1 1 1    9    5    5 o  479.872   19.842  544.835   43.997  550.304   58.203  537.544   67.206  483.086   25.780  476.658   30.169 6.428650 39.68318 
1 1 1    9    5    6 o  101.813   6.8112   24.614   3.1776   26.488   4.2040   22.116   4.8531  106.416   8.4529   97.209   10.682 9.207527 13.62230 
1 1 1    9    5    7 o  406.321   21.826  391.833   41.282  431.807   58.396  351.900   58.366  427.359   29.238  385.282   32.415 42.07730 43.65285 
1 1 1    9    5    8 o  590.489   27.429  814.749   74.659  935.231  118.076  734.494   96.369  625.610   40.385  555.369   37.129 70.24121 54.85869 
1 1 1    9    5    9 o  659.969   31.153  1024.22   94.773  1173.95  149.870  924.440  122.340  698.604   45.903  621.334   42.131 77.27026 62.30629 
1 1 1    9    5   10 o  679.425   32.905  1104.11  102.645  1151.06  162.307  1072.82  132.507  689.665   50.357  669.186   42.369 20.47925 65.80975 
1 1 1    9    5   11 o  227.331   12.089  120.243   12.624  126.652   19.992  115.993   16.281  232.251   18.419  222.410   15.663 9.840607 24.17819 
1 1 1    9    5   12 o  904.910   45.827  2050.15  188.312  1923.35  297.749  2134.68  243.109  874.562   72.848  935.258   55.620 -60.69604 91.65336 
1 1 1    9    5   13 o  255.972   13.468  154.778   15.732  149.764   24.897  158.110   20.298  252.350   21.111  259.595   16.731 -7.245636 26.93692 
1 1 1    9    5   14 o  340.817   17.352  274.589   27.025  269.898   42.770  277.706   34.867  338.068   27.070  343.566   21.715 -5.498169 34.70345 
1 1 1    9    5   15 f  369.647   17.338  314.972   29.537  365.269   46.762  281.583   38.100  393.541   25.425  345.753   23.579 47.78745 34.67533 
1 1 1    9    5   16 o  143.062   9.5661   49.874   6.0984   40.393   9.6594   56.157   7.8637  131.237   15.749  154.888   10.863 -23.65080 19.13226 
1 1 1    9    5   17 o  198.694   14.791   99.139   11.516   81.280   22.831  105.232   13.336  185.482   26.338  211.906   13.466 -26.42377 29.58132 
1 1 1    9    5   18 o  538.459   35.441  732.421   82.125  640.752  142.151  778.346  100.615  507.191   59.970  569.728   37.788 -62.53735 70.88258 
1 1 1    9    5   19 o  225.519   19.264  120.692   20.289  115.817   28.751  125.527   28.634  220.906   27.849  230.133   26.623 -9.226730 38.52739 
1 1 1    9    5   20 o  130.850   20.979   40.373   12.829   0.0000   0.0000   40.373   12.829  ?   ?   130.850   20.979      ?      ? 
1 1 1    9    5   21 o  324.121   36.821  252.492   55.775   0.0000   0.0000  252.492   55.775  ?   ?   324.121   36.821      ?      ? 
1 1 1    9    5   22 o  338.495   38.641  276.614   61.128   0.0000   0.0000  276.614   61.128  ?   ?   338.495   38.641      ?      ? 
1 1 1    9    5   23 o  200.313   18.352   95.179   17.176   92.412   23.989   98.090   24.604  197.320   26.013  203.306   25.895 -5.985901 36.70470 
1 1 1    9    5   24 o  276.578   23.861  184.890   30.492  215.045   42.985  154.346   43.261  300.081   30.650  253.076   36.577 47.00481 47.72130 
1 1 1    9    5   25 o   98.267   16.834   24.090   8.2580   34.307   11.154   11.696   12.285  120.589   19.791   75.944   27.238 44.64529 33.66880 
1 1 1    9    5   26 o  295.642   25.929  235.197   30.382  271.947   37.232  161.950   52.563  338.602   23.528  252.682   46.214 85.91953 51.85831 
1 1 1    9    5   27 o  605.430   28.150  874.397   78.562  775.957  101.386  1022.33  124.286  564.643   38.420  646.217   41.153 -81.57379 56.29982 
1 1 1    9    5   28 o  282.250   15.193  193.235   19.315  209.590   24.913  168.589   30.582  298.151   17.879  266.350   24.568 31.80038 30.38519 
1 1 1    9    5   29 o  164.928   12.242   64.433   9.3957   57.932   13.341   70.831   13.234  156.554   18.235  173.301   16.340 -16.74776 24.48474 
1 1 1    9    5   30 o   62.186   13.463   8.8619   4.5174   13.106   6.3678   4.5619   6.4094   72.951   18.616   51.421   19.454 21.53002 26.92594 
1 1 1    9    5   31 o  117.192   11.575   32.606   6.3188   30.689   9.1280   34.371   8.7558  113.799   17.163  120.584   15.537 -6.784355 23.15096 
1 1 1    9    5   32 o   36.895   11.092   0.1084   3.3071   0.2005   4.3410  -0.0189   5.1055   35.645   15.088   38.144   16.262 -2.498562 22.18327 
1 1 1    9    5   33 o   97.486   11.389   23.504   4.8676   25.757   6.2927   20.146   7.6805  104.545   12.879   90.426   18.788 14.11929 22.77843 
1 1 1    9    5   34 o  229.802   14.109  126.085   15.151  128.805   21.508  123.405   21.346  232.297   19.811  227.307   20.093 4.990555 28.21749 
1 1 1    9    5   35 o   46.467   13.861   1.3382   4.5584  -0.5590   9.4058   1.9205   5.2113   50.646   21.841   42.288   17.074 8.357563 27.72226 
1 1 1    9    5   36 o  218.330   13.834  114.833   14.009  131.151   19.859   98.670   19.764  234.233   18.142  202.428   20.892 31.80544 27.66898 
1 1 1    9    5   37 o   85.372   14.196   19.965   5.7668   25.588   7.1323   9.3484   9.8001  103.778   14.706   66.966   24.286 36.81111 28.39141 
1 1 1    9    5   38 o   77.349   14.548   14.297   5.1119   12.878   6.2354   17.205   8.9271   71.924   18.458   82.774   22.491 -10.84958 29.09513 
1 1 1    9    5   39 o  171.410   13.470   69.718   10.791   69.718   10.791   0.0000   0.0000  171.410   13.470  ?   ?       ?      ? 
1 1 1    9    5   40 o  251.275   21.913  154.018   25.733  154.018   25.733   0.0000   0.0000  251.275   21.913  ?   ?       ?      ? 
1 1 1    9    5   41 o  130.119   14.468   43.306   7.8804   37.452   13.565   46.288   9.6817  121.023   24.816  139.214   14.881 -18.19061 28.93559 
1 1 1    9    5   42 f  131.595   10.974   41.524   6.7396   44.645   9.6947   38.605   9.3758  136.446   15.203  126.745   15.828 9.701286 21.94707 
1 1 1    9    5   43 o  110.043   11.393   29.191   5.8571   29.950   8.4170   28.479   8.1555  111.418   16.164  108.668   16.058 2.749512 22.78516 
1 1 1    9    5   44 o  103.964   10.966   25.940   5.2851   25.753   7.0343   26.183   8.0086  103.709   14.513  104.218   16.443 -0.5089340 21.93163 
1 1 1    9    5   45 o  265.711   16.181  175.883   20.081  169.539   28.447  182.184   28.350  260.590   23.358  270.832   22.398 -10.24258 32.36161 
1 1 1    9    5   46 o   66.976   10.529   9.9955   4.4596  -5.4126   6.5470   23.333   6.0912   35.263   16.403   98.688   13.207 -63.42508 21.05868 
1 1 1    9    5   47 o   58.410   13.929   7.7832   4.6061   10.677   6.6539   5.1203   6.3826   65.272   19.959   51.548   19.435 13.72418 27.85818 
1 1 1    9    5   48 o  100.139   12.708   24.709   5.6680   36.828   8.5288   15.122   7.5854  123.564   14.769   76.715   20.685 46.84980 25.41637 
1 1 1    9    5   49 o  102.507   14.447   27.019   6.2012   27.790   7.3986   25.196   11.369  107.343   14.748   97.672   24.848 9.671089 28.89471 
1 1 1    9    5   50 o  116.780   14.716   33.726   6.9619   32.875   8.1342   36.055   13.461  116.691   14.915  116.869   25.373 -0.1781082 29.43264 
1 1 1    9    5   51 o  100.605   15.571   27.529   6.5784   29.351   7.7316   22.750   12.521  109.837   15.062   91.372   27.257 18.46497 31.14117 
1 1 1    9    5   52 o  159.903   14.659   63.386   9.5883   62.594   11.146   65.641   18.804  160.669   14.844  159.137   25.283 1.532990 29.31850 
1 1 1    9    5   53 o  107.032   21.609   29.990   10.437   29.990   10.437   0.0000   0.0000  107.032   21.609  ?   ?       ?      ? 
1 1 1    9    5   54 o  125.585   29.423   44.865   16.967   44.865   16.967   0.0000   0.0000  125.585   29.423  ?   ?       ?      ? 
1 1 1    9    5   55 o   94.054   21.455   25.376   10.239   25.809   12.058   24.256   19.387   96.160   26.143   91.948   34.027 4.211388 42.91014 
1 1 1    9    5   56 o   80.495   16.894   17.681   6.8398   19.918   9.8460   15.595   9.5087   85.092   23.818   75.897   23.966 9.194679 33.78821 
1 1 1    9    5   57 o  123.657   12.618   37.449   7.1242   33.121   8.9865   44.771   11.688  114.927   16.731  132.386   18.891 -17.45950 25.23516 
1 1 1    9    5   58 o   54.898   14.246   5.3158   5.2054  -0.4116   7.0649   12.117   7.6989   42.360   18.587   67.437   21.594 -25.07638 28.49159 
1 1 1    9    5   59 o   81.722   14.450   16.939   5.6281   10.315   7.1580   27.665   9.1085   62.342   20.874  101.102   19.986 -38.75911 28.89906 
1 1 1    9    5   60 o   92.647   14.321   23.587   5.9751   24.583   7.8733   22.233   9.1755   96.290   18.162   89.004   22.148 7.285904 28.64202 
1 1 1    9    5   61 o   55.002   14.110   6.3899   5.2655   12.522   7.1703  -0.7880   7.7574   67.083   20.754   42.921   19.123 24.16251 28.22055 
1 1 1    9    5   62 f   58.960   16.667   8.0406   6.6021   12.067   11.502   6.0621   8.0626   65.142   25.673   52.779   21.262 12.36325 33.33489 
1 1 1    9    5   63 f   61.114   15.050   10.126   5.3627   13.333   7.8067   7.2614   7.3794   67.766   21.749   54.462   20.809 13.30421 30.10062 
1 1 1    9    5   64 o   47.966   15.409  -1.3942   7.8790   5.9705   10.846  -9.6228   11.465   54.441   23.465   41.491   19.979 12.95053 30.81894 
1 1 1    9    5   65 o   36.345   11.923  -2.8206   4.8319  -2.3761   6.5380  -3.3556   7.1727   36.059   16.639   36.630   17.082 -0.5710831 23.84665 
1 1 1    9    5   66 o   50.382   14.163   5.8290   5.2632   0.9971   7.2483   11.218   7.6548   41.457   18.476   59.307   21.471 -17.85039 28.32625 
1 1 1    9    5   67 o   41.141   18.275   1.3389   7.0308   0.0000   0.0000   1.3389   7.0308  ?   ?    41.141   18.275      ?      ? 
1 1 1    9    6    0 o  380.163   17.100  343.134   42.567  343.134   42.567  343.134   42.567  380.163   24.183  380.163   24.183 -0.000000 0.000000 
1 1 1    9    6    1 o  708.562   32.531  1200.01  105.810  1168.87  136.605  1246.70  167.289  698.885   41.823  718.239   49.838 -19.35455 65.06129 
1 1 1    9    6    2 o  1077.54   54.972  2990.58  267.180  3191.11  344.952  2689.88  422.406  1136.01   64.973  1019.07   88.692 116.9418 109.9447 
1 1 1    9    6    3 o  324.980   14.357  248.935   21.701  277.277   30.719  220.704   30.659  343.602   19.130  306.358   21.414 37.24457 28.71396 
1 1 1    9    6    4 o  875.202   43.765  1867.99  175.985  1976.45  278.281  1795.72  227.182  892.623   66.707  857.780   56.670 34.84283 87.52925 
1 1 1    9    6    5 o  407.998   18.348  390.141   34.371  405.637   54.361  379.821   44.365  414.384   28.070  401.612   23.637 12.77127 36.69633 
1 1 1    9    6    6 o  905.994   50.835  2057.74  214.906  2182.08  303.920  1933.39  303.926  935.362   69.524  876.627   74.184 58.73596 101.6706 
1 1 1    9    6    7 o  481.636   28.853  530.692   62.241  639.220  107.861  476.514   76.209  515.839   44.741  447.434   36.445 68.40512 57.70623 
1 1 1    9    6    8 o  545.035   24.579  714.379   60.892  666.802   96.282  746.095   78.610  528.555   38.977  561.515   29.955 -32.95923 49.15828 
1 1 1    9    6    9 o  355.037   17.734  296.619   28.852  300.039   45.621  294.340   37.246  356.436   27.387  353.637   22.536 2.798981 35.46731 
1 1 1    9    6   10 o  777.717   37.976  1473.54  135.030  1462.62  213.506  1480.81  174.320  772.008   59.176  783.425   47.611 -11.41736 75.95123 
1 1 1    9    6   11 o  881.608   42.503  1907.28  171.573  1929.17  271.287  1892.69  221.497  881.435   65.856  881.781   53.748 -0.3456421 85.00513 
1 1 1    9    6   12 o  752.374   37.682  1377.79  129.671  1373.36  205.037  1380.73  167.400  748.239   58.634  756.508   47.348 -8.269470 75.36406 
1 1 1    9    6   13 o  537.703   25.438  684.258   62.780  709.089   99.291  667.719   81.034  544.924   38.988  530.482   32.685 14.44165 50.87643 
1 1 1    9    6   14 o  546.938   27.376  725.747   67.848  661.449  107.285  768.602   87.587  524.814   43.741  569.062   32.933 -44.24774 54.75297 
1 1 1    9    6   15 o  666.422   33.279  1080.09  101.049  1034.43  159.768  1110.53  130.457  652.010   52.432  680.833   41.000 -28.82330 66.55882 
1 1 1    9    6   16 o  1085.11   98.154  3728.97  379.695  3116.94  759.344  3933.02  438.443  930.458  181.138  1239.77   75.671 -309.3127 196.3087 
1 1 1    9    6   17 o  342.432   24.019  304.553   31.570  235.352   63.030  327.729   36.476  311.904   43.240  372.961   20.927 -61.05707 48.03739 
1 1 1    9    6   18 o  512.557   40.858  656.039   97.750  691.795  138.260  620.303  138.220  527.474   56.086  497.639   59.431 29.83530 81.71677 
1 1 1    9    6   19 o  401.777   26.884  390.178   47.420  393.687   58.107  383.180   82.053  406.550   30.582  397.004   44.224 9.546326 53.76842 
1 1 1    9    6   20 o  134.152   12.781   42.463   7.5439   42.702   9.2431   41.987   13.056  134.876   14.664  133.429   20.937 1.446884 25.56128 
1 1 1    9    6   21 o  472.449   26.022  537.421   57.429  555.887   81.188  518.929   81.245  480.823   36.130  464.076   37.460 16.74789 52.04401 
1 1 1    9    6   22 o  484.593   29.387  543.744   63.781  482.595   78.023  666.919  110.736  447.281   37.325  521.904   45.400 -74.62320 58.77342 
1 1 1    9    6   23 o  653.213   55.351  1166.47  154.912  775.915  218.940  1558.01  219.217  522.007   93.162  784.420   59.798 -262.4132 110.7016 
1 1 1    9    6   24 o  276.473   32.440  183.180   41.916   0.0000   0.0000  183.180   41.916  ?   ?   276.473   32.440      ?      ? 
1 1 1    9    6   25 o  201.284   19.623   99.603   17.361   70.765   24.412  129.114   24.695  169.108   32.062  233.461   22.634 -64.35295 39.24652 
1 1 1    9    6   26 o  137.664   12.754   42.113   7.6508   38.058   9.1021   51.874   14.123  127.200   15.311  148.128   20.401 -20.92760 25.50770 
1 1 1    9    6   27 o  318.564   22.997  243.594   32.259  242.614   39.505  245.556   55.883  319.132   26.488  317.997   37.602 1.134888 45.99460 
1 1 1    9    6   28 o  230.724   20.674  127.936   22.263  121.203   31.613  134.561   31.357  224.504   30.130  236.943   28.317 -12.43883 41.34821 
1 1 1    9    6   29 o  224.193   17.684  120.936   17.367  121.706   21.217  119.371   30.233  226.306   20.060  222.081   29.129 4.225037 35.36798 
1 1 1    9    6   30 o  360.203   20.735  316.054   34.788  345.260   49.245  286.960   49.150  377.505   27.913  342.901   30.670 34.60394 41.46995 
1 1 1    9    6   31 o  192.443   12.553   87.883   11.289   87.313   16.018   88.445   15.913  191.804   17.869  193.082   17.634 -1.277802 25.10530 
1 1 1    9    6   32 o  135.975   10.596   45.189   6.4272   49.883   8.2394   37.894   10.272  145.568   12.111  126.381   17.391 19.18736 21.19269 
1 1 1    9    6   33 o  179.639   11.122   76.984   9.0880   79.107   11.685   73.734   14.458  183.085   13.656  176.192   17.558 6.892609 22.24371 
1 1 1    9    6   34 o  274.572   15.291  184.897   18.937  199.073   24.431  163.562   29.972  289.140   18.080  260.004   24.666 29.13547 30.58216 
1 1 1    9    6   35 o  459.503   25.105  541.991   52.173  572.289   67.358  496.553   82.488  480.857   29.973  438.150   40.283 42.70752 50.21080 
1 1 1    9    6   36 o  284.796   16.935  197.727   22.536  201.828   31.867  193.624   31.876  287.880   23.686  281.712   24.211 6.167480 33.87015 
1 1 1    9    6   37 o  243.754   14.207  143.277   16.177  138.882   22.918  147.641   22.838  239.896   20.441  247.613   19.735 -7.716599 28.41329 
1 1 1    9    6   38 o   55.729   18.629   7.0911   5.7007   7.0911   5.7007   0.0000   0.0000   55.729   18.629  ?   ?       ?      ? 
1 1 1    9    6   39 f  212.030   15.373  107.259   15.234  107.259   15.234   0.0000   0.0000  212.030   15.373  ?   ?       ?      ? 
1 1 1    9    6   40 o  132.904   12.443   38.014   7.2843   29.431   8.7102   57.984   13.286  110.745   16.829  155.063   18.333 -44.31831 24.88629 
1 1 1    9    6   41 f  188.357   18.140   85.813   15.969   85.813   15.969   0.0000   0.0000  188.357   18.140  ?   ?       ?      ? 
1 1 1    9    6   42 o  261.758   19.995  176.914   22.815  180.202   27.965  170.370   39.453  269.844   22.175  253.671   33.279 16.17328 39.98989 
1 1 1    9    6   43 o  312.839   23.457  252.733   32.578  238.197   39.904  281.789   56.416  305.028   27.992  320.649   37.647 -15.62039 46.91320 
1 1 1    9    6   44 o   73.858   14.560   13.255   4.8297   12.649   5.6799   14.838   9.1767   70.969   17.285   76.748   23.434 -5.778801 29.11974 
1 1 1    9    6   45 o  163.788   15.223   67.286   11.011   68.951   13.657   64.194   18.610  168.398   17.354  159.177   25.016 9.221191 30.44618 
1 1 1    9    6   46 o  256.247   20.050  166.232   22.932  152.889   28.113  192.762   39.640  244.870   24.566  267.625   31.693 -22.75504 40.09916 
1 1 1    9    6   47 o   47.998   19.158   3.2781   6.4798   3.2781   6.4798   0.0000   0.0000   47.998   19.158  ?   ?       ?      ? 
1 1 1    9    6   48 o   46.907   13.980   1.1623   5.2924   3.8851   6.5291  -4.0543   9.0372   49.321   19.373   44.494   20.161 4.827251 27.96035 
1 1 1    9    6   49 o   91.689   15.686   21.286   6.2889   20.476   7.5760   23.081   11.278   89.886   18.646   93.492   25.228 -3.606453 31.37115 
1 1 1    9    6   50 o  123.281   18.850   42.336   10.993   23.550   16.081   58.812   15.060   93.347   31.287  153.214   21.033 -59.86707 37.69983 
1 1 1    9    6   51 o  164.947   15.467   69.146   11.354   69.566   14.141   68.384   19.044  167.732   18.040  162.162   25.129 5.570160 30.93393 
1 1 1    9    6   52 o  171.626   19.306   90.637   11.814  102.722   13.710   55.795   23.280  206.030   14.239  137.222   35.891 68.80795 38.61250 
1 1 1    9    6   53 o  182.912   16.128   80.803   13.319   64.431   16.472  111.722   22.636  158.303   22.264  207.521   23.340 -49.21738 32.25598 
1 1 1    9    6   54 o   55.370   23.383   2.9215   10.388   2.9215   10.388   0.0000   0.0000   55.370   23.383  ?   ?       ?      ? 
1 1 1    9    6   56 o  129.257   20.105   47.799   11.798   53.047   17.418   43.349   16.038  136.087   28.309  122.427   28.554 13.66015 40.20902 
1 1 1    9    6   57 f   63.073   16.015   9.4478   6.0845   6.4492   8.2748   12.977   8.9776   56.301   21.896   69.846   23.377 -13.54472 32.03023 
1 1 1    9    6   58 o  107.105   13.791   28.015   6.5616   19.528   8.2172   42.950   10.900   84.648   20.897  129.561   18.002 -44.91331 27.58184 
1 1 1    9    6   59 o   99.241   15.099   26.911   6.5854   25.952   8.2360   28.610   10.966   98.639   18.547   99.842   23.831 -1.203506 30.19762 
1 1 1    9    6   60 o   71.408   17.568   13.644   7.0206   17.970   11.474   11.056   8.8760   78.171   26.427   64.645   23.156 13.52535 35.13667 
1 1 1    9    6   61 o   79.505   16.290   18.896   6.7660   24.889   9.2715   12.067   9.8963   93.250   21.685   65.761   24.316 27.48922 32.58046 
1 1 1    9    6   62 o   46.687   14.011   1.4937   5.5536   7.0466   8.0997  -3.4329   7.6293   54.545   21.529   38.829   17.937 15.71630 28.02261 
1 1 1    9    6   63 o  108.206   16.241   32.433   7.7801   24.487   9.6795   46.938   13.077   90.275   22.906  126.138   23.032 -35.86280 32.48277 
1 1 1    9    6   64 o   85.743   16.762   25.870   7.4801   16.412   12.293   31.432   9.4261   68.496   26.674  102.990   20.305 -34.49427 33.52351 
1 1 1    9    6   65 f   72.402   14.273   15.743   5.3286   9.2089   7.1489   23.910   7.9930   55.662   20.650   89.141   19.710 -33.47814 28.54658 
1 1 1    9    6   66 o   33.658   11.212  -4.9590   4.4972  -8.2531   5.8916  -0.3600   6.9613   28.211   13.756   39.105   17.709 -10.89398 22.42398 
1 1 1    9    6   67 o   81.920   16.329   26.345   7.2190   31.111   8.7903   16.470   12.652  100.337   19.448   63.502   26.235 36.83438 32.65706 
1 1 1    9    7    0 o  371.103   16.635  326.902   40.426  326.902   40.426  326.902   40.426  371.103   23.526  371.103   23.526 -0.000000 0.000000 
1 1 1    9    7    1 o  557.110   24.734  745.524   62.688  775.307   80.936  700.865   99.108  572.348   30.258  541.871   39.135 30.47656 49.46816 
1 1 1    9    7    2 o  289.260   14.494  200.100   18.996  212.582   24.518  181.357   30.045  300.976   17.430  277.543   23.163 23.43314 28.98887 
1 1 1    9    7    3 o  406.044   20.919  406.905   37.734  462.943   48.736  323.028   59.625  443.377   23.520  368.711   34.602 74.66656 41.83843 
1 1 1    9    7    4 o  182.441   10.359   76.608   8.7096   70.148   11.244   86.299   13.771  173.025   13.905  191.856   15.359 -18.83115 20.71794 
1 1 1    9    7    5 o  272.532   14.420  176.673   17.880  184.633   23.108  164.799   28.223  280.475   17.629  264.590   22.824 15.88489 28.83959 
1 1 1    9    7    6 o  606.950   48.035  917.827  136.136  875.998  192.519  959.662  192.532  592.204   69.560  621.696   66.265 -29.49182 96.07073 
1 1 1    9    7    7 o  694.328   48.210  1211.03  146.179  1170.70  253.194  1231.19  179.030  677.432   79.973  711.225   53.861 -33.79242 96.41970 
1 1 1    9    7    8 o  1092.44   76.614  3199.00  369.470  3452.46  639.966  3072.29  452.497  1098.75  124.628  1086.13   89.144 12.61633 153.2280 
1 1 1    9    7    9 o  735.101   37.833  1315.18  129.948  1345.62  183.770  1284.74  183.780  743.963   52.854  726.240   54.147 17.72235 75.66689 
1 1 1    9    7   10 o  575.784   30.926  798.299   82.836  712.255  117.126  884.405  117.168  543.800   46.086  607.768   41.250 -63.96881 61.85101 
1 1 1    9    7   11 o  245.043   14.489  141.697   16.503  125.021   23.375  158.268   23.302  230.525   21.697  259.561   19.210 -29.03612 28.97840 
1 1 1    9    7   12 o  864.343   48.180  1864.22  194.384  1763.76  274.891  1964.69  274.910  839.474   70.066  889.211   66.152 -49.73773 96.36063 
1 1 1    9    7   13 o  846.049   45.168  1784.06  176.655  1498.60  249.795  2069.67  249.861  773.843   69.070  918.256   58.223 -144.4129 90.33567 
1 1 1    9    7   14 o  1278.24  136.173  5961.81  693.978  5342.50  1201.95  6271.52  849.966  1088.09  242.552  1468.38  123.857 -380.2828 272.3457 
1 1 1    9    7   15 o  347.229   25.529  306.173   37.537  241.509   64.885  338.702   46.020  316.041   43.929  378.418   26.021 -62.37631 51.05795 
1 1 1    9    7   16 o  244.791   20.867  143.057   23.719  124.955   33.604  161.032   33.485  229.016   31.396  260.566   27.497 -31.54938 41.73494 
1 1 1    9    7   17 o  364.353   29.077  321.616   49.353  292.817   69.794  350.419   69.799  347.439   42.983  381.266   39.172 -33.82669 58.15480 
1 1 1    9    7   18 o  667.769   49.933  1191.24  142.073  1275.60  174.025  1022.64  246.016  719.071   51.784  616.466   85.391 102.6048 99.86585 
1 1 1    9    7   19 o  315.405   17.168  217.731   22.457  199.333   25.835  274.610   45.427  290.951   19.000  339.860   28.600 -48.90918 34.33615 
1 1 1    9    7   20 o  456.499   28.862  501.224   58.128  493.101   71.140  517.545  100.831  453.653   33.554  459.344   46.969 -5.690704 57.72328 
1 1 1    9    7   21 o  433.067   26.021  440.725   45.944  429.094   53.009  475.844   92.110  425.009   26.688  441.125   44.679 -16.11533 52.04266 
1 1 1    9    7   22 f  419.771   27.850  447.388   45.724  467.512   52.765  386.715   91.621  443.944   25.432  395.599   49.556 48.34457 55.70096 
1 1 1    9    7   23 o  337.018   34.915  316.999   46.089  371.565   56.368  206.933   80.056  394.279   30.590  279.758   62.774 114.5203 69.83062 
1 1 1    9    7   24 o  572.550   43.810  842.757  109.966  838.872  134.634  850.542  190.598  580.182   49.653  564.919   72.192 15.26306 87.61935 
1 1 1    9    7   25 o   95.419   15.257   24.817   6.0203   27.870   6.9091   15.187   12.270  108.929   13.572   81.909   27.330 27.01978 30.51435 
1 1 1    9    7   26 o  326.337   24.273  271.296   33.528  296.921   40.963  219.281   58.361  353.468   24.797  299.207   41.736 54.26166 48.54650 
1 1 1    9    7   27 o  250.055   19.774  153.640   21.346  160.900   26.049  138.802   37.241  260.531   21.394  239.578   33.261 20.95338 39.54734 
1 1 1    9    7   28 o  130.585   16.993   41.339   10.036   30.942   13.684   53.442   14.764  111.303   26.658  149.866   21.080 -38.56344 33.98513 
1 1 1    9    7   29 o  237.993   22.216  140.124   24.264  167.465   34.072  111.989   34.564  263.008   27.719  212.979   34.725 50.02925 44.43159 
1 1 1    9    7   30 o  132.268   14.157   39.954   8.3090   36.532   10.083   47.196   14.668  124.122   17.382  140.414   22.352 -16.29214 28.31465 
1 1 1    9    7   31 f  171.495   17.138   76.342   12.010   84.829   14.725   59.482   20.756  189.219   16.652  153.772   29.959 35.44620 34.27531 
1 1 1    9    7   32 o  273.706   20.143  178.465   24.416  170.127   29.796  195.506   42.596  265.827   23.984  281.584   32.368 -15.75729 40.28550 
1 1 1    9    7   33 o  107.796   15.250   26.555   7.0593   21.987   8.5241   36.529   12.595   94.236   19.975  121.357   23.050 -27.12029 30.50080 
1 1 1    9    7   34 o  271.794   17.014  171.915   18.860  164.787   21.696  193.958   38.153  262.956   17.655  280.633   29.090 -17.67661 34.02850 
1 1 1    9    7   35 o  166.144   13.545   63.842   9.8551   59.708   11.845   73.141   17.765  158.376   16.003  173.912   21.857 -15.53694 27.08940 
1 1 1    9    7   36 o  406.445   26.113  397.586   47.639  324.201   58.275  545.432   82.715  355.795   35.046  457.095   38.720 -101.3007 52.22540 
1 1 1    9    7   37 o   81.734   17.628   16.583   6.5355   16.583   6.5355   0.0000   0.0000   81.734   17.628  ?   ?       ?      ? 
1 1 1    9    7   38 o   61.085   17.943   9.1314   5.4599   9.1314   5.4599   0.0000   0.0000   61.085   17.943  ?   ?       ?      ? 
1 1 1    9    7   39 o   62.017   14.207   9.5489   4.7884   11.968   5.5886   2.8686   9.2866   69.281   17.310   54.752   22.533 14.52850 28.41376 
1 1 1    9    7   40 o  208.930   16.552  107.070   15.095  105.950   18.332  109.427   26.602  209.222   18.748  208.637   27.283 0.5858307 33.10320 
1 1 1    9    7   41 o   94.969   15.066   24.502   6.1521   27.336   7.2818   17.433   11.500  106.858   14.581   83.080   26.369 23.77783 30.13168 
1 1 1    9    7   42 o  313.415   21.144  244.566   29.628  220.530   36.273  292.744   51.354  294.764   26.331  332.066   33.091 -37.30261 42.28852 
1 1 1    9    7   43 o  306.125   16.827  207.994   21.645  178.993   24.948  296.290   43.531  270.687   19.721  341.563   27.270 -70.87585 33.65349 
1 1 1    9    7   44 o  218.985   20.115  133.067   16.126  141.809   18.600  106.612   32.357  242.248   16.429  195.722   36.723 46.52652 40.23015 
1 1 1    9    7   45 o  292.043   20.694  217.738   24.442  211.391   28.208  236.864   48.964  291.836   20.682  292.250   35.850 -0.4140625 41.38756 
1 1 1    9    7   46 o  251.096   18.560  159.344   20.631  152.170   25.238  173.794   35.818  246.355   21.920  255.837   29.956 -9.481903 37.11996 
1 1 1    9    7   47 o  121.728   14.211   33.366   7.5227   24.195   9.1230   52.850   13.297   97.099   20.734  146.358   19.441 -49.25851 28.42263 
1 1 1    9    7   48 f   91.719   15.407   24.509   6.9793   32.389   8.5455   8.7236   12.095  115.612   15.816   67.827   26.446 47.78430 30.81477 
1 1 1    9    7   49 o  171.223   16.800   78.746   10.852   82.832   12.585   66.892   21.433  185.397   14.524  157.049   30.299 28.34813 33.60019 
1 1 1    9    7   50 o  112.064   15.267   35.836   6.8203   40.122   8.0358   24.796   12.897  128.983   13.331   95.146   27.471 33.83721 30.53494 
1 1 1    9    7   51 o   65.364   15.507   10.405   5.2222   10.857   6.0682   9.1163   10.254   65.338   18.837   65.390   24.637 -0.5204010E-01 31.01366 
1 1 1    9    7   52 o  109.958   16.558   31.300   8.0381   28.704   10.120   35.736   13.230  104.824   21.382  115.091   25.287 -10.26743 33.11547 
1 1 1    9    7   53 o   63.505   21.771   9.9312   7.7883   9.9312   7.7883   0.0000   0.0000   63.505   21.771  ?   ?       ?      ? 
1 1 1    9    7   54 o  139.223   17.441   48.370   11.348   48.370   11.348   0.0000   0.0000  139.223   17.441  ?   ?       ?      ? 
1 1 1    9    7   55 o   36.181   17.015  -6.6693   7.3709  -6.6693   7.3709   0.0000   0.0000   36.181   17.015  ?   ?       ?      ? 
1 1 1    9    7   56 o   89.315   16.241   21.709   6.4187   21.591   7.6281   21.994   11.880   90.813   18.599   87.818   26.629 2.995338 32.48149 
1 1 1    9    7   57 o   90.554   17.800   23.697   7.6681   25.099   9.3948   20.900   13.272   96.260   21.434   84.847   28.424 11.41298 35.59954 
1 1 1    9    7   58 o   74.933   16.369   16.630   7.1807   23.061   8.8057   3.8648   12.406   91.611   21.014   58.255   25.103 33.35514 32.73752 
1 1 1    9    7   59 o   51.388   21.034   4.3207   8.0383   4.3207   8.0383   0.0000   0.0000   51.388   21.034  ?   ?       ?      ? 
1 1 1    9    7   60 o   35.413   12.046  -9.9162   5.8226 -10.6518   7.9022  -9.0425   8.6125   33.797   16.352   37.028   17.694 -3.230644 24.09263 
1 1 1    9    7   61 o  115.824   18.423   32.227   9.0250   19.806   10.330   72.295   18.552   79.642   24.955  152.006   27.109 -72.36411 36.84591 
1 1 1    9    7   62 f   60.609   18.405   6.6956   7.1342   5.8753   7.7065   11.611   18.864   52.240   20.878   68.978   30.317 -16.73833 36.81059 
1 1 1    9    7   63 o   39.919   13.062  -3.1588   5.7571  -2.0842   7.7787  -4.4603   8.5611   40.199   18.402   39.640   18.544 0.5590019 26.12478 
1 1 1    9    7   64 o   85.106   14.432   24.124   6.1649   30.796   7.8031   13.042   10.057  106.874   15.622   63.337   24.270 43.53795 28.86356 
1 1 1    9    7   65 o   67.777   14.441   15.150   5.2878   18.731   6.8003   9.6734   8.4095   79.193   18.677   56.361   22.031 22.83160 28.88238 
1 1 1    9    7   66 o   46.326   14.438   0.2582   5.8145  -4.7182   7.0465   10.876   10.293   34.515   16.353   58.136   23.800 -23.62088 28.87659 
1 1 1    9    7   67 o   46.928   14.658   0.3975   7.1609 -12.9726   10.345   12.698   9.9225   35.260   17.399   58.597   23.594 -23.33760 29.31580 
1 1 1    9    8    0 o  515.543   28.097  638.934   94.429  638.934   94.429  638.934   94.429  515.543   39.735  515.543   39.735 -0.000000 0.000000 
1 1 1    9    8    1 o  742.727   34.614  1316.50  118.317  1240.97  152.750  1429.77  187.067  718.118   45.514  767.337   52.164 -49.21979 69.22841 
1 1 1    9    8    2 o  920.809   47.222  2186.37  193.065  2460.29  249.251  1775.53  305.255  1005.93   53.018  835.687   78.159 170.2430 94.44414 
1 1 1    9    8    3 o  266.029   11.975  166.093   14.884  171.018   21.053  161.173   21.044  269.988   16.685  262.070   17.181 7.917938 23.95006 
1 1 1    9    8    4 o  598.319   27.786  830.094   76.545  697.665   98.815  1028.78  121.035  540.463   39.121  656.174   39.468 -115.7117 55.57192 
1 1 1    9    8    5 o  359.735   17.567  302.297   29.057  290.241   37.526  320.348   45.917  351.104   22.869  368.367   26.672 -17.26294 35.13382 
1 1 1    9    8    6 o  580.721   36.653  795.788   94.842  746.033  116.146  895.354  164.301  557.065   44.612  604.378   58.168 -47.31317 73.30653 
1 1 1    9    8    7 o  393.481   29.345  397.502   48.488  445.126   59.400  302.396   83.941  433.768   29.301  353.195   50.853 80.57315 58.69081 
1 1 1    9    8    8 o  351.221   24.807  302.733   37.640  320.472   46.097  267.244   65.203  368.433   26.772  334.010   41.770 34.42365 49.61312 
1 1 1    9    8    9 o  731.701   39.517  1314.70  133.781  1519.61  189.206  1109.83  189.184  791.615   51.142  671.787   60.258 119.8284 79.03464 
1 1 1    9    8   10 o  186.116   11.177   81.214   9.7157   77.314   13.614   85.263   13.869  181.553   16.045  190.679   15.564 -9.125931 22.35342 
1 1 1    9    8   11 f  216.527   16.468  112.714   15.584  103.874   26.800  117.230   19.155  209.644   27.353  223.410   18.346 -13.76506 32.93609 
1 1 1    9    8   12 o  146.169   12.432   51.818   7.9686   45.132   13.392   55.483   9.9149  138.489   20.691  153.850   13.790 -15.36038 24.86472 
1 1 1    9    8   13 o  345.110   24.151  280.762   36.938  295.152   63.867  273.529   45.279  350.590   38.979  339.630   28.527 10.95999 48.30265 
1 1 1    9    8   14 o  219.396   18.843  115.089   19.032   92.383   26.871  137.945   26.960  197.182   29.159  241.609   23.876 -44.42624 37.68678 
1 1 1    9    8   15 o  329.306   26.475  260.933   40.688  276.371   57.519  245.472   57.563  339.348   36.268  319.264   38.579 20.08426 52.94987 
1 1 1    9    8   16 o  258.102   18.910  161.279   21.275  167.803   26.104  148.372   36.716  266.767   20.938  249.436   31.496 17.33125 37.82010 
1 1 1    9    8   17 o  464.103   31.016  513.894   63.900  493.021   78.277  555.593  110.636  452.854   36.986  475.352   49.801 -22.49774 62.03287 
1 1 1    9    8   18 o  298.651   16.260  210.930   22.681  219.051   32.046  202.779   32.106  304.483   22.520  292.818   23.461 11.66467 32.52020 
1 1 1    9    8   19 f  841.407   58.420  1881.33  216.813  1815.99  265.517  2012.07  375.599  838.503   67.756  844.311   95.187 -5.808350 116.8395 
1 1 1    9    8   20 o  352.965   25.511  319.541   34.849  338.040   40.186  263.440   69.981  378.066   22.744  327.864   45.671 50.20139 51.02111 
1 1 1    9    8   21 o  373.564   22.662  327.512   34.416  320.944   39.692  347.406   69.081  368.298   23.060  378.830   39.019 -10.53226 45.32363 
1 1 1    9    8   22 o  320.473   22.745  254.911   28.744  263.340   33.143  229.334   57.735  333.822   21.244  307.123   40.224 26.69855 45.48936 
1 1 1    9    8   23 o  353.844   26.760  322.265   39.966  355.253   48.896  255.862   69.374  386.042   27.102  321.646   46.150 64.39612 53.51958 
1 1 1    9    8   24 o  299.203   24.601  216.314   34.399  215.771   48.399  216.867   48.899  298.864   34.651  299.543   34.930 -0.6790466 49.20175 
1 1 1    9    8   25 o  383.063   25.824  353.497   43.606  349.203   53.374  362.118   75.620  381.845   29.909  384.281   42.106 -2.436279 51.64745 
1 1 1    9    8   26 o  410.445   33.244  455.544   56.349  517.163   69.015  332.321   97.595  462.908   31.901  357.981   58.335 104.9269 66.48756 
1 1 1    9    8   27 o   72.110   14.990   12.124   4.4927   12.209   4.9305   11.709   10.906   70.590   15.380   73.629   25.733 -3.038971 29.97930 
1 1 1    9    8   28 o  239.563   15.494  129.886   16.458  115.841   19.895  160.331   29.291  220.731   19.286  258.395   24.256 -37.66373 30.98858 
1 1 1    9    8   29 o  231.028   16.784  130.403   16.712  134.361   20.270  122.004   29.530  237.866   18.234  224.190   28.184 13.67615 33.56826 
1 1 1    9    8   30 o  331.028   32.962  296.513   45.845  417.678   64.848  175.446   64.822  411.213   33.743  250.844   56.634 160.3693 65.92466 
1 1 1    9    8   31 o  247.376   21.440  149.888   24.786  149.289   34.887  150.498   35.221  246.910   30.233  247.842   30.407 -0.9321289 42.87958 
1 1 1    9    8   32 o  117.056   14.155   28.867   7.1263   18.371   8.5743   52.313   12.815   85.910   21.428  148.202   18.502 -62.29148 28.30997 
1 1 1    9    8   33 o  310.971   27.360  249.584   38.855  306.195   55.022  193.271   54.877  349.785   33.658  272.158   43.145 77.62686 54.72068 
1 1 1    9    8   34 o   93.993   15.681   23.658   6.4686   26.587   7.6136   16.054   12.265  105.773   15.402   82.212   27.319 23.56093 31.36173 
1 1 1    9    8   35 o  357.544   34.002  373.681   48.400  416.172   59.236  288.337   83.949  406.933   31.147  308.156   60.451 98.77753 68.00339 
1 1 1    9    8   36 o  286.856   35.676  211.712   47.828  211.712   47.828   0.0000   0.0000  286.856   35.676  ?   ?       ?      ? 
1 1 1    9    8   37 o  355.413   29.911  317.685   49.683  317.685   49.683   0.0000   0.0000  355.413   29.911  ?   ?       ?      ? 
1 1 1    9    8   38 o  274.655   23.616  185.242   30.314  185.242   30.314   0.0000   0.0000  274.655   23.616  ?   ?       ?      ? 
1 1 1    9    8   39 o  113.042   14.745   30.311   6.9211   28.487   8.1434   35.054   13.135  109.046   15.979  117.038   24.785 -7.992012 29.48920 
1 1 1    9    8   40 o   42.408   13.573  -4.2160   5.6791  -5.8467   7.3854  -1.8566   8.8836   37.827   17.536   46.989   20.723 -9.162289 27.14658 
1 1 1    9    8   41 o  244.016   18.690  148.672   20.116  143.674   24.563  158.851   35.050  240.983   21.810  247.049   30.358 -6.065674 37.38007 
1 1 1    9    8   42 o  138.337   18.991   50.658   11.878   33.572   16.949   67.146   16.650  111.653   31.249  165.021   21.589 -53.36885 37.98147 
1 1 1    9    8   43 o  126.923   16.308   43.227   8.5204   47.347   10.302   34.307   15.158  140.261   15.716  113.584   28.579 26.67705 32.61539 
1 1 1    9    8   44 o  124.390   16.117   43.087   7.4513   46.284   8.5113   32.596   15.418  139.093   13.093  109.686   29.455 29.40666 32.23396 
1 1 1    9    8   45 o  132.284   16.840   52.901   8.2567   60.309   9.5522   31.010   16.420  158.658   12.882  105.911   31.118 52.74683 33.67903 
1 1 1    9    8   46 o  333.254   19.839  254.518   27.904  212.455   32.197  381.475   55.936  289.636   23.786  376.871   31.758 -87.23495 39.67815 
1 1 1    9    8   47 o  205.866   21.763  124.052   17.685  144.308   21.769   84.734   30.330  241.926   19.254  169.807   39.035 72.11928 43.52527 
1 1 1    9    8   48 o  208.298   15.864  101.148   14.879   79.870   18.331  142.243   25.475  178.752   21.943  237.844   22.918 -59.09219 31.72896 
1 1 1    9    8   49 o   54.335   13.922   1.8814   5.4195  -7.0245   7.1718   13.737   8.2746   35.595   16.753   73.075   22.240 -37.47983 27.84350 
1 1 1    9    8   50 o  163.228   13.786   63.543   9.4367   60.008   11.012   73.316   18.308  157.158   14.993  169.299   23.139 -12.14128 27.57191 
1 1 1    9    8   51 o  138.931   16.025   50.445   9.4864   52.053   11.722   47.392   16.150  145.477   17.240  132.385   27.018 13.09178 32.05026 
1 1 1    9    8   52 o   67.244   17.033   9.4723   7.7647  -2.7975   12.132   17.985   10.106   52.694   23.664   81.793   24.507 -29.09838 34.06688 
1 1 1    9    8   53 o  121.669   27.706   41.504   15.401   41.504   15.401   0.0000   0.0000  121.669   27.706  ?   ?       ?      ? 
1 1 1    9    8   54 o   61.496   23.718   7.9648   9.6466   7.9648   9.6466   0.0000   0.0000   61.496   23.718  ?   ?       ?      ? 
1 1 1    9    8   55 o   91.021   16.975   24.191   7.5361   29.049   9.5108   15.995   12.353  104.977   20.118   77.064   27.348 27.91317 33.95050 
1 1 1    9    8   56 o   68.209   16.568   12.380   6.8537   16.741   8.3439   3.3352   12.017   78.389   21.920   58.029   24.849 20.36018 33.13581 
1 1 1    9    8   57 o   59.944   14.190  -1.0600   5.2186  -8.7591   5.9880   23.259   10.642   29.440   14.241   90.448   24.548 -61.00814 28.38018 
1 1 1    9    8   58 o   47.538   15.128  -1.8140   7.1237   0.8885   9.7434  -4.9177   10.442   49.821   21.845   45.256   20.934 4.565254 30.25628 
1 1 1    9    8   59 o   45.503   14.589  -2.5222   6.6793  -1.3581   9.8904  -3.4983   9.0566   47.601   21.372   43.405   19.865 4.196243 29.17805 
1 1 1    9    8   60 o   82.531   19.293   21.389   9.3303   11.745   13.639   29.872   12.791   67.459   27.481   97.603   27.087 -30.14362 38.58649 
1 1 1    9    8   61 o   94.318   17.602   25.307   7.8939   16.609   9.8088   41.294   13.299   73.189   24.436  115.448   25.343 -42.25819 35.20494 
1 1 1    9    8   62 o   85.626   15.785   21.864   6.7080   13.938   9.3864   30.138   9.5900   68.331   23.874  102.920   20.656 -34.58820 31.56917 
1 1 1    9    8   63 o   67.717   14.917   13.526   6.4738   24.190   8.7387   0.5538   9.6381   89.129   21.274   46.304   20.915 42.82481 29.83335 
1 1 1    9    8   64 o   66.889   16.484   14.614   6.2977   12.106   8.3234   17.973   9.6318   61.565   22.373   72.213   24.214 -10.64762 32.96779 
1 1 1    9    8   65 o   56.352   15.668   9.0890   5.9581   6.1906   7.6321   13.612   9.5337   49.746   20.444   62.959   23.749 -13.21268 31.33637 
1 1 1    9    8   66 o   49.978   15.189   4.9005   6.9576  -4.1249   10.929   11.050   9.0218   42.372   20.160   57.585   22.724 -15.21323 30.37775 
1 1 1    9    9    0 o  170.173   11.323   69.571   12.476   69.571   12.476   69.571   12.476  170.173   16.013  170.173   16.013 -0.000000 0.000000 
1 1 1    9    9    1 o  190.372   10.508   82.657   9.2171  100.227   14.576   70.949   11.898  206.765   15.084  173.979   14.633 32.78554 21.01529 
1 1 1    9    9    2 o  643.674   27.873  991.384   83.627  909.881  118.257  1072.91  118.276  616.578   41.039  670.770   37.729 -54.19287 55.74675 
1 1 1    9    9    3 o  266.626   12.513  166.937   15.582  173.760   22.036  160.114   22.037  272.102   17.328  261.150   18.056 10.95151 25.02564 
1 1 1    9    9    4 o  392.909   16.989  363.873   31.179  377.722   44.104  350.036   44.084  400.446   23.567  385.371   24.477 15.07547 33.97815 
1 1 1    9    9    5 o  308.931   15.861  223.238   22.490  231.993   35.607  217.427   29.009  313.746   24.283  304.116   20.411 9.629272 31.72193 
1 1 1    9    9    6 o  261.525   13.253  161.819   15.798  155.140   25.020  166.248   20.373  256.846   20.843  266.205   16.375 -9.359283 26.50661 
1 1 1    9    9    7 o  122.532   9.3515   35.123   5.3507   33.846   7.3871   36.532   7.7609  120.194   13.151  124.869   13.299 -4.674614 18.70291 
1 1 1    9    9    8 o  119.549   15.459   40.359   7.3523   48.593   8.8292   21.734   13.279  144.011   13.118   95.086   27.997 48.92555 30.91768 
1 1 1    9    9    9 o  300.646   34.042  215.296   47.831  215.296   47.831   0.0000   0.0000  300.646   34.042  ?   ?       ?      ? 
1 1 1    9    9   10 o  364.470   40.736  319.692   69.388  319.692   69.388   0.0000   0.0000  364.470   40.736  ?   ?       ?      ? 
1 1 1    9    9   11 o  215.432   26.014  109.873   26.192  109.873   26.192   0.0000   0.0000  215.432   26.014  ?   ?       ?      ? 
1 1 1    9    9   12 f  338.636   26.990  275.872   42.715  274.390   60.388  277.356   60.427  337.702   38.263  339.570   38.077 -1.867615 53.98025 
1 1 1    9    9   13 o  195.715   14.119   87.659   12.379   81.731   15.232   99.194   21.246  186.433   17.482  204.996   22.177 -18.56335 28.23850 
1 1 1    9    9   14 o  265.842   18.960  166.764   22.282  165.021   27.332  170.219   38.474  264.405   22.119  267.278   30.800 -2.873383 37.91967 
1 1 1    9    9   15 o  254.231   17.613  151.642   19.837  148.775   24.336  157.320   34.245  251.187   20.730  257.275   28.481 -6.088165 35.22644 
1 1 1    9    9   16 o  359.264   19.354  307.195   32.378  277.124   45.734  337.411   45.845  341.318   28.671  377.210   26.005 -35.89185 38.70762 
1 1 1    9    9   17 o  392.534   20.522  366.983   37.646  364.184   53.216  369.787   53.263  391.011   29.122  394.058   28.922 -3.047302 41.04306 
1 1 1    9    9   18 o  468.842   25.835  529.660   56.608  528.995   80.040  530.325   80.072  468.542   36.552  469.143   36.520 -0.6011658 51.67002 
1 1 1    9    9   19 o  168.458   13.325   63.528   9.8660   57.730   11.841   76.689   17.841  156.700   16.169  180.215   21.183 -23.51491 26.64913 
1 1 1    9    9   20 o  401.053   25.557  359.851   42.648  329.604   49.194  451.364   85.568  371.970   28.298  430.137   42.566 -58.16687 51.11423 
1 1 1    9    9   21 o  230.929   17.355  132.525   15.616  137.943   17.944  115.614   31.702  242.165   15.855  219.692   30.877 22.47284 34.70963 
1 1 1    9    9   22 o  211.170   14.736  106.191   13.481  107.442   16.320  103.503   23.921  213.630   16.346  208.710   24.524 4.919281 29.47214 
1 1 1    9    9   23 o  272.557   15.174  167.816   18.360  152.042   22.261  201.375   32.469  253.844   18.764  291.271   23.852 -37.42741 30.34834 
1 1 1    9    9   24 o  169.314   16.063   67.486   12.711   67.486   12.711   0.0000   0.0000  169.314   16.063  ?   ?       ?      ? 
1 1 1    9    9   25 f  129.629   17.285   51.474   8.1837   59.707   9.3167   23.664   17.123  159.409   12.506   99.849   32.228 59.56024 34.56911 
1 1 1    9    9   26 o  463.633   25.322  502.170   48.408  472.068   55.849  593.093   97.064  442.487   27.007  484.779   42.842 -42.29196 50.64412 
1 1 1    9    9   27 o  285.304   17.193  180.392   20.351  164.441   23.415  229.661   41.151  263.024   19.048  307.583   28.627 -44.55856 34.38515 
1 1 1    9    9   28 o  305.688   21.691  227.085   26.668  225.808   30.742  230.967   53.608  307.426   21.397  303.951   37.739 3.474152 43.38227 
1 1 1    9    9   29 o  193.827   16.169   88.945   14.647   88.945   14.647   0.0000   0.0000  193.827   16.169  ?   ?       ?      ? 
1 1 1    9    9   30 o   84.729   14.282   13.900   5.5249   7.0802   6.5398   30.899   10.325   57.342   19.933  112.116   20.460 -54.77398 28.56468 
1 1 1    9    9   31 o  111.612   17.373   31.556   8.8136   35.498   12.011   26.957   12.974  119.804   22.271  103.421   26.669 16.38286 34.74553 
1 1 1    9    9   32 o   78.032   16.419   14.666   7.0465   22.313   9.4808   5.2291   10.532   94.495   21.897   61.569   24.472 32.92590 32.83770 
1 1 1    9    9   33 o   69.090   14.657   12.126   5.4245   16.048   6.6995   4.6599   9.2433   80.383   18.250   57.798   22.940 22.58463 29.31420 
1 1 1    9    9   34 o  131.551   17.682   44.691   10.354   51.990   13.672   34.873   15.855  146.913   19.912  116.189   29.226 30.72363 35.36455 
1 1 1    9    9   35 o  148.003   15.026   52.102   10.394   52.102   10.394   0.0000   0.0000  148.003   15.026  ?   ?       ?      ? 
1 1 1    9    9   36 o  106.079   11.973   26.614   5.9359   26.614   5.9359   0.0000   0.0000  106.079   11.973  ?   ?       ?      ? 
1 1 1    9    9   37 o  184.724   13.678   81.089   11.808   81.089   11.808   0.0000   0.0000  184.724   13.678  ?   ?       ?      ? 
1 1 1    9    9   38 o  162.503   14.920   57.191   9.7266   27.096   11.876  118.501   16.951  102.677   24.986  222.329   16.314 -119.6521 29.84065 
1 1 1    9    9   39 o  133.891   11.718   37.616   6.7268   30.178   7.8330   58.514   13.129  112.285   14.927  155.498   18.066 -43.21341 23.43509 
1 1 1    9    9   40 o  390.061   33.853  460.812   55.825  482.225   68.310  417.753   96.867  424.627   34.422  355.495   58.304 69.13174 67.70692 
1 1 1    9    9   41 o  181.287   18.151   91.268   11.980   98.511   13.821   69.387   24.024  202.736   14.587  159.838   33.243 42.89796 36.30289 
1 1 1    9    9   42 o  185.497   13.619   80.048   10.232   76.309   11.720   92.031   20.983  178.640   14.038  192.353   23.342 -13.71307 27.23797 
1 1 1    9    9   43 o  140.980   16.184   53.919   8.3357   56.954   9.5155   43.907   17.284  154.322   13.194  127.638   29.557 26.68403 32.36769 
1 1 1    9    9   44 o  229.481   17.234  127.118   17.730  110.847   21.694  159.846   30.768  210.214   22.082  248.747   26.467 -38.53314 34.46881 
1 1 1    9    9   45 o  152.186   14.428   54.564   9.7324   48.807   11.773   66.989   17.295  141.206   17.841  163.166   22.681 -21.95999 28.85646 
1 1 1    9    9   46 o  142.271   19.282   53.843   12.452   43.341   17.803   63.902   17.424  125.538   30.618  159.005   23.447 -33.46637 38.56406 
1 1 1    9    9   47 o   43.068   13.729  -2.7555   5.4678  -2.4660   6.6213  -3.3762   9.6952   39.092   17.523   47.045   21.138 -7.953091 27.45715 
1 1 1    9    9   48 o  178.387   15.564   78.245   12.276   74.717   14.981   85.456   21.418  174.286   18.392  182.489   25.113 -8.202255 31.12794 
1 1 1    9    9   49 o  124.928   15.340   39.186   7.4183   38.329   8.4889   41.953   15.259  125.711   14.449  124.145   27.064 1.565880 30.67937 
1 1 1    9    9   50 o  164.317   12.131   53.231   8.2657   39.215   9.4081  100.659   17.307  126.833   15.872  201.801   18.351 -74.96820 24.26221 
1 1 1    9    9   51 o  116.648   19.511   37.653   10.484   34.481   14.689   40.948   14.969  111.115   28.230  122.181   26.940 -11.06523 39.02168 
1 1 1    9    9   52 o  123.135   27.547   42.279   15.456   42.279   15.456   0.0000   0.0000  123.135   27.547  ?   ?       ?      ? 
1 1 1    9    9   53 o  111.662   26.735   34.889   13.767   34.889   13.767   0.0000   0.0000  111.662   26.735  ?   ?       ?      ? 
1 1 1    9    9   54 o  127.250   19.033   41.182   11.319   41.182   11.319   0.0000   0.0000  127.250   19.033  ?   ?       ?      ? 
1 1 1    9    9   55 o   55.584   15.646   5.1388   6.2964   8.9578   8.7082   0.9549   9.1148   61.656   22.807   49.512   21.425 12.14381 31.29266 
1 1 1    9    9   56 o   46.021   14.656  -2.9299   6.7922   1.1171   8.9649  -8.3832   10.407   49.206   21.271   42.835   20.167 6.370789 29.31124 
1 1 1    9    9   57 o   78.976   17.996   18.515   7.8144   22.119   9.9759   12.790   12.571   87.886   23.732   70.065   27.061 17.82117 35.99279 
1 1 1    9    9   58 o   52.602   15.241   3.5335   6.3639   8.8285   8.5640  -2.9959   9.5100   60.164   22.546   45.040   20.514 15.12364 30.48187 
1 1 1    9    9   59 o   74.776   16.990   13.715   6.8331   7.1999   8.4505   26.021   11.614   56.598   22.095   92.954   25.815 -36.35617 33.97948 
1 1 1    9    9   60 o   76.093   16.763   16.370   6.6860   10.756   8.5519   25.196   10.723   62.021   22.657   90.166   24.712 -28.14589 33.52672 
1 1 1    9    9   61 o   45.581   14.342   0.4177   5.9218   1.1576   7.2649  -1.0473   10.223   43.805   19.042   47.357   21.452 -3.551773 28.68391 
1 1 1    9    9   62 o   45.996   14.185   1.8820   5.8200   4.2361   7.5399  -1.5886   9.1547   48.243   20.117   43.750   20.004 4.493019 28.37027 
1 1 1    9    9   63 o   33.090   11.399  -9.0492   5.3916  -5.9869   6.3840 -16.6662   10.068   31.966   15.264   34.214   16.935 -2.248438 22.79840 
1 1 1    9    9   64 o   44.895   13.575   3.6319   4.8889   5.2673   5.5967  -1.6350   10.044   46.022   17.977   43.767   20.345 2.254513 27.14927 
1 1 1    9    9   65 o   31.720   10.915  -8.4355   5.0182  -7.8352   6.3938  -9.3984   8.0979   30.031   14.572   33.409   16.254 -3.378633 21.82962 
1 1 1    9    9   66 o   58.089   16.459   12.275   6.9065   9.7295   10.567   14.173   9.1256   54.449   23.309   61.730   23.246 -7.281345 32.91898 
1 1 1    9   10    0 o  226.120   11.102  121.431   16.409  121.431   16.409  121.431   16.409  226.120   15.701  226.120   15.701 -0.000000 0.000000 
1 1 1    9   10    1 o  356.874   16.146  300.140   26.927  304.471   38.086  295.812   38.075  359.469   22.670  354.279   22.996 5.190887 32.29168 
1 1 1    9   10    2 o  712.996   31.197  1226.10  103.942  1203.68  146.997  1248.53  146.994  706.266   44.535  719.726   43.701 -13.45972 62.39464 
1 1 1    9   10    3 o  534.866   26.399  707.786   63.102  586.098   99.749  788.975   81.477  493.091   43.285  576.640   30.233 -83.54932 52.79833 
1 1 1    9   10    4 o  244.535   16.788  137.182   18.300  154.012   31.715  128.782   22.405  255.163   26.595  233.906   20.496 21.25690 33.57669 
1 1 1    9   10    5 o  637.216   38.446  938.012  110.046  1234.96  190.665  789.677  134.756  706.105   57.778  568.327   50.735 137.7775 76.89143 
1 1 1    9   10    6 o  348.263   27.491  292.051   44.575  320.847   63.092  263.352   62.986  365.918   36.894  330.609   40.765 35.30826 54.98110 
1 1 1    9   10    7 o  419.908   23.502  421.066   46.091  438.401   65.215  403.766   65.152  428.728   32.548  411.088   33.912 17.64023 47.00377 
1 1 1    9   10    8 o  494.405   24.770  585.637   57.173  555.331   80.871  615.918   80.839  481.292   35.953  507.518   34.082 -26.22577 49.54043 
1 1 1    9   10    9 o  230.205   19.390  127.227   20.443   98.197   28.831  156.580   28.992  203.081   30.378  257.329   24.107 -54.24734 38.78062 
1 1 1    9   10   10 o  447.604   33.793  479.193   70.691  479.193   70.691   0.0000   0.0000  447.604   33.793  ?   ?       ?      ? 
1 1 1    9   10   11 f  756.402   59.771  1436.03  211.292  1436.03  211.292   0.0000   0.0000  756.402   59.771  ?   ?       ?      ? 
1 1 1    9   10   12 o  353.401   27.746  296.561   45.826  296.561   45.826   0.0000   0.0000  353.401   27.746  ?   ?       ?      ? 
1 1 1    9   10   13 o  643.493   35.462  958.737  102.470  811.857  125.436  1253.39  177.663  576.140   46.586  710.846   53.479 -134.7054 70.92377 
1 1 1    9   10   14 o  333.007   25.300  262.840   39.375  262.840   39.375   0.0000   0.0000  333.007   25.300  ?   ?       ?      ? 
1 1 1    9   10   15 o  632.449   37.798  934.894  107.357  786.394  131.422  1232.75  186.126  564.188   49.843  700.710   56.836 -136.5216 75.59537 
1 1 1    9   10   16 o  275.677   17.593  172.464   21.611  156.424   26.321  205.650   37.858  257.292   21.889  294.063   27.547 -36.77048 35.18502 
1 1 1    9   10   17 o  505.787   35.099  639.287   77.410  653.679   94.787  610.466  134.133  519.706   39.026  491.867   58.350 27.83826 70.19814 
1 1 1    9   10   18 o  192.970   11.936   87.752   10.740   81.185   15.208   94.287   15.171  185.705   17.522  200.236   16.212 -14.53040 23.87178 
1 1 1    9   10   19 o  677.107   30.933  1102.18   96.540  995.543  124.613  1262.28  152.681  638.386   41.767  715.829   45.639 -77.44287 61.86587 
1 1 1    9   10   20 o  251.581   15.138  150.158   17.741  137.083   25.188  163.030   24.992  240.534   22.407  262.627   20.362 -22.09280 30.27628 
1 1 1    9   10   21 o   64.882   15.325   7.9668   4.9829   5.9498   5.8059   13.607   9.7087   53.465   18.771   76.299   24.230 -22.83457 30.64991 
1 1 1    9   10   22 o  267.334   12.856  168.856   15.999  150.884   22.525  187.155   22.729  252.830   19.063  281.839   17.256 -29.00934 25.71295 
1 1 1    9   10   23 o  303.456   15.949  218.768   22.584  204.270   31.836  233.456   32.044  293.182   23.235  313.730   21.855 -20.54773 31.89775 
1 1 1    9   10   24 o  173.210   13.982   70.000   9.7793   68.835   11.244   73.615   19.815  170.959   14.073  175.461   24.164 -4.502197 27.96309 
1 1 1    9   10   25 o  250.106   14.295  149.473   16.340  151.668   21.114  146.197   25.799  252.911   17.863  247.302   22.322 5.608917 28.58973 
1 1 1    9   10   26 o  204.596   10.660   98.520   10.008   96.984   12.934  100.812   15.800  202.816   13.646  206.377   16.382 -3.560242 21.32038 
1 1 1    9   10   27 o  348.504   18.126  288.168   29.097  266.089   37.548  321.355   46.034  332.689   24.150  364.319   27.037 -31.62964 36.25177 
1 1 1    9   10   28 o  154.376   12.193   56.530   8.7925   56.608   12.634   56.457   12.244  154.445   17.503  154.308   16.979 0.1367798 24.38510 
1 1 1    9   10   29 o  238.003   15.269  126.211   14.973  116.612   17.192  156.351   30.465  221.766   16.588  254.240   25.640 -32.47433 30.53819 
1 1 1    9   10   30 o   87.108   15.100   19.596   5.9685   21.749   7.3780   15.520   10.153   94.232   17.394   79.985   24.688 14.24658 30.20000 
1 1 1    9   10   31 o  304.549   17.678  225.912   25.075  205.440   35.494  246.310   35.430  290.181   26.172  318.918   23.771 -28.73645 35.35617 
1 1 1    9   10   32 o  150.356   12.889   49.826   8.4843   66.811   15.677   42.790   10.090  166.650   20.129  134.062   16.104 32.58868 25.77774 
1 1 1    9   10   33 o  170.325   15.038   69.143   11.613   48.712   15.491   95.354   17.546  141.384   23.444  199.266   18.841 -57.88222 30.07651 
1 1 1    9   10   34 f  203.248   25.842  101.650   24.547  101.650   24.547   0.0000   0.0000  203.248   25.842  ?   ?       ?      ? 
1 1 1    9   10   35 o  247.657   20.307  148.340   23.504  148.340   23.504   0.0000   0.0000  247.657   20.307  ?   ?       ?      ? 
1 1 1    9   10   36 o  240.606   30.743  146.884   34.570  146.884   34.570   0.0000   0.0000  240.606   30.743  ?   ?       ?      ? 
1 1 1    9   10   37 o  217.834   20.321  120.065   20.579  133.462   29.144  106.743   29.063  230.932   27.004  204.736   30.374 26.19637 40.64242 
1 1 1    9   10   38 o   75.173   16.820   13.945   6.6604   15.886   9.3784   11.970   9.4606   79.298   23.575   71.048   23.997 8.250359 33.63931 
1 1 1    9   10   39 o  186.312   18.770   88.054   16.339   88.317   22.850   87.778   23.372  186.802   26.173  185.823   26.912 0.9793396 37.54086 
1 1 1    9   10   40 o  105.940   14.594   28.603   5.6979   28.993   6.3797   27.062   12.667  110.366   12.369  101.513   26.438 8.852844 29.18795 
1 1 1    9   10   41 o  220.631   14.331  110.746   13.086  101.752   15.064  138.410   26.419  205.726   15.668  235.535   24.000 -29.80928 28.66157 
1 1 1    9   10   42 o   90.997   15.128   22.256   5.4461   23.447   6.0841   17.457   12.217   99.041   13.144   82.954   27.251 16.08657 30.25583 
1 1 1    9   10   43 o   64.789   14.847   7.4939   4.1460   5.6429   4.5473   16.614   10.094   49.432   16.637   80.147   24.595 -30.71502 29.69369 
1 1 1    9   10   44 o  133.684   14.688   45.319   7.3638   45.597   8.3862   44.383   15.389  137.945   13.008  129.423   26.339 8.522507 29.37597 
1 1 1    9   10   45 o   98.973   15.513   28.276   7.2421   37.501   9.1096   12.430   11.939  124.442   15.663   73.503   26.783 50.93909 31.02661 
1 1 1    9   10   46 o  178.354   13.993   73.747   10.259   68.704   11.797   89.392   20.779  168.710   14.962  187.999   23.650 -19.28845 27.98513 
1 1 1    9   10   47 o   81.920   16.548   18.323   6.7538   21.618   8.2365   11.562   11.799   91.976   19.751   71.864   26.555 20.11201 33.09528 
1 1 1    9   10   48 o  217.694   22.487  131.008   22.874  130.374   32.572  131.625   32.130  216.807   32.146  218.581   31.452 -1.773331 44.97335 
1 1 1    9   10   49 o   88.686   15.942   21.273   6.2570   22.779   7.2286   16.771   12.495   96.639   16.005   80.733   27.577 15.90671 31.88468 
1 1 1    9   10   50 o   76.093   17.125   12.664   8.4605  -4.3326   12.533   26.893   11.467   52.318   23.721   99.867   24.706 -47.54948 34.24995 
1 1 1    9   10   51 o   62.314   15.585   7.8138   6.7712   15.886   8.4808  -6.3799   11.246   77.351   22.260   47.277   21.818 30.07330 31.16998 
1 1 1    9   10   52 o   98.681   21.350   25.810   9.5605   25.810   9.5605   0.0000   0.0000   98.681   21.350  ?   ?       ?      ? 
1 1 1    9   10   53 o  122.284   19.214   38.009   10.981   38.009   10.981   0.0000   0.0000  122.284   19.214  ?   ?       ?      ? 
1 1 1    9   10   54 o   88.334   17.987   21.457   7.5621   20.226   9.3418   23.798   12.880   85.883   22.868   90.784   27.771 -4.901199 35.97421 
1 1 1    9   10   55 o   70.966   16.037   13.032   5.7406   11.834   7.0037   15.483   10.021   66.804   20.486   75.127   24.681 -8.323524 32.07489 
1 1 1    9   10   56 o   70.993   16.765   13.800   6.5743   11.849   9.3666   15.693   9.2299   67.048   23.811   74.937   23.606 -7.889038 33.52974 
1 1 1    9   10   57 o   50.256   14.248   1.7024   5.9409   10.273   7.9782  -8.9644   8.9008   62.508   22.000   38.005   18.113 24.50294 28.49660 
1 1 1    9   10   58 o   55.438   15.858   5.8011   6.4215   3.7773   9.3939   7.5762   8.7981   52.892   22.281   57.985   22.570 -5.092514 31.71542 
1 1 1    9   10   59 o   69.390   24.158   14.110   9.6072   14.110   9.6072   0.0000   0.0000   69.390   24.158  ?   ?       ?      ? 
1 1 1    9   10   60 o   69.796   16.794   14.761   6.5502   15.313   8.7203   14.047   9.9226   71.324   22.997   68.267   24.480 3.057892 33.58720 
1 1 1    9   10   61 o   47.224   13.711   3.9622   4.8492   4.6053   6.5194   3.1658   7.2549   47.826   19.171   46.623   19.607 1.202087 27.42245 
1 1 1    9   10   62 o   38.823   12.700  -2.7047   5.4315  -2.7304   7.5224  -2.6767   7.8507   38.405   17.766   39.240   18.151 -0.8350601 25.39907 
1 1 1    9   10   63 o   38.866   13.040  -3.7370   5.7725 -13.8502   12.666  -1.0857   6.4852   40.372   19.788   37.361   16.987 3.010826 26.07925 
1 1 1    9   10   64 o   34.709   12.129 -11.9624   6.3386 -12.9080   11.697 -11.5692   7.5420   38.802   19.018   30.617   15.059 8.185207 24.25835 
1 1 1    9   10   65 o   41.759   13.276  -0.1741   5.6337   5.4111   8.0299  -5.5884   7.9061   48.047   20.437   35.472   16.951 12.57503 26.55191 
1 1 1    9   11    0 o  488.751   40.847  598.953  127.105  598.953  127.105  598.953  127.105  488.751   57.767  488.751   57.767 -0.000000 0.000000 
1 1 1    9   11    1 o  412.252   46.252  414.591   89.112  414.591   89.112   0.0000   0.0000  412.252   46.252  ?   ?       ?      ? 
1 1 1    9   11    2 o  256.896   30.007  157.073   36.027  157.073   36.027   0.0000   0.0000  256.896   30.007  ?   ?       ?      ? 
1 1 1    9   11    3 o  428.808   48.097  450.163   96.388  450.163   96.388   0.0000   0.0000  428.808   48.097  ?   ?       ?      ? 
1 1 1    9   11    4 o  501.187   56.613  625.759  132.604  625.759  132.604   0.0000   0.0000  501.187   56.613  ?   ?       ?      ? 
1 1 1    9   11    5 o  247.092   29.119  145.166   33.626  145.166   33.626   0.0000   0.0000  247.092   29.119  ?   ?       ?      ? 
1 1 1    9   11    6 o  250.419   16.526  147.366   19.341  147.366   19.341   0.0000   0.0000  250.419   16.526  ?   ?       ?      ? 
1 1 1    9   11    7 o  268.907   17.824  172.052   19.390  172.921   22.433  169.485   38.562  271.146   17.703  266.667   30.942 4.478821 35.64787 
1 1 1    9   11    8 o  298.113   18.647  209.189   25.979  209.189   25.979   0.0000   0.0000  298.113   18.647  ?   ?       ?      ? 
1 1 1    9   11    9 o  515.995   58.512  667.633  141.103  667.633  141.103   0.0000   0.0000  515.995   58.512  ?   ?       ?      ? 
1 1 1    9   11   10 o  754.618   44.447  1453.98  154.802  1697.24  218.957  1210.88  218.889  823.561   56.888  685.675   68.307 137.8857 88.89340 
1 1 1    9   11   11 o  228.652   12.358  123.111   13.184  114.406   18.585  131.928   18.704  220.458   18.038  236.845   16.898 -16.38643 24.71696 
1 1 1    9   11   12 o  403.747   23.589  376.706   42.493  346.508   51.943  437.800   73.883  381.362   29.144  426.133   37.098 -44.77145 47.17708 
1 1 1    9   11   13 o  159.823   12.571   56.339   8.7403   50.516   10.372   70.601   16.234  146.639   15.135  173.008   20.077 -26.36826 25.14265 
1 1 1    9   11   14 o  559.388   37.275  767.219   92.227  743.308  112.902  815.176  159.892  551.773   43.782  567.003   60.339 -15.22937 74.55000 
1 1 1    9   11   15 o  364.585   26.179  334.106   40.849  358.958   49.970  284.047   70.920  388.456   27.525  340.715   44.539 47.74182 52.35756 
1 1 1    9   11   16 o  129.080   9.0488   38.500   5.3293   41.756   8.6629   36.517   6.7599  133.358   13.899  124.802   11.590 8.555916 18.09751 
1 1 1    9   11   17 o  394.310   18.197  359.767   33.059  435.117   52.323  309.702   42.650  427.628   26.181  360.993   25.280 66.63504 36.39385 
1 1 1    9   11   18 o  262.359   12.950  162.432   15.863  153.953   22.396  170.968   22.471  255.425   18.761  269.293   17.855 -13.86818 25.89940 
1 1 1    9   11   19 o  154.317   8.5561   55.863   6.1651   59.146   8.7981   52.696   8.6416  158.783   11.856  149.851   12.339 8.931946 17.11222 
1 1 1    9   11   20 o  197.178   14.878   89.151   11.883   86.440   13.637   97.699   24.215  191.716   15.220  202.641   25.570 -10.92479 29.75673 
1 1 1    9   11   21 o  201.505   18.379   98.056   15.984  100.124   19.351   93.614   28.361  205.715   20.127  197.295   30.758 8.420410 36.75859 
1 1 1    9   11   22 o  128.806   10.396   39.158   6.2441   40.460   8.6430   37.735   9.0306  131.092   14.107  126.520   15.273 4.572510 20.79115 
1 1 1    9   11   23 o  407.055   20.427  397.553   38.230  379.500   49.351  424.643   60.455  396.731   26.617  417.380   30.993 -20.64914 40.85357 
1 1 1    9   11   24 o   94.424   8.8098   21.210   3.7879   22.060   4.8956   19.941   5.9792   96.893   10.811   91.955   13.913 4.938316 17.61967 
1 1 1    9   11   25 o  118.168   9.5658   34.149   5.0567   38.538   6.5622   27.733   7.9341  128.044   10.966  108.291   15.677 19.75366 19.13159 
1 1 1    9   11   26 o  247.962   13.706  148.454   15.433  156.364   19.952  136.671   24.351  256.910   16.618  239.015   21.800 17.89430 27.41130 
1 1 1    9   11   27 f  205.385   11.544  100.333   10.850  101.972   14.059   97.920   17.062  207.767   14.479  203.003   17.984 4.763794 23.08841 
1 1 1    9   11   28 o  120.355   15.488   40.916   6.8176   45.404   7.7810   26.085   14.145  138.845   11.991  101.865   28.560 36.97978 30.97529 
1 1 1    9   11   29 o  294.620   21.916  229.176   24.810  243.420   28.628  186.200   49.728  319.249   19.188  269.990   39.410 49.25900 43.83299 
1 1 1    9   11   30 o  172.575   17.085   70.953   13.779   70.953   13.779   0.0000   0.0000  172.575   17.085  ?   ?       ?      ? 
1 1 1    9   11   31 o  327.409   23.474  270.126   33.725  273.954   58.563  268.227   41.252  324.752   38.586  330.067   26.742 -5.315582 46.94706 
1 1 1    9   11   32 f  140.418   10.898   46.939   7.1496   45.774   10.120   48.100   10.102  138.644   15.619  142.193   15.201 -3.548996 21.79501 
1 1 1    9   11   33 o  183.972   14.822   82.594   12.024   84.185   14.843   79.557   20.505  187.662   16.924  180.281   24.337 7.380692 29.64330 
1 1 1    9   11   34 o   64.613   15.036   10.333   4.4551   10.333   4.4551   0.0000   0.0000   64.613   15.036  ?   ?       ?      ? 
1 1 1    9   11   35 o  140.626   12.261   46.847   8.0579   46.847   8.0579   0.0000   0.0000  140.626   12.261  ?   ?       ?      ? 
1 1 1    9   11   36 o  365.229   22.660  343.645   38.565  371.222   54.545  316.080   54.533  381.378   30.603  349.081   33.426 32.29700 45.31918 
1 1 1    9   11   37 o  221.324   17.188  121.672   16.712  122.451   28.955  121.282   20.465  219.503   28.225  223.145   19.624 -3.641357 34.37656 
1 1 1    9   11   38 o   94.319   11.257   21.678   4.8498   19.876   6.7086   23.651   7.0192   89.411   16.668   99.226   15.136 -9.814980 22.51479 
1 1 1    9   11   39 o  246.131   15.093  150.487   17.104  121.971   24.143  179.219   24.235  221.271   23.347  270.990   19.136 -49.71848 30.18694 
1 1 1    9   11   40 o  334.431   19.291  284.225   30.151  283.836   42.604  284.615   42.676  334.206   27.277  334.655   27.286 -0.4495850 38.58193 
1 1 1    9   11   41 o  219.846   12.127  115.297   12.279  106.033   15.835  129.265   19.444  209.418   16.180  230.274   18.068 -20.85657 24.25327 
1 1 1    9   11   42 o  259.030   13.453  159.650   15.995  127.927   20.651  207.219   25.288  227.681   19.407  290.378   18.634 -62.69640 26.90502 
1 1 1    9   11   43 o  139.742   12.608   44.208   7.1039   40.950   8.0764   55.346   14.932  130.667   13.225  148.816   21.470 -18.14853 25.21673 
1 1 1    9   11   44 o   93.124   15.473   20.913   6.5507   15.082   8.2343   30.967   10.812   76.559   21.906  109.689   21.858 -33.13057 30.94540 
1 1 1    9   11   45 o  152.566   16.068   61.510   9.1863   63.773   10.562   54.482   18.614  162.900   13.874  142.231   28.987 20.66861 32.13604 
1 1 1    9   11   46 o   68.544   15.771   11.715   5.6501   12.629   6.8582   9.7847   9.9682   70.435   19.936   66.653   24.444 3.782310 31.54291 
1 1 1    9   11   47 f  124.844   17.426   46.117   9.1056   54.669   11.060   28.130   16.041  149.650   15.814  100.038   31.057 49.61121 34.85135 
1 1 1    9   11   48 o   99.069   16.604   27.334   7.4256   30.745   8.9424   19.759   13.327  111.924   17.096   86.215   28.469 25.70949 33.20769 
1 1 1    9   11   49 o   77.933   15.182   17.250   6.8768   26.001   8.3724  -0.8939   12.056  101.078   18.401   54.787   24.152 46.29158 30.36359 
1 1 1    9   11   50 o  116.430   16.858   36.194   8.5000   36.782   10.391   35.006   14.776  121.333   18.325  111.527   28.302 9.806694 33.71698 
1 1 1    9   11   51 o   44.179   19.354  -0.5776   7.6326  -0.5776   7.6326   0.0000   0.0000   44.179   19.354  ?   ?       ?      ? 
1 1 1    9   11   52 o   82.340   20.734   18.053   7.9741   18.053   7.9741   0.0000   0.0000   82.340   20.734  ?   ?       ?      ? 
1 1 1    9   11   53 o   69.790   15.868   13.194   6.7633   19.503   8.2226   0.0000   11.892   85.287   20.813   54.294   23.959 30.99276 31.73619 
1 1 1    9   11   54 o   67.676   16.290   11.300   6.6509   17.792   9.2439   4.3335   9.5766   80.285   23.280   55.066   22.793 25.21824 32.58010 
1 1 1    9   11   55 o   79.886   17.314   17.516   7.4933   10.084   10.438   25.419   10.763   64.935   24.764   94.836   24.204 -29.90074 34.62765 
1 1 1    9   11   56 o   93.151   17.819   25.394   7.9354   23.354   10.812   27.777   11.684   89.218   24.954   97.083   25.443 -7.864182 35.63735 
1 1 1    9   11   57 o   33.861   11.333  -6.7275   4.7628  -4.6811   6.9322  -8.5572   6.5548   36.324   16.890   31.397   15.116 4.926363 22.66654 
1 1 1    9   11   58 o   70.448   20.472   13.929   7.1419   13.929   7.1419   0.0000   0.0000   70.448   20.472  ?   ?       ?      ? 
1 1 1    9   11   59 o   45.171   13.695   2.0744   5.2176   3.8752   6.7922  -0.5180   8.1495   46.960   19.292   43.382   19.444 3.578686 27.39034 
1 1 1    9   11   60 o   69.041   15.001   12.736   5.6271   6.6182   7.4175   21.029   8.6367   53.234   20.723   84.848   21.695 -31.61462 30.00241 
1 1 1    9   11   61 o   52.177   15.029   5.9104   5.9013   2.4056   8.2402   9.6007   8.4554   46.336   20.209   58.018   22.249 -11.68246 30.05706 
1 1 1    9   11   62 o   64.537   16.164   13.554   6.4086   17.483   8.6036   8.6569   9.6050   73.086   22.754   55.989   22.964 17.09646 32.32775 
1 1 1    9   11   63 o   47.321   15.239   2.0018   6.9135  -0.0036   13.298   2.7446   8.0932   49.394   23.108   45.248   19.873 4.146088 30.47856 
1 1 1    9   11   64 o   47.470   15.334   1.2718   6.7556   7.4892   12.831  -1.1126   7.9461   54.836   24.501   40.103   18.447 14.73269 30.66868 
1 1 1    9   11   65 o   44.266   14.308   1.9090   6.4675   1.3045   10.703   2.2567   8.1169   45.407   21.071   43.124   19.361 2.283253 28.61561 
1 1 1    9   12    0 o  547.777   45.980  759.989  160.288  759.989  160.288  759.989  160.288  547.777   65.026  547.777   65.026 -0.000000 0.000000 
1 1 1    9   12    1 o  503.339   40.143  637.521   93.133  751.518  131.760  523.695  131.661  551.750   51.097  454.927   61.926 96.82349 80.28551 
1 1 1    9   12    2 o  281.967   23.005  190.061   30.313  187.968   42.915  192.145   42.824  280.375   32.751  283.559   32.315 -3.183533 46.00952 
1 1 1    9   12    3 o  261.263   30.589  162.765   37.349   0.0000   0.0000  162.765   37.349  ?   ?   261.263   30.589      ?      ? 
1 1 1    9   12    4 o  437.139   32.927  457.238   67.268   0.0000   0.0000  457.238   67.268  ?   ?   437.139   32.927      ?      ? 
1 1 1    9   12    5 o  680.810   51.479  1147.39  163.795   0.0000   0.0000  1147.39  163.795  ?   ?   680.810   51.479      ?      ? 
1 1 1    9   12    6 o  692.296   39.719  1092.63  115.167  1459.72  230.476  970.471  132.956  754.584   65.355  630.008   45.156 124.5755 79.43736 
1 1 1    9   12    7 o  260.052   20.235  171.290   20.481  141.873   40.991  181.077   23.644  242.790   36.126  277.314   18.243 -34.52461 40.47077 
1 1 1    9   12    8 o  205.430   18.197  100.696   17.316   85.594   24.500  115.769   24.477  189.714   27.633  221.146   23.683 -31.43263 36.39337 
1 1 1    9   12    9 o  312.291   18.841  211.237   24.639  279.260   49.434  188.751   28.422  341.897   30.937  282.685   21.513 59.21216 37.68210 
1 1 1    9   12   10 o  246.451   19.380  151.769   18.724  130.572   37.521  158.798   21.606  233.177   34.430  259.725   17.800 -26.54865 38.75946 
1 1 1    9   12   11 o  891.736   60.672  2118.66  217.613  2290.57  435.303  2061.38  251.262  881.123  105.709  902.349   59.581 -21.22589 121.3439 
1 1 1    9   12   12 o  431.191   19.909  450.167   38.896  408.677   61.453  477.898   50.241  413.220   31.821  449.162   23.934 -35.94208 39.81743 
1 1 1    9   12   13 o  692.062   38.533  1205.73  123.822  1058.36  175.118  1353.07  175.103  646.500   57.959  737.625   50.794 -91.12531 77.06685 
1 1 1    9   12   14 o  159.364   12.888   59.753   9.1683   59.481   11.381   60.255   15.474  159.052   15.311  159.675   20.736 -0.6228485 25.77594 
1 1 1    9   12   15 o  204.972   11.924   99.000   11.416  102.322   16.090   95.632   16.200  208.470   16.514  201.475   17.205 6.994476 23.84785 
1 1 1    9   12   16 o  289.207   22.400  212.248   27.461  232.568   33.586  171.268   47.697  313.162   22.948  265.251   38.476 47.91129 44.80018 
1 1 1    9   12   17 o  648.761   38.465  1010.76  111.879  886.600  136.962  1259.75  193.954  596.411   49.137  701.110   59.193 -104.6992 76.93037 
1 1 1    9   12   18 o  434.990   22.076  451.564   44.068  439.703   56.848  469.424   69.757  428.904   28.360  441.076   33.840 -12.17218 44.15263 
1 1 1    9   12   19 o  517.059   25.802  637.369   61.489  571.093   79.326  737.135   97.326  484.954   35.000  549.164   37.921 -64.20953 51.60479 
1 1 1    9   12   20 o  515.414   25.934  650.463   61.293  668.885   96.900  638.175   79.137  519.073   39.944  511.754   33.088 7.318848 51.86874 
1 1 1    9   12   21 o  216.791   19.806  123.899   17.165  138.244   20.822   93.479   30.323  241.380   18.458  192.203   35.049 49.17705 39.61198 
1 1 1    9   12   22 o  214.876   13.227  110.583   13.133  128.323   18.473   92.457   18.673  232.752   16.983  196.999   20.282 35.75339 26.45336 
1 1 1    9   12   23 o  191.541   11.481   84.984   10.125   76.733   13.027   97.574   16.091  180.161   15.472  202.921   16.968 -22.76018 22.96252 
1 1 1    9   12   24 o  407.513   20.777  376.047   35.151  345.131   40.521  470.051   70.659  379.408   22.852  435.619   34.707 -56.21103 41.55485 
1 1 1    9   12   25 o  119.370   11.816   30.417   5.3606   28.268   5.9420   39.813   12.426  109.610   11.599  129.130   20.590 -19.52084 23.63245 
1 1 1    9   12   26 o  328.146   15.502  254.775   23.410  239.982   30.212  277.001   37.032  316.937   20.397  339.354   23.350 -22.41696 31.00428 
1 1 1    9   12   27 o  249.135   12.113  143.999   13.906  127.389   17.926  169.101   22.036  231.658   16.557  266.611   17.685 -34.95332 24.22631 
1 1 1    9   12   28 o  209.162   18.178  111.364   14.793  115.949   17.022   97.218   29.902  220.850   16.492  197.474   32.400 23.37602 36.35611 
1 1 1    9   12   29 o  497.044   50.064  781.024  108.668  590.203  153.528  972.596  153.831  411.820   82.643  582.269   56.530 -170.4489 100.1272 
1 1 1    9   12   30 o  232.491   18.229  130.480   18.746  140.133   32.617  125.720   22.907  237.071   29.439  227.911   21.506 9.160370 36.45811 
1 1 1    9   12   31 f   53.209   12.795   5.7105   4.5355  -6.3543   8.4065   10.665   5.3868   40.806   18.843   65.612   17.315 -24.80527 25.59062 
1 1 1    9   12   32 o  164.642   13.808   67.032   9.9573   70.821   12.346   59.979   16.844  172.437   15.319  156.846   22.978 15.59019 27.61667 
1 1 1    9   12   33 o  171.027   14.655   74.747   10.800   83.257   13.466   59.403   18.083  186.807   15.424  155.246   24.923 31.56192 29.30968 
1 1 1    9   12   34 o  135.118   10.425   33.451   5.6143   25.510   6.2536   66.442   12.746  103.683   12.906  166.554   16.375 -62.87148 20.84954 
1 1 1    9   12   35 o  240.852   12.942  136.161   14.356  115.361   18.532  167.378   22.703  218.574   18.141  263.129   18.462 -44.55472 25.88317 
1 1 1    9   12   36 o  137.978   10.495   46.921   6.4932   51.486   8.3684   40.014   10.293  147.210   12.164  128.746   17.107 18.46414 20.99039 
1 1 1    9   12   37 o  135.372   10.442   43.944   6.6025   43.083   9.1495   44.880   9.5374  134.027   14.607  136.716   14.927 -2.688614 20.88475 
1 1 1    9   12   38 o   46.914   11.306   3.4639   3.1768   0.1303   4.0422   8.8493   5.1377   34.034   14.489   59.794   17.360 -25.75911 22.61216 
1 1 1    9   12   39 o   59.040   12.993   8.7615   4.0998   11.011   5.0363   4.3421   7.0589   66.324   16.352   51.756   20.197 14.56765 25.98669 
1 1 1    9   12   40 o  108.708   10.548   28.600   5.3254   30.722   7.3345   26.235   7.7447  113.210   13.862  104.205   15.903 9.005302 21.09661 
1 1 1    9   12   41 f  112.744   13.067   27.592   6.2825   22.973   7.2955   40.847   12.359   97.295   16.044  128.194   20.629 -30.89834 26.13346 
1 1 1    9   12   42 o   95.689   13.520   17.987   5.3804   12.434   6.1348   36.493   11.199   69.912   18.492  121.466   19.728 -51.55408 27.03917 
1 1 1    9   12   43 o  228.892   14.297  129.817   15.292  127.814   21.509  131.864   21.746  227.075   20.268  230.710   20.169 -3.634796 28.59307 
1 1 1    9   12   44 o  101.020   15.363   25.101   6.0026   24.472   6.7491   27.478   13.131  100.821   14.324  101.218   27.183 -0.3979568 30.72555 
1 1 1    9   12   45 o  189.380   18.759   97.420   14.549  105.701   17.810   80.814   25.221  207.585   18.358  171.176   32.719 36.40973 37.51789 
1 1 1    9   12   46 o  109.777   15.183   30.323   6.5195   29.752   7.4455   32.197   13.498  110.820   14.376  108.734   26.747 2.086266 30.36530 
1 1 1    9   12   47 o  218.635   23.386  135.744   21.863   85.940   30.631  187.465   31.215  167.975   39.655  269.296   24.802 -101.3203 46.77265 
1 1 1    9   12   48 o  151.547   12.660   57.248   8.8145   45.649   12.433   68.970   12.499  135.106   19.690  167.988   15.920 -32.88225 25.32082 
1 1 1    9   12   49 o   90.025   17.190   21.874   7.1383   21.960   8.7156   21.697   12.441   91.379   20.867   88.671   27.322 2.708313 34.37915 
1 1 1    9   12   50 o   62.520   21.915   9.4798   7.9126   9.4798   7.9126   0.0000   0.0000   62.520   21.915  ?   ?       ?      ? 
1 1 1    9   12   51 o   51.467   18.970   5.7216   6.0141   5.7216   6.0141   0.0000   0.0000   51.467   18.970  ?   ?       ?      ? 
1 1 1    9   12   52 o   78.824   18.217   10.637   8.5306   33.623   14.737  -0.9471   10.461  107.303   28.789   50.345   22.331 56.95840 36.43459 
1 1 1    9   12   53 o   85.823   24.290   20.580   10.181   0.0000   0.0000   20.580   10.181  ?   ?    85.823   24.290      ?      ? 
1 1 1    9   12   54 o   57.276   13.845   4.1558   5.7245   16.585   8.0945  -8.2805   8.0969   77.879   21.523   36.674   17.421 41.20466 27.68961 
1 1 1    9   12   55 o   76.542   16.268   15.577   6.6642   24.844   10.080   8.3814   8.8820   93.442   23.192   59.642   22.820 33.79997 32.53622 
1 1 1    9   12   56 o   71.627   14.912   15.075   5.7247   19.154   7.0242   7.0054   9.8792   84.668   18.286   58.586   23.559 26.08242 29.82319 
1 1 1    9   12   57 o   62.835   15.442   8.8630   5.6505   4.0248   7.0924   17.270   9.3492   48.710   19.827   76.960   23.680 -28.25043 30.88453 
1 1 1    9   12   58 o   77.645   17.602   18.850   7.2527   17.148   10.168   20.614   10.348   74.229   24.879   81.062   24.908 -6.832039 35.20448 
1 1 1    9   12   59 o   62.165   17.725   7.9805   6.9656   16.573   14.142   5.2283   8.0039   72.756   28.534   51.573   21.036 21.18287 35.44942 
1 1 1    9   12   60 o   91.957   15.115   26.535   6.4826   30.634   8.1825   19.626   10.624  107.021   16.360   76.894   25.420 30.12701 30.22908 
1 1 1    9   12   61 o   58.258   15.773   10.015   6.0841   12.443   8.5580   7.5337   8.6512   62.677   22.700   53.838   21.904 8.838207 31.54541 
1 1 1    9   12   62 o   61.566   14.184   8.2418   6.2546  -6.7005   8.7281   24.015   8.9676   37.007   17.719   86.126   22.153 -49.11832 28.36747 
1 1 1    9   12   63 o   66.465   16.195   15.177   6.4343   19.622   8.7583   9.9650   9.4838   76.170   22.813   56.760   22.992 19.40925 32.38957 
1 1 1    9   12   64 o   61.748   17.447   14.927   7.6382   13.568   12.583   15.720   9.6119   59.250   25.401   64.246   23.923 -4.995556 34.89316 
1 1 1    9   13    0 o  271.856   16.253  177.407   28.723  177.407   28.723  177.407   28.723  271.856   22.985  271.856   22.985 -0.000000 0.000000 
1 1 1    9   13    1 o  753.308   39.731  1424.02  139.848  1454.62  197.775  1393.43  197.774  761.998   55.536  744.619   56.832 17.37885 79.46150 
1 1 1    9   13    2 o  673.873   56.817  1226.06  176.712  1032.14  249.854  1420.14  249.961  612.294   87.314  735.451   72.724 -123.1567 113.6331 
1 1 1    9   13    3 o  472.945   31.083  532.961   65.397  590.431  113.282  504.233   80.091  488.813   49.588  457.076   37.493 31.73642 62.16665 
1 1 1    9   13    4 o  239.604   14.182  135.688   15.834  123.905   22.412  147.430   22.373  229.098   20.933  250.111   19.140 -21.01241 28.36426 
1 1 1    9   13    5 o  547.744   29.032  732.259   73.707  836.642  104.262  627.977  104.212  588.496   37.909  506.993   43.982 81.50317 58.06432 
1 1 1    9   13    6 o  269.828   16.779  164.956   18.644  188.407   37.386  157.193   21.510  281.263   28.442  258.393   17.812 22.86969 33.55898 
1 1 1    9   13    7 o  344.371   17.605  275.735   27.933  313.844   44.245  250.479   36.018  363.529   26.042  325.213   23.698 38.31610 35.21075 
1 1 1    9   13    8 o  149.794   13.408   54.011   8.7666   49.660   15.100   56.222   10.767  144.897   22.299  154.691   14.893 -9.794235 26.81507 
1 1 1    9   13    9 o  506.372   26.126  543.886   55.923  812.422  112.031  454.769   64.538  577.120   41.537  435.625   31.700 141.4946 52.25120 
1 1 1    9   13   10 o  294.738   25.123  234.281   29.199  158.476   50.641  272.032   35.737  250.565   44.894  338.912   22.563 -88.34660 50.24539 
1 1 1    9   13   11 o  244.292   18.856  153.489   17.724  121.660   35.566  164.005   20.443  224.655   33.875  263.928   16.574 -39.27345 37.71190 
1 1 1    9   13   12 o  646.886   46.379  1092.26  131.453  1102.70  227.671  1087.04  161.000  636.602   76.524  657.170   52.421 -20.56714 92.75713 
1 1 1    9   13   13 o  387.772   23.412  364.666   39.751  354.678   68.942  369.640   48.653  381.665   38.651  393.878   26.431 -12.21338 46.82379 
1 1 1    9   13   14 o  374.253   26.125  345.941   42.545  320.862   73.588  358.532   52.142  361.210   43.592  387.296   28.807 -26.08609 52.25042 
1 1 1    9   13   15 o  105.480   14.983   27.365   7.1216   24.613   10.233   29.950   9.9173   99.990   22.448  110.970   19.851 -10.98049 29.96655 
1 1 1    9   13   16 o  249.583   17.227  147.374   18.998  150.968   32.854  145.568   23.285  251.130   27.993  248.036   20.087 3.094559 34.45411 
1 1 1    9   13   17 o  148.325   14.475   52.857   9.2963   50.394   16.406   54.022   11.282  145.306   24.158  151.343   15.951 -6.037125 28.94949 
1 1 1    9   13   18 o  329.408   20.531  263.667   31.408  230.959   44.459  296.252   44.375  308.191   30.867  350.625   27.080 -42.43390 41.06250 
1 1 1    9   13   19 o  189.029   20.287   97.765   15.061  112.998   18.280   65.564   26.577  218.280   17.919  159.778   36.404 58.50146 40.57469 
1 1 1    9   13   20 o  181.261   11.264   78.462   9.3017   74.117   14.676   81.379   12.026  176.760   17.765  185.762   13.852 -9.002075 22.52729 
1 1 1    9   13   21 o  280.642   15.826  189.306   20.640  210.839   29.091  167.477   29.290  297.196   20.945  264.089   23.731 33.10730 31.65201 
1 1 1    9   13   22 o  368.362   19.212  324.733   32.557  307.025   42.012  351.353   51.511  356.866   25.190  379.858   29.016 -22.99188 38.42485 
1 1 1    9   13   23 o  236.326   14.806  127.314   14.310  121.164   16.450  146.441   29.010  226.305   15.553  246.347   25.198 -20.04149 29.61150 
1 1 1    9   13   24 f  703.266   54.809  1463.47  171.838  1311.30  210.415  1768.19  297.755  672.549   66.944  733.982   86.802 -61.43384 109.6179 
1 1 1    9   13   25 o  187.526   18.177   90.917   12.624   94.989   14.458   77.855   25.897  200.257   15.449  174.795   32.908 25.46190 36.35420 
1 1 1    9   13   26 o  423.406   23.971  448.940   47.428  456.277   67.111  441.620   67.035  427.092   33.623  419.720   34.174 7.372498 47.94119 
1 1 1    9   13   27 o  288.444   18.138  202.904   20.999  202.603   24.208  203.820   42.204  291.279   17.783  285.609   31.618 5.670532 36.27605 
1 1 1    9   13   28 o  244.820   21.766  150.619   24.721  130.639   34.882  170.780   35.041  227.318   32.834  262.323   28.582 -35.00465 43.53215 
1 1 1    9   13   29 o  206.897   19.366  106.185   18.635  117.397   26.322   94.919   26.385  218.535   25.772  195.260   28.914 23.27519 38.73259 
1 1 1    9   13   30 o  192.892   17.517   91.086   15.759   99.366   22.717   83.405   21.880  201.567   24.115  184.217   25.414 17.35022 35.03471 
1 1 1    9   13   31 o  254.078   15.773  152.431   16.461  147.249   19.046  167.734   32.727  248.181   16.420  259.975   26.936 -11.79411 31.54613 
1 1 1    9   13   32 o  145.941   11.351   44.956   7.1305   36.686   8.3318   67.591   13.784  124.143   14.361  167.740   17.584 -43.59672 22.70267 
1 1 1    9   13   33 o  190.051   11.687   87.647   10.079   91.409   12.976   81.927   16.001  195.897   14.174  184.205   18.587 11.69208 23.37453 
1 1 1    9   13   34 o  126.302   9.5798   38.088   5.5510   38.472   7.2189   37.531   8.6826  127.322   12.132  125.281   14.829 2.040680 19.15963 
1 1 1    9   13   35 f   73.322   10.354   12.174   3.4851   6.3571   4.4426   21.480   5.6195   51.654   16.389   94.991   12.658 -43.33707 20.70823 
1 1 1    9   13   36 o  191.301   19.956  110.698   14.186  134.240   17.192   60.474   25.111  236.147   15.578  146.454   36.747 89.69316 39.91271 
1 1 1    9   13   37 o  217.414   17.523  123.816   16.311  102.038   27.789  135.263   20.147  198.804   29.909  236.023   18.265 -37.21983 35.04519 
1 1 1    9   13   38 f  192.278   12.634   89.785   11.349   87.646   16.097   91.900   16.005  189.890   18.138  194.667   17.592 -4.776550 25.26782 
1 1 1    9   13   39 o  180.344   14.227   78.532   10.207   76.985   11.672   83.559   21.046  179.126   13.942  181.562   24.803 -2.435867 28.45307 
1 1 1    9   13   40 o  169.667   10.788   69.502   8.3853   68.941   10.828   70.342   13.253  169.380   13.679  169.954   16.685 -0.5739594 21.57584 
1 1 1    9   13   41 o  131.189   9.7890   40.603   5.9102   37.253   7.6054   45.710   9.3906  124.688   13.051  137.690   14.593 -13.00224 19.57795 
1 1 1    9   13   42 o  196.030   16.108   94.631   14.164  104.303   24.025   89.478   17.535  201.785   25.476  190.274   19.719 11.51106 32.21611 
1 1 1    9   13   43 o  191.480   26.915   94.807   24.086   0.0000   0.0000   94.807   24.086  ?   ?   191.480   26.915      ?      ? 
1 1 1    9   13   44 f  145.192   12.394   52.048   8.3092   58.540   11.473   44.885   12.051  155.413   15.795  134.971   19.104 20.44193 24.78833 
1 1 1    9   13   45 o   85.506   15.544   19.894   6.0222   21.489   7.2184   16.241   10.923   92.121   17.404   78.892   25.761 13.22919 31.08895 
1 1 1    9   13   46 o  204.647   17.003  107.771   13.773  108.144   15.851  106.624   27.825  210.475   16.115  198.818   29.945 11.65610 34.00612 
1 1 1    9   13   47 o   82.633   16.185   16.406   6.5307   10.463   8.2403   26.443   10.709   65.482   22.394   99.785   23.374 -34.30327 32.37050 
1 1 1    9   13   48 o  151.288   17.089   60.100   10.785   61.072   19.377   59.664   12.981  147.810   29.087  154.766   17.947 -6.955872 34.17794 
1 1 1    9   13   49 o   36.594   12.272  -7.9100   4.9137  -9.7884   5.8262  -3.2822   9.1449   28.227   13.745   44.962   20.335 -16.73501 24.54459 
1 1 1    9   13   50 o   93.028   16.011   25.975   7.1379   31.711   8.5585   12.868   12.937  113.122   16.188   72.935   27.628 40.18708 32.02111 
1 1 1    9   13   51 o   72.876   19.732   12.927   9.2209   12.517   15.142   13.168   11.625   73.785   29.337   71.967   26.397 1.818451 39.46485 
1 1 1    9   13   52 o  139.248   20.022   55.136   12.808   72.026   18.917   40.841   17.404  162.802   24.863  115.695   31.389 47.10772 40.04320 
1 1 1    9   13   53 o   45.489   14.356  -0.6889   5.4486  -0.7583   6.2881  -0.4798   10.915   39.581   17.446   51.397   22.803 -11.81675 28.71144 
1 1 1    9   13   54 o   48.959   14.965  -0.1584   5.4500  -2.6884   6.2542   7.8249   11.110   36.545   16.642   61.372   24.876 -24.82657 29.92951 
1 1 1    9   13   55 o   48.703   14.888   0.0088   5.3998  -2.3699   6.2036   7.4459   10.969   36.781   16.681   60.624   24.665 -23.84267 29.77626 
1 1 1    9   13   56 o   88.468   16.906   22.861   6.6204   23.081   7.6311   22.192   13.311   92.778   18.250   84.159   28.464 8.618843 33.81238 
1 1 1    9   13   57 o   57.221   15.901   7.2623   5.6895   5.7360   6.6908   11.248   10.812   50.509   19.677   63.934   24.983 -13.42487 31.80132 
1 1 1    9   13   58 o   54.318   14.850   7.1312   5.2234   7.8114   6.3496   5.7074   9.1869   54.684   19.585   53.953   22.328 0.7313881 29.70028 
1 1 1    9   13   59 o   58.700   14.359   9.9523   5.5097   14.348   6.5178  -1.0529   10.313   70.619   19.230   46.781   21.329 23.83781 28.71748 
1 1 1    9   13   60 o   61.924   15.643   11.328   5.4714   9.7905   6.6946   14.422   9.4954   57.606   20.160   66.242   23.924 -8.636189 31.28513 
1 1 1    9   13   61 o   55.143   14.558   6.9673   5.6871  -0.9349   7.7371   16.255   8.3878   40.312   18.416   69.974   22.553 -29.66219 29.11674 
1 1 1    9   13   62 o   54.852   15.004   8.4608   5.5687   12.809   8.3295   4.9462   7.4883   62.158   22.413   47.547   19.954 14.61095 30.00853 
1 1 1    9   13   63 f   59.612   17.349   10.341   7.2949   22.636   13.271   5.0173   8.7326   71.260   27.725   47.964   20.863 23.29630 34.69799 
1 1 1    9   14    0 o  545.810   46.399  763.103  160.977  763.103  160.977  763.103  160.977  545.810   65.619  545.810   65.619 -0.000000 0.000000 
1 1 1    9   14    1 o  329.033   17.547  257.191   26.981  253.885   38.135  260.506   38.178  326.883   24.962  331.182   24.666 -4.299561 35.09322 
1 1 1    9   14    2 o  123.726   12.316   35.190   6.6456   33.721   7.9875   38.494   11.979  119.798   14.267  127.653   20.079 -7.855270 24.63149 
1 1 1    9   14    3 o  262.975   15.359  163.716   18.871  167.998   26.662  159.417   26.713  266.470   21.409  259.481   22.028 6.988342 30.71784 
1 1 1    9   14    4 o  387.263   21.180  362.463   37.730  290.198   53.316  434.955   53.400  347.280   32.850  427.247   26.743 -79.96692 42.35981 
1 1 1    9   14    5 o  355.734   18.587  308.435   29.809  270.599   47.147  333.632   38.475  336.113   30.014  375.355   21.933 -39.24271 37.17380 
1 1 1    9   14    6 o  512.329   25.082  628.185   59.086  672.583   93.469  598.634   76.255  525.942   38.026  498.717   32.717 27.22491 50.16376 
1 1 1    9   14    7 o   87.203   9.2450   18.500   3.5150   16.661   5.6911   19.634   4.4693   82.882   15.255   91.524   10.449 -8.641472 18.48998 
1 1 1    9   14    8 o  304.625   20.898  223.509   27.917  218.077   48.357  226.224   34.190  300.529   34.430  308.720   23.697 -8.191101 41.79638 
1 1 1    9   14    9 o  695.691   45.963  1275.80  126.393  1225.96  252.829  1292.41  145.939  666.063   81.221  725.319   43.052 -59.25641 91.92580 
1 1 1    9   14   10 o  154.240   16.072   63.818   9.8490   41.704   16.929   75.132   12.109  129.687   28.692  178.793   14.492 -49.10573 32.14387 
1 1 1    9   14   11 f  306.557   20.005  222.450   24.863  228.992   49.754  220.273   28.704  307.843   34.582  305.270   20.119 2.572815 40.00910 
1 1 1    9   14   12 o  479.957   28.668  549.905   56.113  597.660  112.309  534.018   64.778  488.028   49.241  471.887   29.373 16.14142 57.33616 
1 1 1    9   14   13 o  608.589   40.725  920.861  101.374  1055.90  202.858  875.914  117.036  622.638   69.713  594.540   42.121 28.09760 81.44962 
1 1 1    9   14   14 o  344.993   22.612  281.619   31.833  305.214   63.709  273.768   36.750  351.242   38.811  338.744   23.213 12.49860 45.22314 
1 1 1    9   14   15 o  174.938   13.967   73.552   10.756   70.158   18.395   75.315   13.259  171.323   22.974  178.553   15.890 -7.230362 27.93337 
1 1 1    9   14   16 o  418.814   27.019  406.438   47.052  510.236   94.201  371.935   54.312  446.617   45.131  391.011   29.721 55.60574 54.03860 
1 1 1    9   14   17 o  132.822   11.632   41.029   6.3747   43.326   12.518   40.225   7.4071  134.899   19.856  130.744   12.122 4.155624 23.26402 
1 1 1    9   14   18 o  310.005   23.099  248.553   30.355  202.568   52.626  271.481   37.160  283.720   39.689  336.291   23.644 -52.57159 46.19788 
1 1 1    9   14   19 o  251.528   17.275  144.781   19.325  129.661   23.458  176.724   34.095  232.891   21.552  270.165   27.004 -37.27359 34.54976 
1 1 1    9   14   20 o  394.107   20.396  381.322   36.995  307.523   52.243  455.554   52.396  353.945   31.583  434.269   25.816 -80.32343 40.79169 
1 1 1    9   14   21 o  244.492   15.764  145.197   17.636  177.943   24.902  112.249   24.979  273.248   19.500  215.736   24.775 57.51208 31.52882 
1 1 1    9   14   22 o  343.061   18.706  286.949   29.271  292.706   37.780  278.303   46.297  348.855   23.172  337.268   29.372 11.58737 37.41213 
1 1 1    9   14   23 o  241.629   17.501  144.797   16.617  148.119   19.089  134.407   33.762  249.835   16.349  233.424   30.949 16.41063 35.00156 
1 1 1    9   14   24 o  289.860   15.851  202.816   20.998  203.860   27.079  201.242   33.256  291.755   19.859  287.964   24.711 3.790894 31.70182 
1 1 1    9   14   25 o   89.328   13.608   19.465   4.6626   19.500   5.2303   19.331   10.291   90.873   12.315   87.782   24.271 3.090691 27.21633 
1 1 1    9   14   26 o  153.793   17.406   63.907   10.564   71.335   12.665   46.927   19.150  173.122   15.654  134.465   31.093 38.65683 34.81149 
1 1 1    9   14   27 o  124.872   17.033   39.236   9.6594   44.358   13.243   33.413   14.121  135.480   20.915  114.264   26.890 21.21578 34.06624 
1 1 1    9   14   28 f  199.510   18.153   97.815   16.919  101.312   24.301   94.526   23.570  202.989   25.616  196.031   25.727 6.958588 36.30512 
1 1 1    9   14   29 o   71.679   18.562   12.809   6.2675   12.809   6.2675   0.0000   0.0000   71.679   18.562  ?   ?       ?      ? 
1 1 1    9   14   30 o  144.711   13.277   50.030   8.6314   48.877   10.763   52.108   14.449  142.979   16.107  146.443   21.112 -3.464401 26.55450 
1 1 1    9   14   31 o  110.537   15.737   29.216   8.1299   29.216   8.1299   0.0000   0.0000  110.537   15.737  ?   ?       ?      ? 
1 1 1    9   14   32 o  191.771   11.676   88.777   10.201   90.511   13.131   86.136   16.202  194.759   14.427  188.784   18.364 5.974899 23.35287 
1 1 1    9   14   33 o  193.937   15.875   98.517   11.842  103.912   13.636   81.967   23.882  208.594   13.988  179.281   28.504 29.31340 31.75079 
1 1 1    9   14   34 o   71.497   11.981   12.813   4.2762   6.1123   6.1371   19.136   5.9617   53.611   19.249   89.383   14.272 -35.77175 23.96258 
1 1 1    9   14   35 f  182.604   12.553   81.756   10.432   60.377   14.580  104.186   14.934  157.016   19.868  208.191   15.349 -51.17453 25.10632 
1 1 1    9   14   36 o   74.457   13.765   13.074   4.6311   17.453   8.1248   10.967   5.6364   82.760   20.978   66.154   17.828 16.60683 27.53034 
1 1 1    9   14   37 o   80.596   11.267   17.880   4.0242   23.916   5.2067   8.9258   6.3418  100.376   11.099   60.816   19.612 39.56022 22.53447 
1 1 1    9   14   38 f   84.372   10.586   17.153   4.0189   15.960   5.1779   18.960   6.3736   81.568   13.583   87.176   16.241 -5.607491 21.17267 
1 1 1    9   14   39 o   82.206   12.118   17.015   4.5060   14.956   6.2522   19.240   6.5000   76.743   17.780   87.669   16.469 -10.92511 24.23599 
1 1 1    9   14   40 o   53.885   12.342   6.9477   3.5893   8.1886   4.8986   5.5091   5.2743   57.447   17.029   50.322   17.868 7.124676 24.68309 
1 1 1    9   14   41 f  124.187   12.213   37.620   7.0810   38.006   10.271   37.271   9.7753  124.684   17.626  123.689   16.910 0.9946060 24.42655 
1 1 1    9   14   42 o   52.669   10.470   6.2593   3.3398   12.281   4.4608  -1.4225   5.0382   70.327   14.064   35.012   15.515 35.31537 20.94021 
1 1 1    9   14   43 o  103.698   15.594   33.658   6.2742   38.305   7.0522   16.012   13.742  126.656   11.914   80.739   28.823 45.91698 31.18851 
1 1 1    9   14   44 o   65.168   13.689   10.173   4.4591   7.4533   5.7116   14.417   7.1358   55.782   18.646   74.553   20.046 -18.77025 27.37752 
1 1 1    9   14   45 o  256.805   19.373  170.033   22.021  161.888   26.941  186.426   38.223  252.184   22.859  261.425   31.285 -9.240494 38.74607 
1 1 1    9   14   46 f   73.740   25.682   13.630   10.858   0.0000   0.0000   13.630   10.858  ?   ?    73.740   25.682      ?      ? 
1 1 1    9   14   47 o   59.640   19.982   8.7249   6.5595   0.0000   0.0000   8.7249   6.5595  ?   ?    59.640   19.982      ?      ? 
1 1 1    9   14   48 o   48.851   20.993   0.9516   8.6301   0.0000   0.0000   0.9516   8.6301  ?   ?    48.851   20.993      ?      ? 
1 1 1    9   14   49 o   98.410   15.934   23.428   7.0611   15.638   8.6781   38.689   12.146   76.317   22.675  120.502   22.392 -44.18472 31.86803 
1 1 1    9   14   50 o   53.010   24.481  -6.3754   14.195  -6.3754   14.195   0.0000   0.0000   53.010   24.481  ?   ?       ?      ? 
1 1 1    9   14   51 o  199.509   17.469  106.342   15.384  102.956   18.872  113.049   26.561  199.387   20.252  199.631   28.469 -0.2436676 34.93769 
1 1 1    9   14   52 o  159.045   18.923   79.049   10.906   86.886   12.594   55.551   21.808  187.457   14.376  130.633   35.009 56.82440 37.84603 
1 1 1    9   14   53 o  148.007   12.350   57.243   8.2872   61.446   10.818   51.273   12.893  156.615   14.780  139.398   19.790 17.21719 24.70017 
1 1 1    9   14   54 o   58.881   15.869   8.1395   6.0419   7.8870   9.0542   8.3422   8.1122   58.989   22.915   58.774   21.959 0.2146835 31.73764 
1 1 1    9   14   55 o  133.595   18.483   55.622   10.201   60.876   12.266   43.838   18.369  153.518   17.096  113.672   32.775 39.84627 36.96582 
1 1 1    9   14   56 f   91.830   14.162   24.583   5.9706   28.894   7.8026   18.494   9.2743  105.468   15.830   78.192   23.488 27.27541 28.32469 
1 1 1    9   14   57 o  100.144   15.173   29.217   6.8839   32.388   9.4273   25.594   10.076  107.991   19.392   92.297   23.343 15.69353 30.34685 
1 1 1    9   14   58 o   38.956   12.183  -0.7696   4.5955   2.8112   5.7364  -7.1848   7.6781   42.693   17.654   35.218   16.795 7.474331 24.36653 
1 1 1    9   14   59 o   59.457   15.223   10.247   5.7880   4.9919   8.3251   15.163   8.0528   49.745   20.966   69.170   22.078 -19.42513 30.44680 
1 1 1    9   14   60 o   77.288   17.997   20.013   7.3806   14.933   9.2323   29.010   12.286   66.398   23.634   88.179   27.147 -21.78136 35.99350 
1 1 1    9   14   61 o   49.526   15.125   5.0754   6.4176   6.9332   7.9638   1.6344   10.838   51.262   20.954   47.790   21.818 3.472176 30.25061 
1 1 1    9   14   62 o   46.014   15.029   0.8908   7.5267  -3.8304   12.921   3.3154   9.2598   45.276   21.646   46.751   20.856 -1.475502 30.05869 
1 1 1    9   15    0 o  259.146   15.379  161.228   25.914  161.228   25.914  161.228   25.914  259.146   21.749  259.146   21.749 -0.000000 0.000000 
1 1 1    9   15    1 o  206.068   12.786  100.688   12.206  115.914   17.273   85.498   17.252  221.858   16.659  190.277   19.401 31.58070 25.57144 
1 1 1    9   15    2 o  545.986   45.406  778.588  115.543  838.360  163.426  718.851  163.379  569.395   61.414  522.577   66.896 46.81738 90.81158 
1 1 1    9   15    3 o  172.451   15.060   74.738   11.081   58.611   18.908   83.173   13.675  156.890   25.788  188.013   15.563 -31.12265 30.11995 
1 1 1    9   15    4 o  454.699   34.104  545.560   65.308  601.927   80.009  433.025  113.050  499.095   34.301  410.304   58.955 88.79105 68.20790 
1 1 1    9   15    5 o  375.182   20.045  336.858   35.140  344.188   49.696  329.529   49.694  379.362   28.030  371.002   28.661 8.359680 40.08905 
1 1 1    9   15    6 o  407.421   21.861  399.602   41.587  380.380   58.793  418.851   58.834  397.323   31.662  417.519   30.151 -20.19595 43.72154 
1 1 1    9   15    7 o  430.309   31.829  478.410   58.628  411.713  101.513  511.792   71.816  400.949   54.174  459.669   33.430 -58.72012 63.65828 
1 1 1    9   15    8 o  444.077   28.246  479.308   55.554  511.907   96.245  463.020   68.031  451.592   45.603  436.562   33.344 15.03012 56.49266 
1 1 1    9   15    9 o  323.294   25.319  285.872   30.561  203.093   61.152  313.429   35.283  283.369   46.176  363.219   20.785 -79.84976 50.63829 
1 1 1    9   15   10 o  589.611   40.534  921.657   94.959  920.323  189.965  922.101  109.640  569.694   71.349  609.528   38.489 -39.83429 81.06850 
1 1 1    9   15   11 o  182.433   12.612   76.944   9.3588   82.867   18.870   75.012   10.778  186.365   21.665  178.501   12.919 7.864777 25.22497 
1 1 1    9   15   12 o  280.300   18.801  186.370   23.326  199.938   40.581  179.675   28.506  286.448   30.313  274.151   22.248 12.29691 37.60170 
1 1 1    9   15   13 o  166.573   13.000   61.533   9.7363   83.142   16.820   50.644   11.940  186.988   19.248  146.159   17.480 40.82880 26.00039 
1 1 1    9   15   14 o  158.464   16.090   70.419   9.0950   45.217   18.119   78.908   10.516  133.836   29.740  183.092   12.289 -49.25658 32.17949 
1 1 1    9   15   15 o  433.454   26.069  447.954   46.396  513.135   92.857  426.268   53.561  447.428   44.407  419.480   27.321 27.94745 52.13805 
1 1 1    9   15   16 o  165.062   14.571   66.499   10.554   60.395   17.897   69.754   13.068  158.480   24.163  171.644   16.290 -13.16382 29.14172 
1 1 1    9   15   17 o  155.204   11.918   52.640   7.7324   67.336   15.476   47.751   8.9264  168.107   19.699  142.301   13.422 25.80559 23.83691 
1 1 1    9   15   18 o  123.623   12.557   38.557   5.9977   33.403   11.712   40.389   6.9827  116.221   22.375  131.026   11.403 -14.80444 25.11313 
1 1 1    9   15   19 o  281.122   14.886  193.769   18.858  168.309   29.733  210.900   24.390  264.278   24.074  297.966   17.515 -33.68848 29.77102 
1 1 1    9   15   20 o   70.607   10.842   12.111   3.4902   9.1467   4.7354   15.636   5.1642   61.046   16.294   80.169   14.308 -19.12358 21.68433 
1 1 1    9   15   21 o  256.703   15.427  158.739   18.446  173.320   26.085  144.154   26.088  268.860   20.760  244.547   22.827 24.31241 30.85482 
1 1 1    9   15   22 o   75.164   10.625   13.408   3.6536   10.295   4.8752   17.397   5.5185   64.577   16.185   85.752   13.770 -21.17569 21.25032 
1 1 1    9   15   23 o  155.731   17.926   60.984   12.495   67.233   16.815   53.278   18.672  166.854   21.563  144.608   28.642 22.24509 35.85127 
1 1 1    9   15   24 o  360.479   29.132  343.774   48.751  301.122   68.560  387.398   69.336  335.135   43.773  385.823   38.453 -50.68848 58.26432 
1 1 1    9   15   26 o  147.315   22.381   52.741   15.409   52.741   15.409   0.0000   0.0000  147.315   22.381  ?   ?       ?      ? 
1 1 1    9   15   27 o  314.994   22.930  246.773   32.125  234.311   39.424  271.401   55.421  307.043   27.474  322.945   36.720 -15.90244 45.86047 
1 1 1    9   15   28 o  110.215   15.191   28.969   7.8248   28.969   7.8248   0.0000   0.0000  110.215   15.191  ?   ?       ?      ? 
1 1 1    9   15   29 o  189.227   12.303   86.474   10.803   75.536   15.363   97.174   15.195  176.965   18.576  201.490   16.136 -24.52528 24.60534 
1 1 1    9   15   30 o   70.913   12.238   12.225   4.1131   17.430   6.1586   8.0346   5.5262   83.920   16.290   57.907   18.269 26.01308 24.47682 
1 1 1    9   15   31 o  168.175   9.7084   64.806   7.4678   50.536   9.5895   86.795   11.904  145.480   14.104  190.870   13.345 -45.39018 19.41675 
1 1 1    9   15   32 o   79.608   13.439   17.524   4.3764   19.181   4.9112   11.136   9.6436   89.865   11.694   69.351   24.200 20.51405 26.87743 
1 1 1    9   15   33 o  171.724   12.528   71.647   10.044   68.667   14.282   74.563   14.128  168.015   18.189  175.434   17.232 -7.418777 25.05538 
1 1 1    9   15   34 o   67.396   13.959   11.296   4.3200   11.639   4.9872   10.266   8.6456   68.259   15.925   66.533   22.931 1.725601 27.91832 
1 1 1    9   15   35 o  215.305   13.972  114.085   13.951  128.370   19.605   99.432   19.857  229.749   18.259  200.861   21.153 28.88770 27.94344 
1 1 1    9   15   36 o  138.306   15.067   48.412   7.7584   48.724   8.8115   47.336   16.366  142.707   13.212  133.905   27.082 8.802139 30.13314 
1 1 1    9   15   37 o  105.558   12.481   24.969   5.1323   22.674   5.8040   33.202   10.991   97.321   12.761  113.795   21.453 -16.47440 24.96175 
1 1 1    9   15   38 o  247.819   15.774  154.892   18.073  180.507   25.687  129.782   25.432  269.627   20.384  226.011   24.078 43.61613 31.54762 
1 1 1    9   15   39 o  126.061   9.4315   37.949   5.4424   37.319   7.0002   38.913   8.6537  125.055   11.977  127.066   14.572 -2.010941 18.86303 
1 1 1    9   15   40 o   71.355   11.226   12.200   3.6299   9.0097   4.6701   17.068   5.7692   59.920   16.261   82.791   15.480 -22.87068 22.45115 
1 1 1    9   15   41 o   87.307   10.849   18.804   4.2172   19.182   5.4410   18.235   6.6741   89.513   13.006   85.100   17.369 4.413506 21.69891 
1 1 1    9   15   42 f  342.277   16.514  288.879   25.992  238.356   33.518  365.086   41.165  305.814   23.452  378.740   23.257 -72.92657 33.02818 
1 1 1    9   15   43 o   74.939   15.660   13.856   5.2737   13.226   6.0455   15.864   10.786   71.798   18.039   78.080   25.604 -6.281792 31.32066 
1 1 1    9   15   44 o  151.491   13.634   53.879   8.3704   50.824   9.5790   63.747   17.215  145.015   14.134  157.966   23.318 -12.95160 27.26725 
1 1 1    9   15   45 o   65.716   17.418   8.8606   7.5518   14.209   10.481   3.0857   10.891   74.465   25.257   56.966   23.994 17.49929 34.83680 
1 1 1    9   15   46 o  111.753   18.282   34.211   9.9873   49.423   14.291   19.689   13.963  138.539   22.072   84.966   29.150 53.57309 36.56361 
1 1 1    9   15   47 o  151.892   19.299   63.416   13.346   62.093   19.615   64.556   18.212  147.995   29.395  155.789   25.013 -7.794479 38.59732 
1 1 1    9   15   48 o  130.914   25.456   47.099   15.014   47.099   15.014   0.0000   0.0000  130.914   25.456  ?   ?       ?      ? 
1 1 1    9   15   49 f   60.035   15.888   6.8108   6.3380   1.1904   8.6011   13.489   9.3755   48.750   20.953   71.319   23.890 -22.56956 31.77670 
1 1 1    9   15   50 o   76.916   15.760   17.285   6.5545   22.633   8.0291   6.6016   11.349   92.637   19.177   61.194   25.014 31.44312 31.51922 
1 1 1    9   15   51 o   53.608   13.969   5.1683   5.1006  -1.0531   7.2449   11.282   7.1822   41.938   18.593   65.278   20.852 -23.34013 27.93762 
1 1 1    9   15   52 f   69.953   13.603   13.742   4.9222   18.570   6.5056   7.2765   7.5279   83.922   17.166   55.984   21.107 27.93849 27.20578 
1 1 1    9   15   53 o   53.841   14.924   6.1028   5.4147   7.8521   6.4641   1.9888   9.9132   56.075   19.795   51.608   22.338 4.467381 29.84712 
1 1 1    9   15   54 o   81.120   14.221   18.117   5.3420   17.107   7.1716   19.375   8.0065   78.867   19.554   83.372   20.655 -4.504677 28.44268 
1 1 1    9   15   55 o   58.578   15.007   9.5482   5.4666   12.035   6.2120   1.0115   11.510   65.464   19.113   51.692   23.142 13.77200 30.01469 
1 1 1    9   15   56 o   54.742   15.841   5.0336   7.0759   11.474   9.1383  -4.6098   11.182   63.635   23.395   45.850   21.364 17.78460 31.68135 
1 1 1    9   15   57 o   91.191   18.171   26.450   7.6520   27.890   14.444   25.888   9.0220   88.108   29.652   94.273   21.014 -6.165375 36.34278 
1 1 1    9   15   58 o   79.698   14.188   18.269   5.2911   13.571   6.8223   25.360   8.3815   66.905   20.156   92.491   19.974 -25.58550 28.37693 
1 1 1    9   15   59 o   55.490   14.840   7.3407   5.7667   15.772   8.5921   0.4294   7.7790   68.875   22.865   42.105   18.925 26.76968 29.68081 
1 1 1    9   15   60 o   74.706   14.623   17.006   5.1821   14.147   6.5754   21.693   8.4189   67.468   19.655   81.945   21.656 -14.47659 29.24550 
1 1 1    9   15   61 o   62.615   15.318   13.731   5.9020   17.018   7.3323   7.6827   9.9468   72.364   20.659   52.867   22.623 19.49660 30.63634 
1 1 1    9   15   62 o   62.931   25.458   16.655   11.611   16.655   11.611   0.0000   0.0000   62.931   25.458  ?   ?       ?      ? 
1 1 1    9   16    0 o  212.895   13.539  109.298   18.696  109.298   18.696  109.298   18.696  212.895   19.147  212.895   19.147 -0.000000 0.000000 
1 1 1    9   16    1 o  351.408   19.532  298.590   32.052  285.423   45.326  311.760   45.331  343.391   28.243  359.426   26.987 -16.03528 39.06339 
1 1 1    9   16    2 o  399.577   22.102  391.298   40.944  446.126   57.929  336.562   57.880  428.905   28.899  370.249   33.450 58.65652 44.20467 
1 1 1    9   16    3 f  532.767   29.080  715.223   72.268  667.948  102.182  762.537  102.223  513.780   42.555  551.753   39.643 -37.97308 58.15920 
1 1 1    9   16    4 o  210.938   14.148  101.940   12.241  114.309   24.580   97.861   14.116  218.265   24.097  203.611   14.834 14.65373 28.29677 
1 1 1    9   16    5 o  179.867   10.691   78.097   8.7004   68.669   13.663   84.527   11.284  170.258   17.171  189.475   12.743 -19.21675 21.38275 
1 1 1    9   16    6 f  126.419   13.716   42.635   6.4177   31.501   12.787   46.384   7.4199  112.372   24.994  140.467   11.303 -28.09506 27.43116 
1 1 1    9   16    7 o  146.230   12.937   50.672   8.2989   51.029   14.499   50.498   10.121  146.217   21.218  146.243   14.808 -0.2627563E-01 25.87422 
1 1 1    9   16    8 o  153.261   13.763   57.124   9.1575   52.384   15.900   59.477   11.202  147.851   23.010  158.671   15.106 -10.81909 27.52597 
1 1 1    9   16    9 o  374.940   25.749  347.610   42.514  355.797   73.654  343.519   52.063  374.415   42.092  375.465   29.670 -1.050018 51.49780 
1 1 1    9   16   10 o  203.793   15.207   97.049   13.771  106.376   23.895   92.410   16.851  210.334   24.308  197.252   18.280 13.08163 30.41461 
1 1 1    9   16   11 o  111.950   13.602   33.013   6.2714   23.522   10.764   37.890   7.7163   97.093   23.886  126.807   13.020 -29.71416 27.20445 
1 1 1    9   16   12 o  241.663   17.893  141.173   19.035  139.732   32.823  141.903   23.366  239.445   29.331  243.881   20.501 -4.436523 35.78553 
1 1 1    9   16   13 o  187.160   14.698   82.163   12.256   88.579   21.074   78.884   15.065  192.029   23.482  182.292   17.683 9.736374 29.39555 
1 1 1    9   16   14 o  165.109   18.507   69.699   13.155   42.091   18.665   96.952   18.544  128.540   31.351  201.679   19.675 -73.13930 37.01304 
1 1 1    9   16   15 o  405.474   29.158  416.625   51.984  425.247   90.016  412.311   63.675  402.812   47.816  408.137   33.383 -5.325653 58.31620 
1 1 1    9   16   16 o  180.863   14.375   77.369   11.533   80.764   19.867   75.644   14.164  183.215   23.202  178.511   16.977 4.704391 28.74986 
1 1 1    9   16   17 o  356.978   24.293  322.002   37.783  305.290   65.339  330.397   46.312  345.531   40.461  368.425   26.897 -22.89413 48.58554 
1 1 1    9   16   18 o  328.282   25.186  280.181   35.476  244.612   61.341  298.056   43.486  306.888   42.769  349.677   26.610 -42.78961 50.37112 
1 1 1    9   16   19 o  540.719   51.272  929.902  111.654  805.247  193.319  992.299  136.773  474.342   90.507  607.097   48.206 -132.7550 102.5443 
1 1 1    9   16   20 o  110.977   12.520   32.002   5.9105   21.136   9.0730   40.013   7.7902   91.852   21.514  130.102   12.812 -38.24996 25.03970 
1 1 1    9   16   21 o  114.309   14.122   31.963   7.3566   32.566   10.064   31.272   10.780  116.555   18.476  112.063   21.364 4.492012 28.24460 
1 1 1    9   16   22 o  289.058   35.960  214.967   48.579   0.0000   0.0000  214.967   48.579  ?   ?   289.058   35.960      ?      ? 
1 1 1    9   16   24 o  204.660   25.947  103.237   24.818   0.0000   0.0000  103.237   24.818  ?   ?   204.660   25.947      ?      ? 
1 1 1    9   16   25 o  227.533   18.550  128.552   19.407  157.223   27.915  101.730   27.000  253.409   23.571  201.657   28.649 51.75145 37.09903 
1 1 1    9   16   26 o  153.390   15.827   57.588   11.315   55.155   16.376   59.810   15.652  149.988   23.363  156.793   21.359 -6.805832 31.65497 
1 1 1    9   16   27 o   88.139   10.937   19.281   4.3106   23.437   5.9740   14.767   6.2261   99.377   12.863   76.901   17.692 22.47572 21.87363 
1 1 1    9   16   28 o  142.360   15.443   48.497   10.275   48.497   10.275   0.0000   0.0000  142.360   15.443  ?   ?       ?      ? 
1 1 1    9   16   29 o  289.879   21.693  209.990   27.975  239.489   48.579  195.355   34.218  301.004   34.533  278.755   26.266 22.24884 43.38697 
1 1 1    9   16   30 o  141.645   9.8824   47.287   6.4324   44.409   8.2693   51.697   10.236  136.492   12.963  146.798   14.920 -10.30630 19.76474 
1 1 1    9   16   31 o  110.010   15.945   34.279   7.3735   39.884   8.8539   21.593   13.320  128.930   14.694   91.091   28.303 37.83817 31.89040 
1 1 1    9   16   32 o  105.138   13.394   23.931   6.1407   14.008   7.4708   44.600   10.782   74.406   20.719  135.870   16.980 -61.46399 26.78762 
1 1 1    9   16   33 o   50.207   11.901   5.3572   3.3408   3.3117   4.4075   8.1196   5.1220   42.796   16.146   57.618   17.489 -14.82188 23.80252 
1 1 1    9   16   34 o   63.304   13.680   10.452   4.6011   4.1638   8.3736   13.172   5.5069   54.214   21.729   72.394   16.627 -18.18007 27.36074 
1 1 1    9   16   35 o   45.966   10.598   1.8853   3.4009  -5.4461   4.6485   10.329   4.9888   27.913   13.242   64.020   16.552 -36.10694 21.19699 
1 1 1    9   16   36 o  181.447   13.231   81.272   11.169   73.170   15.855   89.254   15.737  171.927   19.732  190.966   17.633 -19.03836 26.46292 
1 1 1    9   16   37 o  237.062   15.330  135.889   16.985  135.889   16.985   0.0000   0.0000  237.062   15.330  ?   ?       ?      ? 
1 1 1    9   16   38 o  150.459   14.426   60.052   8.2252   63.580   9.5627   50.019   16.126  163.052   12.549  137.865   25.980 25.18742 28.85246 
1 1 1    9   16   39 o   62.874   11.887  -0.0955   3.5440  -4.4992   3.8342   25.744   9.2875   25.405   12.044  100.344   20.497 -74.93903 23.77410 
1 1 1    9   16   40 o  159.980   13.818   62.803   8.5660   62.481   9.7231   63.920   18.105  161.521   12.880  158.440   24.451 3.081345 27.63632 
1 1 1    9   16   41 o  137.026   11.636   46.259   7.4016   50.604   10.280   41.581   10.666  144.191   15.254  129.861   17.574 14.33028 23.27119 
1 1 1    9   16   42 o  214.040   12.664  113.703   12.338  116.414   15.899  109.601   19.561  218.652   15.559  209.428   19.985 9.223526 25.32739 
1 1 1    9   16   43 o   91.735   13.710   21.657   5.6895   21.181   8.2193   22.095   7.8835   90.522   19.965   92.948   18.794 -2.425529 27.41930 
1 1 1    9   16   44 o   83.274   18.804   18.711   8.2687   17.539   11.620   19.912   11.768   81.017   26.576   85.532   26.609 -4.515755 37.60748 
1 1 1    9   16   45 o   67.876   17.453   10.172   7.5657   3.6271   10.752   16.591   10.648   57.067   23.928   78.685   25.416 -21.61766 34.90692 
1 1 1    9   16   46 o   61.985   24.576   7.3538   10.598   7.3538   10.598   0.0000   0.0000   61.985   24.576  ?   ?       ?      ? 
1 1 1    9   16   47 o   55.834   20.674   6.9080   7.1589   6.9080   7.1589   0.0000   0.0000   55.834   20.674  ?   ?       ?      ? 
1 1 1    9   16   48 o   81.958   14.941   19.284   5.7930   22.108   6.8401   12.121   10.895   94.411   15.502   69.505   25.546 24.90683 29.88150 
1 1 1    9   16   49 f  230.611   15.217  139.874   16.357  150.310   23.129  129.431   23.136  240.302   20.594  220.921   22.408 19.38127 30.43468 
1 1 1    9   16   50 o   42.462   18.333   0.5103   6.6430   0.0000   0.0000   0.5103   6.6430  ?   ?    42.462   18.333      ?      ? 
1 1 1    9   16   51 o  147.542   17.821   65.910   10.859   49.043   18.161   75.294   13.547  123.668   31.374  171.416   16.910 -47.74836 35.64102 
1 1 1    9   16   52 o   54.394   14.407   6.8306   4.9416   6.7351   7.1433   6.9182   6.8432   54.397   20.548   54.390   20.199 0.6359100E-02 28.81309 
1 1 1    9   16   53 o   85.514   14.837   20.407   5.9954   26.482   8.7296   14.984   8.2484   98.471   19.657   72.557   22.228 25.91486 29.67341 
1 1 1    9   16   54 o   79.150   16.110   18.968   6.2195   17.680   10.289   19.710   7.8073   75.321   25.022   82.979   20.299 -7.658112 32.22017 
1 1 1    9   16   55 f   99.182   12.984   26.378   5.8172   19.465   7.8063   35.010   8.7232   82.513   20.367  115.850   16.112 -33.33704 25.96890 
1 1 1    9   16   56 o   48.544   14.475   3.1786   5.1076   1.6134   6.0222   7.1895   9.6406   41.165   17.608   55.923   22.980 -14.75869 28.95037 
1 1 1    9   16   57 o   55.104   14.286   8.6797   4.8091   9.2324   6.2799   7.8958   7.4781   56.375   19.537   53.833   20.849 2.541885 28.57216 
1 1 1    9   16   58 o   70.270   15.596   16.082   5.7025   15.893   8.2782   16.251   7.8667   69.530   22.405   71.010   21.700 -1.480156 31.19106 
1 1 1    9   16   59 o   53.336   15.136   8.1003   5.6819   8.6930   7.0584   7.0091   9.5771   54.081   20.426   52.591   22.343 1.489887 30.27287 
1 1 1    9   16   60 o   55.036   15.281   8.7468   5.4634   6.5928   6.6754   13.117   9.5082   49.061   19.488   61.011   23.543 -11.95031 30.56184 
1 1 1    9   16   61 o   50.532   13.687   6.3549   5.6791   14.229   7.1407  -7.1980   9.3685   64.340   20.817   36.723   17.776 27.61741 27.37372 
1 1 1    9   17    0 o  108.577   10.861   29.299   7.3444   29.299   7.3444   29.299   7.3444  108.577   15.360  108.577   15.360 -0.000000 0.000000 
1 1 1    9   17    1 o  358.010   24.656  313.958   38.999  306.463   47.759  328.956   67.561  354.914   28.793  361.106   40.033 -6.192932 49.31201 
1 1 1    9   17    2 o  337.177   19.026  275.232   29.979  271.374   42.375  279.097   42.419  334.733   27.087  339.621   26.725 -4.888306 38.05217 
1 1 1    9   17    3 o  246.916   13.314  147.863   14.870  131.993   23.468  158.509   19.222  235.008   21.367  258.824   15.891 -23.81618 26.62847 
1 1 1    9   17    4 o  212.060   11.472  106.215   11.141  107.722   17.656  105.218   14.362  213.039   17.733  211.082   14.559 1.956787 22.94399 
1 1 1    9   17    5 o  308.297   20.985  244.573   25.201  207.392   50.395  256.971   29.100  287.932   37.450  328.663   18.945 -40.73114 41.96949 
1 1 1    9   17    6 o  320.611   16.599  252.452   23.999  222.216   37.932  272.633   30.989  302.922   26.794  338.299   19.600 -35.37674 33.19769 
1 1 1    9   17    7 o  244.621   16.406  142.222   16.244  146.604   32.570  140.772   18.741  245.477   28.390  243.766   16.450 1.711121 32.81178 
1 1 1    9   17    8 o  401.513   35.406  469.496   50.576  341.566  101.141  512.151   58.402  343.561   65.380  459.466   27.198 -115.9043 70.81138 
1 1 1    9   17    9 o  326.272   21.249  251.587   30.925  290.995   53.702  232.035   37.827  342.930   33.508  309.613   26.142 33.31711 42.49892 
1 1 1    9   17   10 o  405.327   26.517  403.875   43.569  430.777   87.224  394.932   50.293  407.134   45.841  403.520   26.668 3.613953 53.03401 
1 1 1    9   17   11 o  199.072   14.046   93.083   11.374   97.729   22.765   91.537   13.131  201.315   24.196  196.829   14.274 4.485703 28.09282 
1 1 1    9   17   12 o  206.424   14.666   96.181   13.576  123.231   23.605   82.810   16.595  226.493   22.300  186.354   19.055 40.13919 29.33190 
1 1 1    9   17   13 o  290.398   20.119  200.322   26.036  226.830   45.126  187.095   31.876  302.686   31.900  278.111   24.525 24.57452 40.23755 
1 1 1    9   17   14 o  221.428   16.142  115.856   15.923  126.092   27.421  110.649   19.558  227.724   25.765  215.132   19.452 12.59138 32.28336 
1 1 1    9   17   15 o  262.984   22.448  172.394   27.495  188.420   38.968  156.504   38.802  275.931   30.218  250.036   33.205 25.89511 44.89631 
1 1 1    9   17   16 o  449.809   30.174  501.753   60.924  648.386  105.594  428.583   74.591  492.315   45.894  407.302   39.186 85.01245 60.34702 
1 1 1    9   17   17 o  326.581   25.941  261.528   39.593   0.0000   0.0000  261.528   39.593  ?   ?   326.581   25.941      ?      ? 
1 1 1    9   17   18 o  217.426   19.104  113.564   19.412   0.0000   0.0000  113.564   19.412  ?   ?   217.426   19.104      ?      ? 
1 1 1    9   17   19 o  125.722   11.598   37.323   6.8145   0.0000   0.0000   37.323   6.8145  ?   ?   125.722   11.598      ?      ? 
1 1 1    9   17   20 o  247.802   21.896  148.917   25.358   0.0000   0.0000  148.917   25.358  ?   ?   247.802   21.896      ?      ? 
1 1 1    9   17   21 o  215.215   19.870  111.689   19.985   0.0000   0.0000  111.689   19.985  ?   ?   215.215   19.870      ?      ? 
1 1 1    9   17   22 o  141.939   15.629   49.142   10.337   46.947   14.971   51.142   14.289  138.641   23.105  145.238   21.052 -6.597214 31.25733 
1 1 1    9   17   23 f  113.805   15.476   32.959   7.9365   25.408   11.712   39.372   10.792   99.642   25.148  127.969   18.046 -28.32706 30.95284 
1 1 1    9   17   24 o  106.390   10.522   26.506   5.0956   24.974   6.4321   29.089   8.3503  102.533   13.423  110.246   16.207 -7.713173 21.04360 
1 1 1    9   17   25 o  276.096   20.189  185.684   24.913  170.847   30.559  215.088   43.018  262.631   24.897  289.561   31.789 -26.92975 40.37774 
1 1 1    9   17   26 o  143.207   13.953   49.568   8.6521   49.068   10.428   50.672   15.501  143.106   15.591  143.308   23.144 -0.2022705 27.90566 
1 1 1    9   17   27 o  112.942   11.539   26.910   5.6489   21.083   6.6398   42.180   10.748   93.776   15.150  132.109   17.409 -38.33246 23.07829 
1 1 1    9   17   28 o  114.871   23.728   33.955   12.317   33.955   12.317   0.0000   0.0000  114.871   23.728  ?   ?       ?      ? 
1 1 1    9   17   29 o  176.846   12.569   76.884   10.185   93.050   14.340   60.428   14.468  196.611   15.606  157.081   19.708 39.52980 25.13819 
1 1 1    9   17   30 o  235.346   18.467  143.395   18.745  128.562   32.385  150.870   22.988  222.240   31.180  248.453   19.798 -26.21294 36.93428 
1 1 1    9   17   31 o  118.004   10.281   33.435   5.6551   34.726   7.8248   32.024   8.1821  120.520   13.892  115.487   15.160 5.032944 20.56235 
1 1 1    9   17   32 o  187.484   12.218   85.631   10.651   95.302   15.067   75.973   15.058  198.511   16.241  176.456   18.259 22.05531 24.43696 
1 1 1    9   17   33 o  232.113   20.152  140.199   20.519  142.255   35.521  139.170   25.137  228.998   33.190  235.227   22.866 -6.228668 40.30426 
1 1 1    9   17   34 o  127.485   10.709   39.399   6.3554   38.067   9.3092   40.562   8.6978  125.240   15.905  129.730   14.346 -4.490105 21.41870 
1 1 1    9   17   35 o   78.671   11.729   16.803   4.1360   20.904   5.2433   10.047   6.7292   93.589   11.988   63.752   20.164 29.83653 23.45864 
1 1 1    9   17   36 o   59.285   11.983   7.9681   3.4955   5.2287   4.4041   12.631   5.7459   47.979   16.372   70.592   17.503 -22.61289 23.96664 
1 1 1    9   17   37 o  156.915   11.602   59.793   8.4919   64.853   12.167   54.987   11.858  163.562   15.917  150.269   16.884 13.29344 23.20413 
1 1 1    9   17   38 o  285.592   21.279  210.921   26.877  200.809   32.860  231.359   46.716  280.589   25.059  290.596   34.398 -10.00803 42.55803 
1 1 1    9   17   39 o  136.968   10.973   45.579   7.0206   44.557   9.7490   46.681   10.119  135.412   15.405  138.524   15.630 -3.111801 21.94546 
1 1 1    9   17   40 o  145.630   15.862   55.952   9.3866   58.065   11.236   51.070   17.079  154.286   15.582  136.974   27.632 17.31142 31.72320 
1 1 1    9   17   41 o  157.668   10.653   58.126   7.6933   49.266   9.7710   72.575   12.479  142.601   14.661  172.736   15.458 -30.13521 21.30503 
1 1 1    9   17   42 o   52.874   15.073   1.8062   6.4336   9.4192   8.5911  -7.9141   9.7077   63.541   22.779   42.208   19.745 21.33362 30.14571 
1 1 1    9   17   43 o   81.891   15.373   14.541   8.0892  -7.3601   11.547   35.646   11.336   47.165   21.886  116.617   21.594 -69.45168 30.74608 
1 1 1    9   17   44 o  165.480   27.315   74.415   21.125   74.415   21.125   0.0000   0.0000  165.480   27.315  ?   ?       ?      ? 
1 1 1    9   17   45 o   59.735   20.266   8.8043   6.7480   8.8043   6.7480   0.0000   0.0000   59.735   20.266  ?   ?       ?      ? 
1 1 1    9   17   46 o  125.727   18.581   40.077   10.918   40.077   10.918   0.0000   0.0000  125.727   18.581  ?   ?       ?      ? 
1 1 1    9   17   47 o   58.365   15.668   7.5482   5.9466   1.9263   10.829   9.9753   7.1154   54.303   23.426   62.428   20.811 -8.125164 31.33511 
1 1 1    9   17   48 o  114.263   13.563   34.081   6.9610   41.600   9.9775   26.952   9.7163  128.681   16.591   99.845   21.461 28.83627 27.12625 
1 1 1    9   17   49 o   79.764   14.846   17.815   6.0002   9.8200   8.7414   24.939   8.2511   62.626   22.902   96.902   18.898 -34.27589 29.69284 
1 1 1    9   17   50 o   84.038   14.613   19.688   5.9009   26.501   8.3738   12.967   8.3168   99.616   18.673   68.459   22.484 31.15725 29.22688 
1 1 1    9   17   51 o   45.344   14.039  -0.1510   5.8585   4.0055   6.9509 -10.3461   10.886   48.739   19.705   41.950   20.003 6.789536 28.07856 
1 1 1    9   17   52 o   55.652   14.049   6.7551   5.2214  -0.4906   7.6453   13.089   7.1481   42.941   19.066   68.362   20.640 -25.42011 28.09880 
1 1 1    9   17   53 o   90.554   13.697   22.729   5.5571   20.906   7.2367   25.347   8.6752   86.816   18.407   94.292   20.288 -7.476295 27.39383 
1 1 1    9   17   54 o   79.503   17.599   19.592   7.0949   19.853   8.6225   19.043   12.485   82.181   22.009   76.826   27.469 5.355522 35.19880 
1 1 1    9   17   55 o   97.201   20.919   27.742   9.2212   0.0000   0.0000   27.742   9.2212  ?   ?    97.201   20.919      ?      ? 
1 1 1    9   17   56 o   44.211   13.339   2.9016   4.8491   2.5067   7.2954   3.2141   6.4903   44.386   19.188   44.036   18.534 0.3505020 26.67707 
1 1 1    9   17   57 o   44.862   12.607   0.8395   4.7026   10.962   6.9246  -7.8249   6.4065   59.491   20.521   30.232   14.650 29.25871 25.21382 
1 1 1    9   17   58 o   58.590   14.261   10.461   4.9762   14.580   7.0082   6.2728   7.0670   67.800   20.430   49.380   19.902 18.41999 28.52117 
1 1 1    9   17   59 o   44.438   12.693   4.2037   4.3743   7.6781   5.7812  -0.4493   6.6904   50.946   18.626   37.929   17.249 13.01658 25.38595 
1 1 1    9   17   60 o   40.076   12.190   0.8661   4.8539   6.6812   5.8007 -12.7167   8.8653   47.809   18.405   32.343   15.987 15.46650 24.37914 
1 1 1    9   18    0 o  249.079   15.077  149.914   24.402  149.914   24.402  149.914   24.402  249.079   21.322  249.079   21.322 -0.000000 0.000000 
1 1 1    9   18    1 o  106.726   10.653   27.812   5.0234   20.392   7.1073   35.217   7.1009   91.214   17.306  122.238   12.430 -31.02359 21.30693 
1 1 1    9   18    2 o  187.480   15.311   86.316   12.470   78.438   21.542   90.286   15.292  179.931   25.617  195.029   16.777 -15.09846 30.62208 
1 1 1    9   18    3 o  444.914   20.491  468.142   41.862  604.109   66.283  377.925   53.992  497.154   28.528  392.672   29.421 104.4819 40.98102 
1 1 1    9   18    4 o  206.762   11.693  102.912   10.986   94.588   17.303  108.533   14.219  199.239   18.583  214.285   14.198 -15.04539 23.38587 
1 1 1    9   18    5 o  553.066   31.403  825.968   76.579  660.741  121.062  936.182   98.875  493.949   52.443  612.184   34.559 -118.2352 62.80564 
1 1 1    9   18    6 o  104.921   12.824   29.051   5.0734   22.421   10.201   31.230   5.8480   94.636   23.235  115.207   10.861 -20.57072 25.64857 
1 1 1    9   18    7 o  193.461   13.816   88.462   12.492   0.0000   0.0000   88.462   12.492  ?   ?   193.461   13.816      ?      ? 
1 1 1    9   18    8 o   86.853   12.835   19.991   4.8714   13.281   8.2742   23.551   6.0265   73.825   22.188   99.881   12.910 -26.05621 25.67072 
1 1 1    9   18    9 o  377.432   22.113  329.730   34.635  408.607   69.412  303.581   39.966  400.964   37.041  353.899   24.164 47.06473 44.22607 
1 1 1    9   18   10 o  182.154   14.120   77.968   11.382   84.617   19.871   74.722   13.885  187.126   22.722  177.182   16.768 9.944199 28.23943 
1 1 1    9   18   11 o   83.172   11.545   15.344   4.2746   23.092   7.3439   11.374   5.2568   98.546   15.946   67.797   16.700 30.74918 23.09036 
1 1 1    9   18   12 o  236.079   16.478  132.792   18.180   0.0000   0.0000  132.792   18.180  ?   ?   236.079   16.478      ?      ? 
1 1 1    9   18   13 f  261.649   22.000  165.796   26.901   0.0000   0.0000  165.796   26.901  ?   ?   261.649   22.000      ?      ? 
1 1 1    9   18   14 o  224.576   18.855  121.093   19.789   0.0000   0.0000  121.093   19.789  ?   ?   224.576   18.855      ?      ? 
1 1 1    9   18   15 o  132.539   14.439   41.718   8.9439   0.0000   0.0000   41.718   8.9439  ?   ?   132.539   14.439      ?      ? 
1 1 1    9   18   16 o  358.699   29.852  321.729   50.043   0.0000   0.0000  321.729   50.043  ?   ?   358.699   29.852      ?      ? 
1 1 1    9   18   17 o  344.349   43.086  318.176   69.339   0.0000   0.0000  318.176   69.339  ?   ?   344.349   43.086      ?      ? 
1 1 1    9   18   18 o  173.608   23.014   73.505   18.672   0.0000   0.0000   73.505   18.672  ?   ?   173.608   23.014      ?      ? 
1 1 1    9   18   19 o  270.344   23.811  187.516   30.073  182.995   42.657  191.983   42.403  266.708   34.222  273.980   33.115 -7.271851 47.62151 
1 1 1    9   18   20 o  319.676   36.388  310.072   48.795  156.599   69.024  463.393   68.990  216.467   63.857  422.884   34.908 -206.4178 72.77559 
1 1 1    9   18   21 o  219.221   14.288  116.937   14.569  128.462   20.482  105.134   20.728  230.655   19.000  207.787   21.345 22.86758 28.57660 
1 1 1    9   18   22 o  197.167   14.065   94.562   12.912  102.831   18.167   86.120   18.356  206.273   18.845  188.061   20.885 18.21223 28.13071 
1 1 1    9   18   23 o   97.130   10.070   22.823   4.3931   18.037   6.0719   28.081   6.3639   85.510   15.775  108.751   12.521 -23.24164 20.14027 
1 1 1    9   18   24 o   91.069   9.0366   19.755   3.7902   19.571   5.8633   19.887   4.9677   90.564   13.853   91.575   11.608 -1.010582 18.07319 
1 1 1    9   18   25 o  117.921   15.995   37.837   7.5074   41.111   8.8012   29.094   14.384  131.050   14.370  104.791   28.581 26.25916 31.99035 
1 1 1    9   18   26 o  192.848   14.617   86.543   12.420   77.482   14.931  106.896   22.379  178.579   17.890  207.117   23.120 -28.53822 29.23338 
1 1 1    9   18   27 f  129.164   13.593   42.096   7.3963   38.672   12.797   43.814   9.0636  123.068   23.097  135.260   14.338 -12.19209 27.18561 
1 1 1    9   18   28 o  294.329   19.561  220.550   26.891  212.204   37.967  228.951   38.094  288.286   28.180  300.373   27.136 -12.08694 39.12141 
1 1 1    9   18   29 o  209.549   14.514  107.951   14.209  109.919   19.972  105.934   20.219  211.651   20.191  207.448   20.855 4.203003 29.02819 
1 1 1    9   18   30 o  124.180   10.625   37.096   6.1378   32.552   8.5194   42.000   8.8504  116.112   15.700  132.248   14.320 -16.13624 21.24913 
1 1 1    9   18   31 o  102.315   10.463   25.245   4.9994   23.983   7.0089   26.551   7.1332   99.659   15.048  104.971   14.540 -5.312233 20.92555 
1 1 1    9   18   32 o  114.937   14.772   32.329   8.0827   7.5553   10.574   67.149   12.536   63.625   24.750  166.248   16.135 -102.6228 29.54471 
1 1 1    9   18   33 o   95.105   13.190   23.325   5.4496   25.012   6.7829   20.253   9.1532  101.935   14.238   88.274   22.207 13.66168 26.37907 
1 1 1    9   18   34 o  231.590   14.518  133.528   15.600  115.482   21.955  151.931   22.171  214.822   21.868  248.358   19.102 -33.53548 29.03599 
1 1 1    9   18   35 o   89.937   17.942   21.511   7.9008   23.587   10.595   18.909   11.859   94.777   23.918   85.096   26.750 9.681351 35.88378 
1 1 1    9   18   36 o  110.127   13.537   26.653   6.4590   17.196   7.8277   46.830   11.433   81.787   20.515  138.467   17.668 -56.67960 27.07393 
1 1 1    9   18   37 o   48.132   11.504   3.5018   3.2674   0.0308   4.0630   9.8549   5.4969   33.763   14.454   62.501   17.902 -28.73745 23.00877 
1 1 1    9   18   38 o   61.700   12.966   9.4016   4.0029   7.8030   5.2960   11.532   6.1136   56.322   17.896   67.077   18.765 -10.75581 25.93117 
1 1 1    9   18   39 o   85.363   13.401   18.637   5.4338   26.081   7.7400   11.403   7.6304  103.402   16.017   67.323   21.491 36.07868 26.80295 
1 1 1    9   18   40 o   55.286   15.406   4.9294   5.5036   3.9674   6.6346   7.0520   9.8551   49.434   19.494   61.137   23.863 -11.70300 30.81296 
1 1 1    9   18   41 o   94.356   16.280   25.526   7.1155   16.371   12.887   29.541   8.5344   79.316   27.955  109.397   16.693 -30.08101 32.55973 
1 1 1    9   18   42 o  144.722   19.625   58.111   12.789   56.899   18.164   59.303   18.009  142.810   28.216  146.633   27.283 -3.822968 39.24957 
1 1 1    9   18   43 f  155.117   16.784   59.780   12.167   59.780   12.167   0.0000   0.0000  155.117   16.784  ?   ?       ?      ? 
1 1 1    9   18   44 o  237.968   22.358  148.086   24.865  148.086   24.865   0.0000   0.0000  237.968   22.358  ?   ?       ?      ? 
1 1 1    9   18   45 o  152.749   18.714   59.364   13.360   59.364   13.360   0.0000   0.0000  152.749   18.714  ?   ?       ?      ? 
1 1 1    9   18   46 o   90.385   16.938   22.518   7.1468   21.531   9.1548   24.057   11.436   88.779   22.140   91.991   25.640 -3.211945 33.87625 
1 1 1    9   18   47 o   98.102   13.646   24.782   6.1054   18.244   8.1503   33.141   9.2161   81.826   21.157  114.379   17.241 -32.55335 27.29194 
1 1 1    9   18   48 o  132.238   16.111   50.297   9.0029   40.570   14.881   55.914   11.307  116.134   27.789  148.342   16.310 -32.20808 32.22118 
1 1 1    9   18   49 o   89.476   14.076   21.579   5.7440   17.751   7.7728   26.185   8.5260   80.173   20.626   98.778   19.160 -18.60510 28.15223 
1 1 1    9   18   50 o  108.357   13.107   30.943   6.4701   34.687   9.3630   27.521   8.9510  115.972   17.275  100.743   19.717 15.22842 26.21453 
1 1 1    9   18   51 o  133.915   11.921   47.255   7.2730   49.296   9.4766   44.332   11.345  139.258   14.561  128.573   18.880 10.68521 23.84276 
1 1 1    9   18   52 o  109.133   14.030   33.212   7.0059   35.457   10.099   31.130   9.7272  113.893   18.973  104.374   20.672 9.518440 28.05942 
1 1 1    9   18   53 o   60.271   14.371   9.9669   4.8191   8.3082   6.6097   11.849   7.0413   56.022   19.991   64.519   20.650 -8.496494 28.74143 
1 1 1    9   18   54 o   95.087   15.364   33.688   7.0761   40.607   8.1746   13.006   14.133  125.119   13.980   65.055   27.363 60.06366 30.72723 
1 1 1    9   18   55 o   66.130   14.381   13.625   4.9573   15.297   6.4872   11.278   7.6855   71.735   19.035   60.525   21.561 11.21074 28.76137 
1 1 1    9   18   56 o   71.761   15.435   16.403   5.8071   22.570   8.7005   11.448   7.7983   83.579   21.981   59.942   21.676 23.63716 30.87047 
1 1 1    9   18   57 o   56.016   16.020   7.0476   7.3452   17.708   10.348  -3.7784   10.428   69.587   24.994   42.445   20.045 27.14174 32.03910 
1 1 1    9   18   58 f   44.640   13.948   1.6221   5.7095  -2.7587   7.3716   8.1905   9.0264   36.706   17.183   52.573   21.975 -15.86668 27.89513 
1 1 1    9   19    0 o  284.404   15.625  195.661   28.963  195.661   28.963  195.661   28.963  284.404   22.097  284.404   22.097 -0.000000 0.000000 
1 1 1    9   19    1 o  265.114   15.650  170.177   19.369  179.464   27.417  160.926   27.366  272.587   21.521  257.642   22.728 14.94452 31.30056 
1 1 1    9   19    2 o  241.864   13.852  146.779   14.842  115.450   23.443  167.737   19.174  218.107   22.998  265.621   15.446 -47.51340 27.70382 
1 1 1    9   19    3 o  149.403   10.726   55.792   7.0531   42.822   11.217   64.273   9.0704  133.797   17.939  165.010   11.762 -31.21300 21.45105 
1 1 1    9   19    4 o  170.554   14.106   73.821   9.3736   62.710   18.820   77.486   10.810  160.103   25.152  181.005   12.779 -20.90179 28.21197 
1 1 1    9   19    5 o  230.714   14.766  119.992   14.161  147.656   28.350  110.794   16.347  245.804   24.679  215.623   16.222 30.18156 29.53276 
1 1 1    9   19    6 o  221.103   14.550  116.080   15.035   0.0000   0.0000  116.080   15.035  ?   ?   221.103   14.550      ?      ? 
1 1 1    9   19    7 f  218.323   14.262  113.130   14.552   0.0000   0.0000  113.130   14.552  ?   ?   218.323   14.262      ?      ? 
1 1 1    9   19    8 o  114.678   13.647   31.176   7.3139   0.0000   0.0000   31.176   7.3139  ?   ?   114.678   13.647      ?      ? 
1 1 1    9   19    9 o   50.676   16.130   6.0233   4.3006   0.0000   0.0000   6.0233   4.3006  ?   ?    50.676   16.130      ?      ? 
1 1 1    9   19   10 o  206.127   18.339  101.902   17.666   0.0000   0.0000  101.902   17.666  ?   ?   206.127   18.339      ?      ? 
1 1 1    9   19   12 o  271.813   33.251  187.892   42.240   0.0000   0.0000  187.892   42.240  ?   ?   271.813   33.251      ?      ? 
1 1 1    9   19   14 o  287.666   35.657  214.069   47.938  214.069   47.938   0.0000   0.0000  287.666   35.657  ?   ?       ?      ? 
1 1 1    9   19   15 o  212.723   27.300  112.603   27.141  112.603   27.141   0.0000   0.0000  212.723   27.300  ?   ?       ?      ? 
1 1 1    9   19   16 o  286.121   35.727  213.138   47.774  213.138   47.774   0.0000   0.0000  286.121   35.727  ?   ?       ?      ? 
1 1 1    9   19   17 o  310.406   26.982  255.313   39.079  271.059   55.399  239.718   55.134  321.109   36.916  299.703   39.363 21.40570 53.96465 
1 1 1    9   19   18 o  187.500   14.433   85.178   11.952   86.040   20.571   84.739   14.685  187.042   23.533  187.958   16.717 -0.9160156 28.86640 
1 1 1    9   19   19 o  214.929   14.260  104.162   12.717  130.733   25.613   95.468   14.650  230.154   23.812  199.704   15.697 30.45001 28.51994 
1 1 1    9   19   20 o  129.163   15.588   50.604   7.2449   26.653   14.419   58.693   8.3794  100.914   29.022  157.412   11.390 -56.49715 31.17667 
1 1 1    9   19   21 o  127.992   11.945   39.204   6.1976   40.106   12.366   38.901   7.1620  127.981   20.674  128.003   11.972 -0.2185822E-01 23.89058 
1 1 1    9   19   22 o  203.798   11.344  101.717   10.507   91.511   16.397  108.827   13.685  194.164   18.070  213.433   13.720 -19.26924 22.68820 
1 1 1    9   19   23 o  120.195   9.4404   35.451   5.1347   29.608   7.8913   39.740   6.7619  110.981   15.215  129.409   11.180 -18.42849 18.88081 
1 1 1    9   19   24 o   72.320   10.100   12.778   3.2585   14.006   5.0605   11.908   4.2589   75.168   14.931   69.472   13.604 5.696465 20.19950 
1 1 1    9   19   25 o  235.349   13.408  134.464   14.462  136.967   22.856  132.792   18.677  236.260   20.699  234.438   17.046 1.822403 26.81509 
1 1 1    9   19   26 o  127.737   12.140   35.420   6.8522   54.164   12.367   27.117   8.2311  149.480   17.703  105.994   16.616 43.48586 24.27957 
1 1 1    9   19   27 o   61.780   12.561   9.5454   3.7378   9.8942   4.6565   8.9135   6.2676   62.859   15.853   60.701   19.488 2.158154 25.12206 
1 1 1    9   19   28 o  128.759   14.114   41.958   7.6478   39.827   13.374   42.993   9.3222  123.957   23.954  133.561   14.935 -9.604523 28.22800 
1 1 1    9   19   29 o  151.059   18.536   60.751   12.479   47.489   18.162   72.610   17.175  131.713   30.154  170.405   21.566 -38.69154 37.07242 
1 1 1    9   19   30 o   75.753   11.426   14.153   4.0152   10.540   5.5202   18.211   5.8508   64.581   17.744   86.925   14.402 -22.34424 22.85298 
1 1 1    9   19   31 o   90.785   14.796   20.685   5.4626   20.607   6.2243   20.946   11.396   92.499   14.398   89.071   25.853 3.427727 29.59216 
1 1 1    9   19   32 o  205.850   14.716   98.586   13.642   80.714   16.774  133.505   23.447  180.630   19.870  231.069   21.712 -50.43877 29.43214 
1 1 1    9   19   33 o  122.508   15.064   37.579   7.5556   37.086   8.9197   38.831   14.216  123.827   15.413  121.190   25.886 2.636658 30.12739 
1 1 1    9   19   34 o  196.117   17.024   97.327   14.480   97.232   17.560   97.530   25.595  198.894   18.892  193.340   28.326 5.554077 34.04823 
1 1 1    9   19   35 o   69.651   15.392   10.144   4.7681   8.2284   5.3604   17.401   10.435   57.759   17.957   81.544   25.005 -23.78516 30.78449 
1 1 1    9   19   36 o   47.573   11.537   4.6303   3.5098   8.3979   4.5557  -0.8713   5.5052   57.722   16.217   37.425   16.415 20.29629 23.07467 
1 1 1    9   19   37 o   67.028   14.632   8.9419   5.5516   19.906   8.8464   1.8189   7.1304   87.198   21.774   46.857   19.554 40.34078 29.26498 
1 1 1    9   19   38 o   98.844   15.441   26.272   6.6970   28.395   8.1483   21.853   11.756  107.749   16.181   89.939   26.304 17.81019 30.88218 
1 1 1    9   19   39 o  127.070   19.073   44.281   10.981   40.192   15.344   48.574   15.723  120.295   27.843  133.845   26.074 -13.54990 38.14527 
1 1 1    9   19   40 o  104.023   19.316   30.286   9.5167   28.820   13.367   31.792   13.552  101.337   27.516  106.708   27.118 -5.371353 38.63292 
1 1 1    9   19   41 f   52.010   19.269   5.7614   6.2204   5.7614   6.2204   0.0000   0.0000   52.010   19.269  ?   ?       ?      ? 
1 1 1    9   19   42 o  108.619   13.242   28.698   6.7219   28.698   6.7219   0.0000   0.0000  108.619   13.242  ?   ?       ?      ? 
1 1 1    9   19   43 f  126.701   17.740   40.447   10.505   40.447   10.505   0.0000   0.0000  126.701   17.740  ?   ?       ?      ? 
1 1 1    9   19   44 o   71.465   16.593   11.339   6.5315   5.3954   8.1255   22.191   10.980   54.239   21.514   88.692   25.267 -34.45365 33.18539 
1 1 1    9   19   45 o  106.936   18.561   31.386   8.5241   29.506   10.046   36.222   16.110  104.709   21.254  109.162   30.435 -4.453606 37.12147 
1 1 1    9   19   46 o   80.133   17.111   19.721   7.1017   22.857   8.0994   9.2922   14.770   92.427   19.370   67.839   28.211 24.58865 34.22104 
1 1 1    9   19   47 o   42.803   13.929  -7.1267   5.4624 -11.0266   6.2876   4.8741   11.030   28.537   13.978   57.068   24.097 -28.53136 27.85785 
1 1 1    9   19   48 o   41.944   13.989  -3.9170   5.0817  -4.0046   5.5385  -3.4504   12.779   32.484   15.102   51.404   23.552 -18.91989 27.97787 
1 1 1    9   19   49 o   58.680   15.104   8.4804   4.9609   8.1734   5.7966   9.3211   9.5912   55.978   18.784   61.381   23.656 -5.402523 30.20708 
1 1 1    9   19   50 o   58.810   12.723   5.8106   4.4510  -1.3396   5.5137   19.188   7.5417   35.399   15.920   82.222   19.852 -46.82267 25.44655 
1 1 1    9   19   51 o   59.325   14.124   8.9478   4.5380   6.4755   5.6722   13.344   7.5640   50.861   18.472   67.789   21.372 -16.92842 28.24814 
1 1 1    9   19   52 o   70.978   14.025   14.860   4.8784   16.626   6.2181   12.033   7.8677   77.646   17.548   64.311   21.883 13.33504 28.04994 
1 1 1    9   19   53 o   52.027   13.986   6.7651   5.1667   0.1206   8.3099   10.952   6.5968   43.385   19.525   60.669   20.030 -17.28394 27.97134 
1 1 1    9   19   54 o   81.751   13.624   20.113   5.0972   21.271   6.7141   18.536   7.8311   86.558   17.204   76.944   21.131 9.613739 27.24851 
1 1 1    9   19   55 o   80.131   13.878   20.281   5.7889   10.453   8.3137   29.530   8.0654   57.689   22.076  102.573   16.825 -44.88419 27.75692 
1 1 1    9   19   56 o   36.543   11.961  -3.4961   4.7442   2.1477   7.5634  -7.1570   6.0916   43.412   19.135   29.674   14.356 13.73873 23.92147 
1 1 1    9   19   57 o   66.843   13.480   14.843   5.1794   22.551   7.0186   5.6264   7.6749   86.228   17.998   47.458   20.074 38.77028 26.96049 
1 1 1    9   20    1 o  146.278   21.033   51.780   14.379   0.0000   0.0000   51.780   14.379  ?   ?   146.278   21.033      ?      ? 
1 1 1    9   20    3 o  119.283   19.524   34.276   10.884   0.0000   0.0000   34.276   10.884  ?   ?   119.283   19.524      ?      ? 
1 1 1    9   20    4 o  281.394   34.536  203.037   45.418   0.0000   0.0000  203.037   45.418  ?   ?   281.394   34.536      ?      ? 
1 1 1    9   20    5 o  210.883   26.632  109.987   26.247   0.0000   0.0000  109.987   26.247  ?   ?   210.883   26.632      ?      ? 
1 1 1    9   20    6 o  231.561   28.787  133.964   31.154   0.0000   0.0000  133.964   31.154  ?   ?   231.561   28.787      ?      ? 
1 1 1    9   20    7 o  199.024   20.279  101.167   17.993   79.710   25.581  122.175   25.312  174.889   32.494  223.160   24.270 -48.27135 40.55771 
1 1 1    9   20    8 o  245.425   30.393  151.958   34.861   0.0000   0.0000  151.958   34.861  ?   ?   245.425   30.393      ?      ? 
1 1 1    9   20    9 o  257.931   27.221  181.594   30.133  117.540   42.675  245.289   42.555  203.298   45.991  312.565   29.132 -109.2677 54.44145 
1 1 1    9   20   10 o  221.244   27.834  122.280   28.780   0.0000   0.0000  122.280   28.780  ?   ?   221.244   27.834      ?      ? 
1 1 1    9   20   11 o  217.264   15.496  111.820   14.988  126.053   26.017  104.750   18.336  226.127   24.618  208.402   18.826 17.72508 30.99165 
1 1 1    9   20   12 o  120.258   13.007   35.304   6.5942   35.356   11.713   35.280   7.9789  118.742   21.913  121.774   14.020 -3.032082 26.01446 
1 1 1    9   20   13 o  319.528   25.774  285.246   31.260  231.836   62.543  303.033   36.092  286.857   46.652  352.200   21.927 -65.34238 51.54772 
1 1 1    9   20   14 o  183.352   19.432   87.034   15.577  113.059   22.006   60.901   22.052  214.996   21.902  151.707   32.104 63.28856 38.86326 
1 1 1    9   20   15 o   98.430   14.848   24.514   6.8254   15.314   9.6115   33.872   9.6941   78.292   23.997  118.568   17.494 -40.27571 29.69650 
1 1 1    9   20   16 o  246.826   16.925  143.459   18.708  178.447   32.531  126.168   22.869  266.843   26.085  226.809   21.574 40.03369 33.85090 
1 1 1    9   20   17 o  143.982   12.533   49.296   8.4333   0.0000   0.0000   49.296   8.4333  ?   ?   143.982   12.533      ?      ? 
1 1 1    9   20   18 o  167.886   16.764   77.178   11.293   54.242   19.229   89.254   13.953  143.031   29.736  192.741   15.489 -49.70924 33.52842 
1 1 1    9   20   19 o  105.280   9.7823   21.014   4.2439   40.723   8.9935   15.368   4.8135  130.273   14.772   80.287   12.828 49.98682 19.56455 
1 1 1    9   20   20 o   41.205   11.126   2.8669   3.0767  -1.8810   5.8072   4.7197   3.6277   37.238   16.572   45.171   14.850 -7.932655 22.25194 
1 1 1    9   20   21 o  190.289   14.100   88.551   10.789   88.689   21.601   88.505   12.454  188.154   24.565  192.424   13.848 -4.269485 28.19965 
1 1 1    9   20   22 f   92.543   9.7132   21.445   3.9354   16.968   5.9861   24.852   5.2226   82.668   16.073  102.418   10.911 -19.74962 19.42643 
1 1 1    9   20   23 o  189.273   11.587   88.501   9.8981   76.706   15.519   96.590   12.852  177.484   18.709  201.062   13.677 -23.57892 23.17496 
1 1 1    9   20   24 o  201.814   13.193   99.459   12.443   99.740   17.676   99.183   17.520  202.069   18.717  201.559   18.599 0.5104828 26.38663 
1 1 1    9   20   25 o  125.213   9.6828   39.361   5.3672   30.397   8.4308   45.470   6.9598  112.046   16.100  138.381   10.762 -26.33528 19.36565 
1 1 1    9   20   26 o   68.538   11.145   11.669   3.5338   15.388   5.2100   8.5001   4.8091   78.725   14.701   58.351   16.754 20.37397 22.28959 
1 1 1    9   20   27 o  145.652   10.726   51.321   7.2994   51.863   10.255   50.763   10.393  146.494   14.978  144.810   15.356 1.683807 21.45123 
1 1 1    9   20   28 o  192.249   15.259   88.345   12.900   81.023   15.535  104.607   23.151  181.736   18.290  202.761   24.431 -21.02472 30.51887 
1 1 1    9   20   29 o   72.240   14.886   11.222   4.4018   9.8397   4.8660   17.451   10.327   62.521   16.436   81.959   24.823 -19.43738 29.77146 
1 1 1    9   20   30 o  173.985   11.781   73.667   9.5503   66.512   13.363   81.137   13.654  165.069   17.322  182.901   15.974 -17.83249 23.56285 
1 1 1    9   20   31 o  162.028   11.562   63.905   8.7152   57.059   12.318   70.766   12.332  152.981   17.229  171.075   15.425 -18.09351 23.12481 
1 1 1    9   20   32 o  188.120   18.662   96.058   14.094  102.880   16.964   80.859   25.323  205.138   17.695  171.103   32.862 34.03490 37.32357 
1 1 1    9   20   33 o  228.730   18.905  139.337   18.755  128.763   32.196  144.768   23.074  216.978   31.750  240.482   20.531 -23.50371 37.81004 
1 1 1    9   20   34 o  157.383   17.071   65.119   11.287   62.734   19.749   66.275   13.754  151.092   29.023  163.673   17.981 -12.58142 34.14208 
1 1 1    9   20   35 o   88.948   16.465   20.588   7.6813   33.162   10.889   8.1321   10.837  113.309   21.345   64.587   25.075 48.72266 32.92993 
1 1 1    9   20   36 o  201.243   20.046  108.090   18.809   98.862   26.124  118.022   27.102  191.587   29.176  210.898   27.497 -19.31024 40.09170 
1 1 1    9   20   37 f  110.453   27.660   33.954   14.247   0.0000   0.0000   33.954   14.247  ?   ?   110.453   27.660      ?      ? 
1 1 1    9   20   38 o  124.773   15.993   39.172   8.9706   29.751   11.552   53.483   14.238  104.877   24.077  144.670   21.058 -39.79250 31.98692 
1 1 1    9   20   39 f   97.286   23.914   25.752   10.796   25.752   10.796   0.0000   0.0000   97.286   23.914  ?   ?       ?      ? 
1 1 1    9   20   40 o   64.426   18.933   10.763   6.0778   10.763   6.0778   0.0000   0.0000   64.426   18.933  ?   ?       ?      ? 
1 1 1    9   20   41 o   75.753   21.907   15.446   8.1955   15.446   8.1955   0.0000   0.0000   75.753   21.907  ?   ?       ?      ? 
1 1 1    9   20   42 o  178.451   18.831   91.159   13.937   97.989   17.234   78.249   23.695  195.996   18.815  160.905   32.626 35.09171 37.66251 
1 1 1    9   20   43 o  114.716   17.191   41.694   8.8217   51.907   10.798   21.196   15.298  144.127   16.031   85.305   30.416 58.82246 34.38186 
1 1 1    9   20   44 o  164.573   19.934   82.541   11.750   86.621   13.355   68.557   24.723  186.256   15.342  142.889   36.799 43.36743 39.86878 
1 1 1    9   20   45 o   82.530   18.006   18.759   6.7418   17.863   7.5900   22.108   14.676   80.659   20.184   84.402   29.823 -3.743385 36.01131 
1 1 1    9   20   46 o   86.375   14.824   21.828   6.4848   10.732   10.048   29.749   8.4896   64.892   24.401  107.859   16.842 -42.96726 29.64853 
1 1 1    9   20   47 o  106.543   16.671   29.183   6.5421   27.392   7.2003   37.660   15.663  104.361   14.763  108.725   29.895 -4.364159 33.34106 
1 1 1    9   20   48 o   98.113   18.685   30.287   8.4149   30.701   10.029   29.301   15.466  104.066   21.338   92.161   30.680 11.90557 37.37067 
1 1 1    9   20   49 o  108.543   13.149   32.177   6.5004   28.549   8.9669   36.195   9.4370  100.621   19.773  116.465   17.338 -15.84380 26.29801 
1 1 1    9   20   50 o   66.975   15.631   13.605   5.4005   14.994   5.8847   6.1881   13.595   74.094   17.307   59.857   26.034 14.23757 31.26201 
1 1 1    9   20   51 o   41.546   12.020   2.1122   4.1044   5.8664   5.0945  -4.8320   6.9287   48.053   17.498   35.038   16.484 13.01499 24.03905 
1 1 1    9   20   52 o   80.685   14.029   20.170   5.2193   22.093   6.5545   16.839   8.6283   89.337   16.300   72.033   22.838 17.30348 28.05823 
1 1 1    9   20   53 o   57.506   14.035   10.112   4.5674   10.923   5.6046   8.5086   7.8809   60.609   18.271   54.403   21.310 6.206070 28.07069 
1 1 1    9   20   54 o   57.919   15.178   10.753   5.5740   12.408   6.7771   7.2919   9.7996   62.701   20.279   53.136   22.589 9.564960 30.35615 
1 1 1    9   20   55 o   46.687   12.794   2.9874   4.1933  -1.8741   5.1893   12.135   7.1184   32.327   14.884   61.048   20.814 -28.72075 25.58835 
1 1 1    9   20   56 o   63.896   14.906   14.075   5.1928   12.248   7.1896   16.068   7.5082   59.715   20.892   68.078   21.266 -8.363106 29.81175 
1 1 1    9   21    0 o  244.021   13.834  144.231   21.982  144.231   21.982  144.231   21.982  244.021   19.564  244.021   19.564 -0.000000 0.000000 
1 1 1    9   21    1 o  179.648   13.772   73.304   11.093   95.917   19.318   62.178   13.550  198.608   20.812  160.687   18.044 37.92104 27.54489 
1 1 1    9   21    2 o  273.172   17.070  171.628   19.332  211.933   38.803  158.322   22.296  290.194   28.611  256.150   18.625 34.04413 34.13907 
1 1 1    9   21    3 o   75.772   12.074   14.725   3.7253   12.315   7.6446   15.476   4.2662   70.648   21.348   80.895   11.284 -10.24629 24.14715 
1 1 1    9   21    4 o  215.456   15.446  110.941   15.553   0.0000   0.0000  110.941   15.553  ?   ?   215.456   15.446      ?      ? 
1 1 1    9   21    5 o  156.738   12.995   59.722   8.1310   58.342   16.391   60.172   9.3644  154.216   22.742  159.259   12.581 -5.043365 25.99038 
1 1 1    9   21    6 o  215.973   19.430  129.010   15.237   97.162   30.510  139.592   17.587  190.374   35.601  241.573   15.577 -51.19904 38.85989 
1 1 1    9   21    7 o   86.298   12.569   18.217   4.7403   19.786   7.9450   17.350   5.9068   88.707   19.679   83.889   15.642 4.818085 25.13815 
1 1 1    9   21    8 o  138.540   12.124   45.519   7.8499   0.0000   0.0000   45.519   7.8499  ?   ?   138.540   12.124      ?      ? 
1 1 1    9   21    9 o  144.904   13.716   51.945   8.6259   48.197   14.990   53.800   10.547  139.832   22.937  149.975   15.048 -10.14304 27.43297 
1 1 1    9   21   10 o  205.868   18.988  106.694   18.268  106.861   25.784  106.527   25.887  206.073   26.772  205.663   26.933 0.4109039 37.97504 
1 1 1    9   21   11 o   54.750   12.796   6.0151   4.1253   1.5020   5.6315   11.241   6.0601   42.451   17.517   67.050   18.657 -24.59915 25.59157 
1 1 1    9   21   12 o  178.148   14.504   79.116   10.238   74.883   20.613   80.502   11.796  172.666   25.544  183.629   13.745 -10.96288 29.00759 
1 1 1    9   21   13 o  129.426   14.490   44.294   7.6997   34.589   13.283   49.205   9.4493  115.419   25.321  143.432   14.096 -28.01331 28.97995 
1 1 1    9   21   14 o  282.877   25.431  233.135   25.914  181.650   51.831  250.295   29.922  246.242   46.748  319.511   20.039 -73.26930 50.86181 
1 1 1    9   21   15 o  120.629   11.885   33.851   6.4255   39.981   11.082   30.747   7.8865  128.103   18.510  113.154   14.913 14.94914 23.77015 
1 1 1    9   21   16 o  223.121   15.505  119.768   16.167   0.0000   0.0000  119.768   16.167  ?   ?   223.121   15.505      ?      ? 
1 1 1    9   21   17 o  225.766   21.712  146.372   19.129   98.666   33.040  170.426   23.461  187.053   39.055  264.478   18.981 -77.42590 43.42338 
1 1 1    9   21   18 o  105.299   10.796   24.884   4.6167   30.233   9.5645   23.260   5.2715  111.575   18.342   99.022   11.391 12.55296 21.59142 
1 1 1    9   21   19 o  106.915   13.229   28.415   6.1060   27.736   10.362   28.777   7.5575  104.267   21.958  109.562   14.760 -5.294876 26.45760 
1 1 1    9   21   20 o   71.433   11.658   16.006   4.1107   0.7755   8.2292   21.071   4.7452   48.594   20.680   94.272   10.770 -45.67830 23.31634 
1 1 1    9   21   21 o   96.094   13.761   24.179   5.7566   19.534   9.6932   26.710   7.1550   86.762   23.378  105.426   14.522 -18.66438 27.52134 
1 1 1    9   21   22 o  108.184   15.573   30.129   7.6051   29.879   10.840   30.371   10.673  107.624   22.284  108.743   21.761 -1.118660 31.14653 
1 1 1    9   21   23 o  215.176   12.885  115.924   12.517  102.770   19.722  124.795   16.197  203.209   20.767  227.143   15.258 -23.93376 25.76948 
1 1 1    9   21   24 o  178.944   10.907   77.045   8.9579   80.137   14.171   74.987   11.561  181.369   16.718  176.518   14.014 4.850906 21.81482 
1 1 1    9   21   25 o   88.900   10.194   19.339   3.9933   19.179   6.4965   19.437   5.0626   87.561   16.480   90.240   12.004 -2.679016 20.38886 
1 1 1    9   21   26 o   68.376   10.160   11.093   3.2624   18.011   4.9862   5.9150   4.3140   86.831   12.287   49.922   16.183 36.90828 20.31909 
1 1 1    9   21   27 o  158.864   10.637   63.151   7.5552   51.219   11.813   71.412   9.8283  144.805   17.455  172.923   12.161 -28.11826 21.27377 
1 1 1    9   21   28 o  141.845   12.287   46.364   7.8803   38.718   9.7494   60.772   13.384  126.210   16.529  157.481   18.185 -31.27119 24.57421 
1 1 1    9   21   29 o  177.342   14.709   75.999   11.289   72.606   13.503   83.877   20.575  172.799   16.720  181.884   24.204 -9.084885 29.41782 
1 1 1    9   21   30 o   65.118   14.782   10.573   5.1197   8.8681   7.8930   11.811   6.7268   62.061   21.878   68.174   19.885 -6.112469 29.56420 
1 1 1    9   21   31 o   92.022   14.014   19.774   6.2128   36.749   9.9478   8.9190   7.9550  122.119   17.430   61.926   21.949 60.19342 28.02794 
1 1 1    9   21   32 o   59.294   12.643   8.6327   3.8500   6.4705   5.2745   11.099   5.6326   52.643   17.917   65.946   17.843 -13.30276 25.28609 
1 1 1    9   21   33 o   56.537   13.933   6.1298   4.2547   11.301   7.8581   3.9849   5.0607   67.219   21.845   45.854   17.301 21.36560 27.86614 
1 1 1    9   21   34 o   89.438   15.072   22.682   6.3170   13.151   10.976   27.403   7.7245   72.959   25.790  105.916   15.605 -32.95623 30.14415 
1 1 1    9   21   35 o   88.976   27.144   21.807   12.316   0.0000   0.0000   21.807   12.316  ?   ?    88.976   27.144      ?      ? 
1 1 1    9   21   36 o   56.823   22.609   5.6214   8.9993   0.0000   0.0000   5.6214   8.9993  ?   ?    56.823   22.609      ?      ? 
1 1 1    9   21   37 o   60.685   21.776   8.6699   7.8528   8.6699   7.8528   0.0000   0.0000   60.685   21.776  ?   ?       ?      ? 
1 1 1    9   21   38 o  117.198   24.346   37.431   12.899   37.431   12.899   0.0000   0.0000  117.198   24.346  ?   ?       ?      ? 
1 1 1    9   21   39 o   86.166   19.315   19.557   7.5856   19.557   7.5856   0.0000   0.0000   86.166   19.315  ?   ?       ?      ? 
1 1 1    9   21   40 f  111.434   28.109   36.070   14.637   36.070   14.637   0.0000   0.0000  111.434   28.109  ?   ?       ?      ? 
1 1 1    9   21   41 o   60.504   17.310   6.5632   7.6779   3.6599   11.022   9.3005   10.702   56.676   24.018   64.333   24.934 -7.656876 34.62064 
1 1 1    9   21   42 o  108.381   18.262   33.898   9.3778   45.129   13.430   23.211   13.101  128.188   23.274   88.573   28.148 39.61535 36.52401 
1 1 1    9   21   43 f   80.786   18.747   19.077   8.1573   21.719   12.175   16.925   10.988   85.046   27.147   76.525   25.862 8.521370 37.49389 
1 1 1    9   21   44 o   74.295   14.526   15.326   5.2611   17.358   7.2388   13.051   7.6597   79.798   19.562   68.792   21.478 11.00551 29.05111 
1 1 1    9   21   45 o   96.165   16.830   30.270   7.6881   35.333   8.8897   15.247   15.313  117.850   16.140   74.480   29.537 43.36958 33.65969 
1 1 1    9   21   46 o   58.713   13.568   9.5158   4.5290   12.166   5.6032   4.5207   7.6919   66.958   17.654   50.468   20.607 16.48992 27.13552 
1 1 1    9   21   47 o  126.234   11.654   41.403   6.6487   39.810   8.3581   44.147   10.972  124.690   14.343  127.777   18.373 -3.086983 23.30839 
1 1 1    9   21   48 o   40.440   12.461   0.5813   4.1950   0.0447   5.1454   1.6449   7.2444   36.422   15.925   44.458   19.170 -8.035751 24.92159 
1 1 1    9   21   49 o   57.397   13.450   7.5282   4.3950   3.0128   5.5441   15.164   7.2098   42.706   17.473   72.088   20.453 -29.38250 26.90061 
1 1 1    9   21   50 o   47.915   15.073   1.6534   4.8688   0.3972   5.2633   9.1033   12.818   36.615   16.055   59.214   25.516 -22.59936 30.14684 
1 1 1    9   21   51 f   55.777   16.229   7.9485   6.2376   11.338   11.924   6.6712   7.3190   60.549   25.278   51.005   20.360 9.543884 32.45758 
1 1 1    9   21   52 o   62.531   15.383   13.792   6.3895   17.720   7.2119  -0.5404   13.777   75.480   20.090   49.583   23.300 25.89671 30.76501 
1 1 1    9   21   53 o   43.525   17.393   4.3366   5.3472   4.3366   5.3472   0.0000   0.0000   43.525   17.393  ?   ?       ?      ? 
1 1 1    9   21   54 o   39.631   11.818   1.4456   4.2837   6.2163   5.3265  -7.2895   7.2075   46.999   17.746   32.263   15.611 14.73597 23.63505 
1 1 1    9   22    0 o  315.491   14.775  241.521   30.500  241.521   30.500  241.521   30.500  315.491   20.896  315.491   20.896 -0.000000 0.000000 
1 1 1    9   22    1 o   71.639   11.241   12.835   3.6657   12.035   5.2671   13.587   5.1050   69.321   16.497   73.957   15.275 -4.635803 22.48278 
1 1 1    9   22    2 f  196.999   11.751   94.365   10.540   90.292   16.694   97.065   13.592  192.671   18.540  201.326   14.446 -8.654510 23.50297 
1 1 1    9   22    3 o  205.371   13.074  109.481   11.630   76.617   18.299  131.747   15.063  175.931   22.256  234.812   13.726 -58.88060 26.14809 
1 1 1    9   22    4 o  286.138   19.040  199.709   25.461   0.0000   0.0000  199.709   25.461  ?   ?   286.138   19.040      ?      ? 
1 1 1    9   22    5 o  113.595   11.557   30.645   6.1354   0.0000   0.0000   30.645   6.1354  ?   ?   113.595   11.557      ?      ? 
1 1 1    9   22    6 o  176.187   12.579   73.953   10.358   0.0000   0.0000   73.953   10.358  ?   ?   176.187   12.579      ?      ? 
1 1 1    9   22    7 o  161.212   13.125   63.676   8.4650   62.555   17.002   64.046   9.7608  158.514   22.951  163.909   12.742 -5.395126 26.25058 
1 1 1    9   22    8 o  124.139   11.985   36.653   6.9533   0.0000   0.0000   36.653   6.9533  ?   ?   124.139   11.985      ?      ? 
1 1 1    9   22    9 o  203.304   14.920   97.020   13.619  119.934   23.516   85.457   16.705  219.543   22.919  187.065   19.108 32.47815 29.83947 
1 1 1    9   22   10 o  148.135   13.646   53.429   8.8631   54.063   15.469   53.119   10.814  147.670   22.414  148.600   15.572 -0.9304962 27.29249 
1 1 1    9   22   11 o  259.142   23.557  177.712   28.427  161.797   40.097  193.795   40.308  246.021   34.874  272.264   31.678 -26.24289 47.11391 
1 1 1    9   22   12 o  107.916   11.772   27.352   5.0069   30.854   10.180   26.234   5.7506  110.714   20.427  105.119   11.705 5.595581 23.54302 
1 1 1    9   22   13 o  128.677   13.973   43.790   6.6992   35.861   13.510   46.376   7.7144  117.612   25.328  139.741   11.812 -22.12875 27.94685 
1 1 1    9   22   14 o  121.835   15.273   42.667   7.5048   24.218   12.959   51.977   9.2057   96.090   27.476  147.580   13.347 -51.48977 30.54624 
1 1 1    9   22   15 o  119.935   13.673   36.511   6.9003   33.242   11.963   38.142   8.4473  113.716   23.293  126.153   14.328 -12.43739 27.34637 
1 1 1    9   22   16 o   83.221   12.409   16.072   4.4386   21.931   7.9585   13.427   5.3475   93.210   18.916   73.233   16.066 19.97637 24.81784 
1 1 1    9   22   17 o  117.265   12.983   34.634   6.5127   32.215   11.012   35.936   8.0766  112.191   21.788  122.340   14.126 -10.14895 25.96610 
1 1 1    9   22   18 o   38.044   10.926   1.8741   2.7092   0.0000   5.7795   2.4019   3.0670   39.994   17.183   36.094   13.499 3.900085 21.85101 
1 1 1    9   22   19 o  115.664   11.850   29.960   5.9864   45.291   10.479   22.533   7.2936  136.468   16.431   94.860   17.080 41.60808 23.70021 
1 1 1    9   22   20 o   87.612   12.495   18.659   4.8198   22.769   7.9567   16.277   6.0577   94.800   18.624   80.424   16.665 14.37545 24.99086 
1 1 1    9   22   21 o  284.017   20.037  205.050   23.053  223.559   46.134  198.891   26.614  284.737   34.669  283.297   20.101 1.440704 40.07469 
1 1 1    9   22   22 o  147.143   15.000   58.774   8.1840   46.426   16.273   62.954   9.4684  132.009   27.280  162.277   12.485 -30.26805 30.00070 
1 1 1    9   22   23 o  203.694   19.657  108.205   18.651   99.126   26.384  117.273   26.368  194.156   29.077  213.233   26.460 -19.07721 39.31390 
1 1 1    9   22   24 o  122.022   9.0152   35.248   5.0735   37.962   7.9510   33.385   6.5893  125.759   13.528  118.285   11.920 7.474037 18.03033 
1 1 1    9   22   25 o  109.019   9.1710   27.816   4.6174   33.048   7.2309   24.213   5.9999  117.439   13.175  100.599   12.762 16.83926 18.34205 
1 1 1    9   22   26 o  111.658   9.3098   29.852   4.7834   29.958   7.4440   29.777   6.2429  111.587   14.274  111.729   11.956 -0.1418762 18.61956 
1 1 1    9   22   27 o  138.932   9.5783   46.051   6.1229   48.346   9.6295   44.493   7.9331  141.516   14.560  136.347   12.450 5.168533 19.15664 
1 1 1    9   22   28 o  263.162   20.689  189.598   23.534  174.056   40.368  197.600   28.965  247.490   34.901  278.833   22.227 -31.34273 41.37793 
1 1 1    9   22   29 o  230.481   15.715  135.511   16.796  116.886   23.630  154.531   23.879  213.112   23.726  247.849   20.615 -34.73677 31.43057 
1 1 1    9   22   30 o   70.649   14.678   13.162   5.1499   9.9539   8.8254   14.818   6.3415   65.192   23.117   76.107   18.094 -10.91465 29.35673 
1 1 1    9   22   31 o  130.297   15.279   43.504   8.4800   43.321   14.711   43.595   10.378  127.253   25.622  133.342   16.653 -6.088615 30.55861 
1 1 1    9   22   32 o  139.859   27.716   53.711   17.475   0.0000   0.0000   53.711   17.475  ?   ?   139.859   27.716      ?      ? 
1 1 1    9   22   33 o  146.755   26.767   58.849   17.682   0.0000   0.0000   58.849   17.682  ?   ?   146.755   26.767      ?      ? 
1 1 1    9   22   34 f   83.088   16.503   19.712   7.7106   28.849   9.7301   4.2888   12.642  104.990   20.566   61.185   25.815 43.80482 33.00536 
1 1 1    9   22   35 o  141.325   23.096   52.265   15.254   52.265   15.254   0.0000   0.0000  141.325   23.096  ?   ?       ?      ? 
1 1 1    9   22   36 f  137.488   16.714   47.082   10.740   47.082   10.740   0.0000   0.0000  137.488   16.714  ?   ?       ?      ? 
1 1 1    9   22   37 o  180.683   18.296   82.639   15.449   82.639   15.449   0.0000   0.0000  180.683   18.296  ?   ?       ?      ? 
1 1 1    9   22   38 o   51.179   15.472  -2.3796   7.3046   8.8014   10.389 -13.3090   10.272   63.343   24.563   39.015   18.819 24.32830 30.94306 
1 1 1    9   22   39 o  135.909   19.679   53.088   12.075   49.389   16.734   57.106   17.442  130.427   28.269  141.391   27.384 -10.96402 39.35822 
1 1 1    9   22   40 o  103.483   15.661   28.662   7.0564   29.991   12.427   28.031   8.5725  101.962   25.999  105.004   17.469 -3.041847 31.32255 
1 1 1    9   22   41 o   78.725   13.035   18.631   6.1433   30.507   7.6688  -2.6428   10.264  110.311   14.875   47.139   21.409 63.17146 26.06929 
1 1 1    9   22   42 o   87.402   13.518   20.658   5.5459   27.301   7.8676   14.097   7.8188  103.583   16.252   71.220   21.606 32.36272 27.03586 
1 1 1    9   22   43 o   32.904   10.731  -4.5884   3.9712  -8.6147   5.5559  -0.3827   5.6783   27.865   13.535   37.943   16.656 -10.07799 21.46202 
1 1 1    9   22   44 o   62.358   14.603   6.9290   5.2349   0.7598   6.3320   20.251   9.3049   41.370   17.880   83.345   23.092 -41.97443 29.20529 
1 1 1    9   22   45 o   49.681   14.043   5.1832   4.9032   6.7746   5.8850   1.5710   8.8664   51.765   18.813   47.598   20.855 4.166756 28.08676 
1 1 1    9   22   46 o   54.889   15.119   7.2996   5.5141   8.1080   6.8675   5.8329   9.2506   55.651   20.308   54.126   22.403 1.525517 30.23702 
1 1 1    9   22   47 o   40.767   12.955  -0.9280   5.1049   0.4605   6.4827  -3.1942   8.2821   40.765   17.848   40.768   18.782 -0.3349304E-02 25.91000 
1 1 1    9   22   48 o   67.839   15.077   15.148   5.3861   16.902   6.0153   8.0522   12.096   77.707   17.033   57.972   24.881 19.73489 30.15302 
1 1 1    9   22   49 o   73.223   12.557   14.529   5.1263   3.8002   6.9022   27.727   7.6555   45.622   19.152  100.825   16.247 -55.20338 25.11486 
1 1 1    9   22   50 o   65.942   15.252   14.145   5.4429   15.114   7.3201   12.947   8.1398   68.924   20.904   62.960   22.215 5.963627 30.50392 
1 1 1    9   22   51 o   48.289   12.962   5.7986   4.9284   10.377   5.4894 -13.2310   11.191   58.861   18.151   37.717   18.510 21.14384 25.92403 
1 1 1    9   22   52 o   50.938   15.175   6.1336   5.0622   5.4367   5.5679   9.4555   12.156   45.823   17.922   56.054   24.494 -10.23138 30.35041 
1 1 1    9   22   53 o   51.565   13.894   7.3220   5.0239   1.7685   6.9083   13.556   7.3193   40.618   18.075   62.512   21.107 -21.89312 27.78891 
1 1 1    9   23    0 o  122.227   10.840   36.966   8.3837   36.966   8.3837   36.966   8.3837  122.227   15.330  122.227   15.330 -0.000000 0.000000 
1 1 1    9   23    1 o  271.621   19.058  176.969   23.232  152.838   28.447  225.296   40.257  247.096   24.633  296.147   29.086 -49.05077 38.11587 
1 1 1    9   23    2 o  347.847   20.943  313.385   33.653  263.345   47.557  363.574   47.627  317.046   32.096  378.648   26.914 -61.60211 41.88665 
1 1 1    9   23    3 o  223.459   13.559  121.934   14.121  111.887   19.967  131.986   19.974  213.838   19.980  233.080   18.336 -19.24225 27.11834 
1 1 1    9   23    4 o  212.470   16.611  115.838   13.846  105.260   27.836  119.315   15.960  202.063   29.477  222.877   15.322 -20.81436 33.22157 
1 1 1    9   23    5 o  318.303   24.577  280.674   30.168  247.314   60.374  291.776   34.828  292.834   44.115  343.773   21.678 -50.93915 49.15339 
1 1 1    9   23    6 o   87.107   12.456   19.022   4.2988   18.114   8.7343   19.313   4.9383   84.057   21.984   90.157   11.720 -6.100151 24.91272 
1 1 1    9   23    7 o   90.883   12.586   21.377   4.4822   18.504   9.0362   22.314   5.1620   84.828   22.445   96.938   11.394 -12.10966 25.17143 
1 1 1    9   23    8 o  224.101   19.761  138.538   16.309  112.048   32.611  147.373   18.833  201.236   35.997  246.966   16.317 -45.73067 39.52211 
1 1 1    9   23    9 o  237.219   21.874  159.093   20.724  118.859   35.737  179.478   25.438  204.413   38.828  270.024   20.157 -65.61076 43.74824 
1 1 1    9   23   10 o  338.485   22.772  294.618   31.239  327.257   62.594  283.792   36.049  340.234   39.365  336.736   22.906 3.498138 45.54459 
1 1 1    9   23   11 f  144.021   15.630   51.639   10.494   46.894   14.485   56.880   15.225  136.846   22.649  151.195   21.546 -14.34941 31.26066 
1 1 1    9   23   12 o  210.515   15.716  108.297   13.435  116.456   26.899  105.585   15.509  212.243   27.118  208.788   15.894 3.454834 31.43217 
1 1 1    9   23   13 o  283.409   20.958  209.091   23.803  217.435   47.665  206.319   27.474  278.473   36.625  288.345   20.388 -9.871368 41.91697 
1 1 1    9   23   14 o  141.908   15.490   55.914   8.8187   38.386   15.071   65.039   10.875  119.467   27.556  164.349   14.158 -44.88226 30.98011 
1 1 1    9   23   15 o   76.405   12.463   15.491   3.9155   12.135   8.0842   16.520   4.4754   69.564   22.112   83.246   11.503 -13.68124 24.92521 
1 1 1    9   23   16 o  200.732   15.962   99.390   14.171  107.713   24.665   95.288   17.314  204.708   25.781  196.757   18.829 7.951004 31.92465 
1 1 1    9   23   17 f  223.579   19.265  135.247   18.246  112.535   31.519  146.694   22.376  203.490   33.143  243.669   19.649 -40.17908 38.52954 
1 1 1    9   23   18 o  170.699   13.088   68.561   9.1366   77.930   18.403   65.496   10.525  176.234   22.344  165.164   13.636 11.06950 26.17634 
1 1 1    9   23   19 o   64.699   12.159   8.0835   3.3331   16.776   7.1097   5.6348   3.7735   81.054   19.084   48.344   15.072 32.71054 24.31838 
1 1 1    9   23   20 o  241.729   22.164  164.973   21.682  132.395   37.505  181.327   26.573  213.656   38.997  269.801   21.074 -56.14540 44.32743 
1 1 1    9   23   21 o  132.397   10.750   37.168   5.9331   54.649   12.170   31.718   6.7954  149.631   17.403  115.164   12.626 34.46688 21.50046 
1 1 1    9   23   22 o   82.451   12.584   17.549   4.2136   15.416   8.4361   18.258   4.8637   77.401   22.180   87.501   11.894 -10.10031 25.16799 
1 1 1    9   23   23 o   42.467   11.286   1.9024   2.9877   6.7087   5.3805  -0.2401   3.5924   53.662   18.097   31.271   13.492 22.39061 22.57268 
1 1 1    9   23   24 o  144.661   12.618   50.736   7.5740   53.118   14.625   49.863   8.8537  145.292   21.538  144.029   13.153 1.263535 25.23697 
1 1 1    9   23   25 f   93.625   12.457   21.792   5.1321   22.674   8.5511   21.296   6.4162   93.588   20.147   93.662   14.658 -0.7473755E-01 24.91487 
1 1 1    9   23   26 o  273.063   14.441  185.561   18.106  195.870   28.655  178.711   23.360  277.733   22.077  268.393   18.624 9.339844 28.88278 
1 1 1    9   23   27 o  133.562   11.454   44.247   6.9610   55.075   9.8102   33.268   9.8787  151.050   13.897  116.075   18.210 34.97555 22.90719 
1 1 1    9   23   28 o  167.406   13.948   70.138   9.2369   69.547   18.799   70.326   10.605  163.986   24.529  170.827   13.284 -6.841553 27.89515 
1 1 1    9   23   29 o  116.733   12.139   32.752   6.6222   0.0000   0.0000   32.752   6.6222  ?   ?   116.733   12.139      ?      ? 
1 1 1    9   23   30 o  113.412   27.507   35.846   14.430   0.0000   0.0000   35.846   14.430  ?   ?   113.412   27.507      ?      ? 
1 1 1    9   23   31 o  105.193   17.503   32.704   9.3846   46.098   12.164   13.011   14.750  135.193   19.253   75.193   29.236 59.99980 35.00613 
1 1 1    9   23   32 o  144.735   22.776   54.577   15.406   54.577   15.406   0.0000   0.0000  144.735   22.776  ?   ?       ?      ? 
1 1 1    9   23   33 o  267.362   26.516  194.099   33.132  194.099   33.132   0.0000   0.0000  267.362   26.516  ?   ?       ?      ? 
1 1 1    9   23   34 o  129.617   24.906   46.078   14.539   46.078   14.539   0.0000   0.0000  129.617   24.906  ?   ?       ?      ? 
1 1 1    9   23   35 f   95.755   27.849   26.560   13.211   26.560   13.211   0.0000   0.0000   95.755   27.849  ?   ?       ?      ? 
1 1 1    9   23   36 o   85.003   27.703   20.725   12.635   20.725   12.635   0.0000   0.0000   85.003   27.703  ?   ?       ?      ? 
1 1 1    9   23   37 o  188.811   17.354   97.882   14.167   93.179   24.534  100.235   17.353  179.825   29.192  197.798   18.772 -17.97226 34.70720 
1 1 1    9   23   38 o   91.129   19.263   24.302   8.9829   30.394   13.067   18.843   12.370  101.584   27.044   80.674   27.438 20.90993 38.52551 
1 1 1    9   23   39 o  145.758   14.513   58.331   8.9541   81.487   12.765   35.901   12.563  179.929   15.180  111.586   24.740 68.34293 29.02593 
1 1 1    9   23   40 o   85.313   16.398   21.457   6.6191   23.273   8.0424   17.644   11.653   93.004   19.141   77.622   26.630 15.38133 32.79550 
1 1 1    9   23   41 o  186.303   33.496  112.353   28.092  112.353   28.092   0.0000   0.0000  186.303   33.496  ?   ?       ?      ? 
1 1 1    9   23   42 o   54.429   14.700   3.8509   5.2042   14.100   9.3068  -0.8119   6.2774   70.021   23.800   38.836   17.258 31.18559 29.39906 
1 1 1    9   23   43 o   83.797   15.675   19.868   6.1762   26.664   9.9258   15.575   7.8895   94.794   22.704   72.799   21.618 21.99544 31.34985 
1 1 1    9   23   44 o  109.210   12.975   32.492   6.4026   37.838   9.1412   27.343   8.9704  120.161   16.278   98.259   20.209 21.90243 25.94932 
1 1 1    9   23   45 f   61.830   14.442   10.773   4.8491   10.473   6.7785   11.087   6.9395   61.092   20.310   62.567   20.538 -1.475105 28.88424 
1 1 1    9   23   46 o   57.478   14.455   9.3480   5.8278  -3.9830   10.845   14.761   6.9104   44.519   20.840   70.437   20.038 -25.91805 28.91063 
1 1 1    9   23   47 o  136.048   15.296   53.298   9.3955   45.958   11.620   67.157   15.966  125.690   19.782  146.406   23.335 -20.71599 30.59173 
1 1 1    9   23   48 o   60.700   16.069   11.414   5.7916   13.012   10.892   10.784   6.8385   62.224   24.837   59.175   20.394 3.048466 32.13709 
1 1 1    9   23   49 o   49.304   13.912   6.3480   4.8177   5.7268   7.4377   6.7970   6.3235   48.777   20.130   49.831   19.207 -1.054218 27.82337 
1 1 1    9   23   50 o   38.397   11.877   1.2331   3.9936   0.8743   5.2049   1.7467   6.2272   36.538   15.995   40.256   17.562 -3.718327 23.75439 
1 1 1    9   23   51 o   86.356   15.946   21.951   5.8226   17.158   6.6841   37.031   11.856   73.298   19.261   99.415   25.419 -26.11784 31.89200 
1 1 1    9   24    0 o  251.163   12.582  153.053   20.646  153.053   20.646  153.053   20.646  251.163   17.794  251.163   17.794 -0.000000 0.000000 
1 1 1    9   24    1 o  173.390   10.760   73.418   8.4997   76.308   11.010   69.156   13.372  178.377   13.207  168.404   16.991 9.972855 21.52000 
1 1 1    9   24    2 o  339.704   15.856  291.020   25.005  254.466   35.313  327.778   35.411  316.651   23.862  362.758   20.887 -46.10690 31.71265 
1 1 1    9   24    3 f  221.474   17.678  125.533   17.168  124.934   29.658  125.835   21.055  217.620   29.161  225.329   19.994 -7.708160 35.35666 
1 1 1    9   24    4 o  101.009   12.773   25.240   5.6456   26.009   9.4506   24.813   7.0397  100.659   20.778  101.359   14.861 -0.7005005 25.54558 
1 1 1    9   24    5 o  110.253   12.035   28.271   5.9892   35.167   10.207   24.650   7.3966  119.675   18.249  100.831   15.696 18.84389 24.07048 
1 1 1    9   24    6 o  356.515   40.956  444.677   64.087  549.764   90.767  340.207   90.500  421.571   46.069  291.459   67.729 130.1120 81.91253 
1 1 1    9   24    7 o  110.593   14.349   29.476   7.4162   0.0000   0.0000   29.476   7.4162  ?   ?   110.593   14.349      ?      ? 
1 1 1    9   24    8 o  114.537   13.863   33.874   6.6662   30.153   11.592   35.712   8.1484  107.324   23.740  121.751   14.320 -14.42720 27.72511 
1 1 1    9   24    9 o  257.587   18.313  161.151   21.152  206.187   36.745  138.833   25.867  281.029   27.977  234.146   23.638 46.88269 36.62664 
1 1 1    9   24   10 o  250.116   19.373  160.506   21.340  168.499   37.040  156.534   26.109  250.537   31.634  249.695   22.374 0.8426514 38.74670 
1 1 1    9   24   11 o  107.215   14.604   34.526   6.6874   14.670   11.275   45.304   8.3063   76.878   26.196  137.551   12.921 -60.67265 29.20898 
1 1 1    9   24   12 o  223.150   20.425  145.707   16.176  102.927   32.208  160.139   18.707  189.078   37.770  257.222   15.562 -68.14384 40.84997 
1 1 1    9   24   13 o   87.838   11.970   17.826   4.3017   22.189   8.5158   16.331   4.9843   93.090   20.158   82.586   12.914 10.50454 23.93974 
1 1 1    9   24   14 o   48.203   12.385   4.5691   3.8835  -0.8367   6.5874   7.4487   4.8078   41.265   18.031   55.140   16.984 -13.87427 24.77028 
1 1 1    9   24   15 o  173.489   17.331   85.216   11.861   56.176   20.175  100.554   14.662  143.090   31.060  203.889   15.387 -60.79907 34.66238 
1 1 1    9   24   16 o  224.973   15.446  120.322   14.296  140.440   28.637  113.644   16.499  233.614   26.230  216.331   16.319 17.28246 30.89195 
1 1 1    9   24   17 o  103.725   10.820   22.928   4.6572   33.107   9.6042   19.799   5.3252  116.429   17.651   91.020   12.519 25.40891 21.63926 
1 1 1    9   24   18 o   51.265   12.233   6.0852   3.1581   4.6215   6.7341   6.4979   3.5757   51.306   19.809   51.223   14.359 0.8322906E-01 24.46533 
1 1 1    9   24   19 o  192.133   15.830   95.991   11.891   86.346   23.886   99.169   13.711  181.492   28.160  202.773   14.468 -21.28049 31.65973 
1 1 1    9   24   20 o   61.604   13.457   9.1380   4.0653   10.595   7.1496   8.4420   4.9419   65.134   20.804   58.074   17.074 7.059517 26.91346 
1 1 1    9   24   21 o  142.667   15.666   49.673   10.445   0.0000   0.0000   49.673   10.445  ?   ?   142.667   15.666      ?      ? 
1 1 1    9   24   22 o   61.542   17.419   9.6002   5.2360   0.0000   0.0000   9.6002   5.2360  ?   ?    61.542   17.419      ?      ? 
1 1 1    9   24   23 o   86.329   12.775   18.405   4.5587   19.411   8.8341   18.040   5.3220   86.070   21.906   86.588   13.151 -0.5178146 25.55084 
1 1 1    9   24   24 o   90.188   12.494   19.612   4.5903   22.133   9.0293   18.734   5.3306   92.104   21.387   88.272   12.921 3.831963 24.98718 
1 1 1    9   24   25 o   76.384   12.364   14.858   4.0745   13.974   7.5779   15.218   4.8324   73.306   21.026   79.463   13.012 -6.156380 24.72704 
1 1 1    9   24   26 o   77.327   14.506   14.972   5.0497   0.0000   0.0000   14.972   5.0497  ?   ?    77.327   14.506      ?      ? 
1 1 1    9   24   28 o  117.721   24.299   37.427   12.925   0.0000   0.0000   37.427   12.925  ?   ?   117.721   24.299      ?      ? 
1 1 1    9   24   29 o  104.263   22.076   28.949   10.422   28.949   10.422   0.0000   0.0000  104.263   22.076  ?   ?       ?      ? 
1 1 1    9   24   30 o  147.851   16.252   54.180   11.230   54.180   11.230   0.0000   0.0000  147.851   16.252  ?   ?       ?      ? 
1 1 1    9   24   31 o   76.947   24.468   16.061   9.8979   16.061   9.8979   0.0000   0.0000   76.947   24.468  ?   ?       ?      ? 
1 1 1    9   24   32 o   54.108   22.275   4.1641   9.0798   4.1641   9.0798   0.0000   0.0000   54.108   22.275  ?   ?       ?      ? 
1 1 1    9   24   33 o  123.261   19.806   43.926   11.180   38.784   15.736   49.168   15.887  114.623   29.271  131.898   26.690 -17.27499 39.61246 
1 1 1    9   24   34 o  146.433   19.315   60.985   12.836   50.923   18.141   71.072   18.164  130.553   30.314  162.313   23.945 -31.75974 38.63075 
1 1 1    9   24   35 o  107.978   16.355   30.333   7.3984   35.693   14.194   28.333   8.6693  110.364   27.593  105.593   17.567 4.771011 32.71030 
1 1 1    9   24   36 o   88.027   15.565   24.763   7.0544   8.1645   13.138   31.487   8.3621   64.437   26.686  111.618   16.030 -47.18112 31.13085 
1 1 1    9   24   37 o  102.595   12.499   27.689   5.8012   31.133   8.0971   24.058   8.3155  110.915   15.620   94.274   19.516 16.64167 24.99770 
1 1 1    9   24   38 o   55.495   13.608   7.3057   4.5932   2.9396   6.6271   11.342   6.3720   46.150   19.019   64.840   19.468 -18.69004 27.21561 
1 1 1    9   24   39 o  100.926   15.293   28.449   6.8152   29.288   8.4392   26.876   11.555  106.728   16.919   95.124   25.481 11.60406 30.58651 
1 1 1    9   24   40 o  106.821   15.899   32.297   7.4312   31.119   9.2708   34.414   12.429  106.718   19.299  106.925   25.272 -0.2072678 31.79782 
1 1 1    9   24   41 o  108.198   16.336   35.267   7.6694   36.627   9.3336   32.442   13.457  117.547   16.990   98.850   27.907 18.69702 32.67214 
1 1 1    9   24   42 o  108.339   16.971   30.995   8.5929   30.995   8.5929   0.0000   0.0000  108.339   16.971  ?   ?       ?      ? 
1 1 1    9   24   43 o   67.858   13.419   12.835   4.7287   7.1829   6.6159   18.739   6.7613   53.346   19.850   82.370   18.061 -29.02393 26.83755 
1 1 1    9   24   44 o   50.174   15.054   4.2073   6.2280   7.5707   8.9336   1.0270   8.6870   54.908   22.290   45.441   20.241 9.467430 30.10877 
1 1 1    9   24   45 o   53.511   14.694   7.1017   5.0934   11.197   8.5635   4.8596   6.3359   60.294   22.555   46.728   18.840 13.56641 29.38836 
1 1 1    9   24   46 o   45.936   14.207   2.8307   5.7425   1.9776   7.6112   3.9581   8.7496   43.735   19.239   48.136   20.911 -4.401886 28.41471 
1 1 1    9   24   47 o   70.860   16.044   17.288   6.0160   18.191   7.3089   15.390   10.594   76.323   20.182   65.398   24.946 10.92496 32.08739 
1 1 1    9   24   48 o   53.810   14.200   8.6716   5.0904   11.611   6.5041   4.0249   8.1777   60.779   19.880   46.841   20.282 13.93757 28.40003 
1 1 1    9   24   49 o   51.431   13.806   7.9694   4.6459   5.8079   6.5247   10.192   6.6169   46.844   19.037   56.018   20.001 -9.173157 27.61201 
1 1 1    9   25    0 o  199.837   10.595   96.400   13.813   96.400   13.813   96.400   13.813  199.837   14.984  199.837   14.984 -0.000000 0.000000 
1 1 1    9   25    1 o   94.178   9.9026   22.461   4.0182   25.098   5.1521   18.367   6.4199  102.761   10.728   85.594   16.648 17.16688 19.80513 
1 1 1    9   25    2 o  224.581   13.836  131.584   13.562   96.661   21.366  155.150   17.551  195.592   23.374  253.569   14.811 -57.97682 27.67136 
1 1 1    9   25    3 o  101.244   9.5898   24.914   4.4023   23.219   6.9953   26.025   5.6648   97.995   15.274  104.493   11.600 -6.497536 19.17969 
1 1 1    9   25    4 o  305.250   21.881  243.071   26.839  259.083   53.806  237.768   30.966  301.921   38.133  308.579   21.472 -6.657715 43.76244 
1 1 1    9   25    5 o  214.023   16.719  114.500   15.784  120.356   27.394  111.590   19.313  215.405   27.212  212.641   19.434 2.764374 33.43861 
1 1 1    9   25    6 o  234.257   16.452  133.382   18.012   0.0000   0.0000  133.382   18.012  ?   ?   234.257   16.452      ?      ? 
1 1 1    9   25    7 o  144.130   12.283   49.626   8.2740   0.0000   0.0000   49.626   8.2740  ?   ?   144.130   12.283      ?      ? 
1 1 1    9   25    8 o  112.797   12.090   29.880   6.1199   35.099   10.511   27.202   7.5276  119.483   18.822  106.110   15.180 13.37310 24.18064 
1 1 1    9   25    9 o  151.808   16.330   63.549   9.9459   46.022   17.216   72.328   12.185  130.528   28.978  173.088   15.063 -42.56076 32.65903 
1 1 1    9   25   10 o   69.768   13.873   11.636   5.3979   20.379   7.5728   2.6058   7.6963   89.659   18.679   49.876   20.518 39.78384 27.74652 
1 1 1    9   25   11 o   74.300   15.695   13.798   5.9120   10.846   7.9835   17.382   8.7971   66.680   22.035   81.919   22.355 -15.23903 31.38947 
1 1 1    9   25   12 f  113.077   14.810   30.846   7.8267   0.0000   0.0000   30.846   7.8267  ?   ?   113.077   14.810      ?      ? 
1 1 1    9   25   13 o  278.472   24.195  197.490   31.488   0.0000   0.0000  197.490   31.488  ?   ?   278.472   24.195      ?      ? 
1 1 1    9   25   14 o  337.700   26.024  318.041   38.792  348.548   67.207  302.798   47.505  339.682   42.335  335.717   30.278 3.965515 52.04784 
1 1 1    9   25   15 o  196.098   18.978  101.385   17.248  115.939   24.566   87.235   24.222  211.586   24.843  180.609   28.697 30.97752 37.95609 
1 1 1    9   25   16 o  158.224   17.752   66.419   12.271   44.082   16.946   91.042   17.792  125.846   29.352  190.603   19.974 -64.75679 35.50301 
1 1 1    9   25   17 f  172.911   14.047   71.225   10.944   88.965   18.736   62.036   13.484  187.555   21.375  158.267   18.230 29.28740 28.09323 
1 1 1    9   25   18 o  164.756   16.577   66.448   12.764   0.0000   0.0000   66.448   12.764  ?   ?   164.756   16.577      ?      ? 
1 1 1    9   25   19 o  155.317   14.370   60.845   9.7199   58.738   16.905   61.885   11.880  151.327   23.903  159.307   15.957 -7.979980 28.73964 
1 1 1    9   25   20 o  287.505   22.707  223.721   28.801  241.810   49.915  214.692   35.263  288.869   36.973  286.140   26.369 2.729004 45.41310 
1 1 1    9   25   21 o  130.234   14.460   44.987   7.9040   37.705   13.332   48.934   9.8148  118.646   24.840  141.821   14.808 -23.17551 28.91924 
1 1 1    9   25   22 o   43.183   16.768   3.1696   4.8469   0.0000   0.0000   3.1696   4.8469  ?   ?    43.183   16.768      ?      ? 
1 1 1    9   25   23 o   76.027   22.377   15.296   8.4845   0.0000   0.0000   15.296   8.4845  ?   ?    76.027   22.377      ?      ? 
1 1 1    9   25   24 o   69.386   21.392   12.531   7.6254   0.0000   0.0000   12.531   7.6254  ?   ?    69.386   21.392      ?      ? 
1 1 1    9   25   27 o  128.715   24.334   44.960   14.102   44.960   14.102   0.0000   0.0000  128.715   24.334  ?   ?       ?      ? 
1 1 1    9   25   28 o  133.588   16.884   47.867   10.079   65.453   14.853   32.857   13.722  159.852   19.882  107.323   27.295 52.52901 33.76867 
1 1 1    9   25   29 o   48.964   14.379   2.5352   5.2170   4.6123   8.7396   1.3853   6.5026   54.148   22.022   43.781   18.495 10.36682 28.75805 
1 1 1    9   25   30 o  129.905   16.986   50.410   7.9506   37.653   17.035   53.962   8.9898  111.058   31.414  148.753   12.931 -37.69482 33.97138 
1 1 1    9   25   31 o   48.255   14.018   2.5036   4.5391   6.0995   8.8814   1.2323   5.2809   56.619   22.482   39.890   16.750 16.72886 28.03554 
1 1 1    9   25   32 o  111.927   12.470   25.260   5.5272   46.367   12.632   20.262   6.1468  133.382   20.265   90.472   14.538 42.90985 24.93991 
1 1 1    9   25   33 o   67.881   13.654   12.414   4.6751   15.794   6.5072   8.8083   6.7210   76.950   18.352   58.811   20.221 18.13888 27.30728 
1 1 1    9   25   34 o  110.011   15.669   33.571   7.0459   33.845   8.2602   32.840   13.500  115.886   15.252  104.137   27.377 11.74931 31.33895 
1 1 1    9   25   35 o  116.976   17.276   42.948   8.4554   48.489   10.030   29.340   15.718  138.607   15.484   95.345   30.889 43.26222 34.55240 
1 1 1    9   25   36 o  113.045   14.704   36.121   7.1571   40.469   9.0613   28.910   11.670  126.685   15.305   99.405   25.112 27.28052 29.40782 
1 1 1    9   25   37 o   94.158   14.179   19.982   6.2393   43.484   11.213   9.4422   7.5091  128.315   18.698   60.000   21.319 68.31492 28.35707 
1 1 1    9   25   38 o   68.544   18.065   13.277   8.0392   18.976   11.405   7.6498   11.333   77.611   26.347   59.478   24.722 18.13264 36.12941 
1 1 1    9   25   39 o   65.246   12.662   11.372   4.5941   19.760   6.5636   3.3160   6.4325   85.230   17.073   45.262   18.703 39.96827 25.32387 
1 1 1    9   25   40 o   53.773   13.744   7.2730   4.5034   5.1851   6.3264   9.4178   6.4119   48.913   19.111   58.634   19.756 -9.720421 27.48701 
1 1 1    9   25   41 o  173.695   13.772   83.563   11.117   74.051   15.569   93.460   15.880  162.056   20.556  185.333   18.334 -23.27779 27.54456 
1 1 1    9   25   42 o   54.656   16.242   6.9294   7.0873   8.7302   9.3640   4.5143   10.844   56.802   22.903   52.509   23.034 4.292755 32.48304 
1 1 1    9   25   43 o  125.125   13.490   45.452   7.5606   51.554   10.481   38.833   10.916  137.393   16.324  112.857   21.481 24.53535 26.97983 
1 1 1    9   25   44 o   44.152   13.731   1.3551   5.5006  -1.9524   7.2853   5.7407   8.3890   38.179   17.599   50.124   21.082 -11.94473 27.46245 
1 1 1    9   25   45 o   81.272   13.556   19.998   5.0725   21.608   7.2326   18.439   7.1159   85.113   18.694   77.432   19.636 7.681358 27.11124 
1 1 1    9   25   46 o   43.507   17.509   4.2979   5.4613   0.0000   0.0000   4.2979   5.4613  ?   ?    43.507   17.509      ?      ? 
1 1 1    9   25   47 o   79.994   16.565   19.854   6.0236   33.120   11.745   15.120   7.0167   92.607   26.046   67.382   20.473 25.22504 33.12907 
1 1 1    9   26    0 o  143.946   8.8765   50.123   8.2973   50.123   8.2973   50.123   8.2973  143.946   12.553  143.946   12.553 -0.000000 0.000000 
1 1 1    9   26    1 o  121.610   10.335   35.854   5.8402   31.314   8.2001   40.527   8.3197  113.536   15.454  129.685   13.727 -16.14951 20.67026 
1 1 1    9   26    2 o  113.732   9.5877   31.656   4.9251   28.964   7.8537   33.400   6.3229  109.195   15.390  118.270   11.439 -9.075096 19.17548 
1 1 1    9   26    3 o  124.005   9.3671   36.638   5.3352   38.924   8.4588   35.129   6.8751  126.900   14.263  121.109   12.147 5.791740 18.73426 
1 1 1    9   26    4 o   27.600   8.8860  -2.5135   2.5245  -0.6223   3.8363  -3.9580   3.3528   31.483   13.758   23.717   11.250 7.766237 17.77203 
1 1 1    9   26    5 o   47.366   11.224   5.3552   3.1061   0.4512   5.7568   7.3692   3.6892   40.515   17.270   54.218   14.339 -13.70265 22.44739 
1 1 1    9   26    6 o   63.431   13.485   9.3931   4.1172   13.063   7.2772   7.6652   4.9932   71.154   20.662   55.708   17.333 15.44572 26.96926 
1 1 1    9   26    7 o  135.766   17.179   63.135   8.5549   23.830   17.111   76.235   9.8782   93.159   32.251  178.374   11.850 -85.21474 34.35894 
1 1 1    9   26    8 o  191.454   14.461   88.911   12.939   0.0000   0.0000   88.911   12.939  ?   ?   191.454   14.461      ?      ? 
1 1 1    9   26    9 o   71.627   13.254   12.728   4.2734   0.0000   0.0000   12.728   4.2734  ?   ?    71.627   13.254      ?      ? 
1 1 1    9   26   10 o   82.990   13.087   20.440   4.5883   10.329   9.1927   23.794   5.2950   66.211   23.581   99.770   11.356 -33.55840 26.17323 
1 1 1    9   26   11 o  116.999   14.927   36.539   7.3078   30.556   12.716   39.490   8.9298  106.462   25.822  127.537   14.982 -21.07458 29.85335 
1 1 1    9   26   12 o  203.096   14.823  100.010   14.070   0.0000   0.0000  100.010   14.070  ?   ?   203.096   14.823      ?      ? 
1 1 1    9   26   13 o  105.738   13.206   29.142   5.4077   26.033   10.764   30.191   6.2542   99.166   23.572  112.310   11.916 -13.14355 26.41267 
1 1 1    9   26   14 o  149.963   12.440   52.959   7.6572   60.709   15.360   50.396   8.8330  155.212   21.176  144.714   13.060 10.49893 24.87926 
1 1 1    9   26   15 o   54.810   11.905   4.1307   3.4631   14.759   6.6595   0.1911   4.0544   75.637   18.895   33.983   14.490 41.65400 23.81093 
1 1 1    9   26   16 o   68.003   17.213   11.841   5.4753   0.0000   0.0000   11.841   5.4753  ?   ?    68.003   17.213      ?      ? 
1 1 1    9   26   17 o   85.701   17.016   18.692   6.5751   0.0000   0.0000   18.692   6.5751  ?   ?    85.701   17.016      ?      ? 
1 1 1    9   26   18 o   26.340   13.237 -20.8976   7.2484   0.0000   0.0000 -20.8976   7.2484  ?   ?    26.340   13.237      ?      ? 
1 1 1    9   26   19 o  155.824   16.377   59.943   11.926   0.0000   0.0000   59.943   11.926  ?   ?   155.824   16.377      ?      ? 
1 1 1    9   26   20 o   51.503   19.103   5.5961   6.1169   0.0000   0.0000   5.5961   6.1169  ?   ?    51.503   19.103      ?      ? 
1 1 1    9   26   21 o   67.142   20.664   11.699   7.1186   0.0000   0.0000   11.699   7.1186  ?   ?    67.142   20.664      ?      ? 
1 1 1    9   26   23 o  113.253   23.381   34.655   11.965   34.655   11.965   0.0000   0.0000  113.253   23.381  ?   ?       ?      ? 
1 1 1    9   26   24 o  149.885   17.503   60.792   11.979   63.166   16.755   58.310   17.133  154.676   23.179  145.094   26.232 9.581345 35.00536 
1 1 1    9   26   25 o  103.561   15.444   28.773   6.8064   27.650   12.401   29.257   8.1425   98.671   26.382  108.450   16.065 -9.778114 30.88811 
1 1 1    9   26   26 o   64.595   14.788   9.0839   4.2497   14.834   9.7431   7.7328   4.7227   74.047   24.337   55.144   16.806 18.90318 29.57546 
1 1 1    9   26   27 o   48.576   13.446   4.4428   3.7615   2.7988   8.9067   4.7996   4.1497   51.557   21.706   45.595   15.877 5.962048 26.89265 
1 1 1    9   26   28 o   70.687   13.705   12.901   4.4467   14.495   7.8380   12.144   5.3999   73.182   21.499   68.193   17.002 4.989288 27.40936 
1 1 1    9   26   29 o  130.795   10.283   41.051   6.1674   54.098   9.6568   32.064   8.0149  148.093   13.953  113.496   15.110 34.59650 20.56685 
1 1 1    9   26   30 o  116.478   13.592   38.809   6.6536   56.174   9.1250   19.096   9.7225  151.126   12.920   81.829   23.917 69.29728 27.18359 
1 1 1    9   26   31 o   98.850   12.073   25.504   5.4118   22.582   7.7508   28.283   7.5596   91.784   18.704  105.916   15.272 -14.13261 24.14676 
1 1 1    9   26   32 o  150.068   12.383   58.199   8.6475   61.474   11.968   54.623   12.508  155.289   16.491  144.847   18.478 10.44249 24.76669 
1 1 1    9   26   33 o  155.113   12.149   64.789   8.2354   48.714   12.949   75.707   10.671  135.162   20.500  175.064   13.043 -39.90210 24.29765 
1 1 1    9   26   34 o  113.724   11.594   33.190   6.1605   32.354   8.7149   34.026   8.7095  112.147   16.628  115.300   16.163 -3.152893 23.18880 
1 1 1    9   26   35 o   58.874   16.171   7.3656   5.9945   4.7349   7.2061   13.276   10.801   49.757   20.081   67.992   25.351 -18.23521 32.34121 
1 1 1    9   26   36 o  109.446   16.342   34.414   7.4596   33.115   8.7658   37.825   14.204  111.910   16.760  106.980   28.061 4.929993 32.68493 
1 1 1    9   26   37 o   94.954   12.367   24.251   5.3244   19.470   7.3683   29.476   7.7023   83.218   19.317  106.689   15.448 -23.47094 24.73427 
1 1 1    9   26   38 o   93.359   13.367   24.203   5.6311   22.864   7.9903   25.524   7.9370   90.246   19.513   96.473   18.273 -6.227470 26.73321 
1 1 1    9   26   39 o   51.135   13.416   6.4095   5.0276  -7.7258   10.279   10.855   5.7642   40.696   19.414   61.574   18.522 -20.87808 26.83263 
1 1 1    9   26   40 o   70.053   15.131   14.902   5.9506   7.2493   8.2680   23.126   8.5710   53.283   21.508   86.823   21.287 -33.54035 30.26104 
1 1 1    9   26   41 f   79.867   13.847   19.572   5.2660   14.309   7.6201   24.383   7.2858   67.156   21.481   92.577   17.480 -25.42122 27.69437 
1 1 1    9   26   42 o   67.285   20.177   14.183   6.8483   14.183   6.8483   0.0000   0.0000   67.285   20.177  ?   ?       ?      ? 
1 1 1    9   26   43 o   60.012   20.284   11.298   6.7594   11.298   6.7594   0.0000   0.0000   60.012   20.284  ?   ?       ?      ? 
1 1 1    9   26   44 o   48.136   13.209   5.3017   5.1964   10.812   6.0867  -9.5116   9.9798   58.990   19.228   37.282   18.117 21.70707 26.41859 
1 1 1    9   26   45 o   41.180   12.400   1.3383   5.0053   7.2316   5.8394 -14.9847   9.7183   49.283   18.587   33.077   16.418 16.20567 24.80003 
1 1 1    9   27    0 o  244.571   15.443  148.776   24.506  148.776   24.506  148.776   24.506  244.571   21.840  244.571   21.840 -0.000000 0.000000 
1 1 1    9   27    1 o   43.061   11.982   2.7799   3.6186   4.5725   4.5470  -0.3164   5.9759   46.197   16.571   39.925   17.313 6.271702 23.96496 
1 1 1    9   27    2 f  159.900   11.423   62.525   8.5344   60.855   12.037   64.212   12.102  157.674   16.335  162.127   15.972 -4.452377 22.84611 
1 1 1    9   27    3 o   76.245   11.567   14.655   4.1416   20.905   5.9532   8.7919   5.7656   93.034   13.692   59.455   18.646 33.57888 23.13316 
1 1 1    9   27    4 o  131.980   12.540   41.070   7.4544   50.556   12.762   36.157   9.1842  142.417   19.173  121.543   16.168 20.87374 25.08058 
1 1 1    9   27    5 o  129.710   16.239   44.844   9.2936   62.921   13.270   27.444   13.020  159.488   17.804   99.933   27.165 59.55509 32.47897 
1 1 1    9   27    6 o   55.945   17.409   7.7613   5.0371   0.0000   0.0000   7.7613   5.0371  ?   ?    55.945   17.409      ?      ? 
1 1 1    9   27    7 o   57.189   16.293   8.2519   4.5652   0.0000   0.0000   8.2519   4.5652  ?   ?    57.189   16.293      ?      ? 
1 1 1    9   27    8 o  231.818   32.603  151.612   35.322   0.0000   0.0000  151.612   35.322  ?   ?   231.818   32.603      ?      ? 
1 1 1    9   27    9 f  130.078   15.140   41.341   9.2038   0.0000   0.0000   41.341   9.2038  ?   ?   130.078   15.140      ?      ? 
1 1 1    9   27   10 o   39.330   15.786   2.0607   4.4263   0.0000   0.0000   2.0607   4.4263  ?   ?    39.330   15.786      ?      ? 
1 1 1    9   27   11 o  143.005   22.857   52.933   15.276   0.0000   0.0000   52.933   15.276  ?   ?   143.005   22.857      ?      ? 
1 1 1    9   27   12 o   88.237   16.579   19.763   6.5856   0.0000   0.0000   19.763   6.5856  ?   ?    88.237   16.579      ?      ? 
1 1 1    9   27   13 o  239.576   34.581  168.251   38.719   0.0000   0.0000  168.251   38.719  ?   ?   239.576   34.581      ?      ? 
1 1 1    9   27   14 o   79.815   22.923   17.087   9.0015   0.0000   0.0000   17.087   9.0015  ?   ?    79.815   22.923      ?      ? 
1 1 1    9   27   17 o  202.029   22.353  128.530   17.538   84.394   30.329  150.704   21.497  159.781   40.548  244.277   18.830 -84.49597 44.70678 
1 1 1    9   27   18 f  206.371   17.339  112.124   15.724  117.440   27.316  109.490   19.229  205.617   28.426  207.126   19.865 -1.509125 34.67889 
1 1 1    9   27   19 o   70.016   14.263   12.018   5.5997   21.246   8.0227   3.2512   7.8195   89.816   19.658   50.215   20.672 39.60153 28.52691 
1 1 1    9   27   20 o  161.014   18.041   70.311   13.574   69.723   19.016   70.923   19.383  160.465   25.357  161.564   25.671 -1.099014 36.08274 
1 1 1    9   27   21 o  147.184   14.461   55.446   9.3239   57.530   16.301   54.433   11.367  146.742   23.770  147.627   16.475 -0.8845520 28.92119 
1 1 1    9   27   22 o   73.168   14.757   15.658   5.5714   6.5298   10.472   19.263   6.5801   59.914   24.198   86.422   16.897 -26.50839 29.51386 
1 1 1    9   27   23 o  129.115   15.462   47.408   7.2854   38.414   15.092   50.141   8.3189  114.649   28.330  143.581   12.397 -28.93174 30.92353 
1 1 1    9   27   24 o  140.855   14.845   51.511   7.9937   53.660   16.372   50.838   9.1598  137.795   26.383  143.916   13.619 -6.121063 29.69079 
1 1 1    9   27   25 o  118.058   18.088   39.369   9.7240   47.798   14.192   31.910   13.350  131.536   23.970  104.580   27.095 26.95517 36.17602 
1 1 1    9   27   26 o   97.067   15.919   26.385   6.7725   25.231   11.867   26.942   8.2476   92.796   26.209  101.339   18.077 -8.543083 31.83886 
1 1 1    9   27   27 o   72.103   16.047   13.616   5.2681   0.0000   0.0000   13.616   5.2681  ?   ?    72.103   16.047      ?      ? 
1 1 1    9   27   28 f  119.189   10.287   35.075   5.6773   39.404   8.7887   31.975   7.4373  125.142   15.027  113.236   14.054 11.90527 20.57473 
1 1 1    9   27   29 o   78.409   13.456   17.090   4.7914   13.867   8.5423   18.570   5.7875   70.574   22.761   86.244   14.359 -15.66984 26.91197 
1 1 1    9   27   30 o   56.500   12.853   8.5951   4.0135   4.3430   6.9520   10.721   4.9153   49.307   19.786   63.694   16.411 -14.38700 25.70591 
1 1 1    9   27   31 o   66.243   13.869   12.151   4.6336   13.511   6.2456   10.485   6.9105   70.317   18.686   62.170   20.499 8.147350 27.73774 
1 1 1    9   27   32 o   39.574   11.344   2.1117   3.4080  -0.9715   5.3424   4.2274   4.4254   35.546   15.851   43.601   16.233 -8.055317 22.68832 
1 1 1    9   27   33 o   64.393   11.460   11.662   3.9981   3.8046   6.0942   17.599   5.2976   45.541   18.437   83.244   13.617 -37.70348 22.92013 
1 1 1    9   27   34 o   46.727   12.564   4.8566   3.8036   5.9215   5.5049   3.8838   5.2616   49.296   18.152   44.158   17.377 5.138203 25.12886 
1 1 1    9   27   35 o   80.092   13.635   18.088   5.0543   19.623   7.0508   16.465   7.2491   84.260   18.419   75.924   20.110 8.336197 27.27038 
1 1 1    9   27   36 o   44.407   12.809   2.8831   4.6918   6.9192   5.2668 -12.6335   10.327   51.116   17.882   37.698   18.344 13.41868 25.61757 
1 1 1    9   27   37 o   95.172   16.568   26.051   6.6292   22.447   7.6876   36.505   13.092   87.660   19.288  102.684   26.943 -15.02435 33.13548 
1 1 1    9   27   38 o   49.451   13.151   6.4455   4.1118   6.4061   5.5044   6.4953   6.1848   49.076   18.137   49.826   19.047 -0.7505188 26.30138 
1 1 1    9   27   39 o   70.276   15.026   15.911   5.3464   14.800   8.6172   16.607   6.8171   66.633   22.897   73.918   19.465 -7.284584 30.05283 
1 1 1    9   27   40 o   41.644   12.273   3.1514   3.9534   2.9566   5.9251   3.3077   5.3077   41.886   17.673   41.402   17.036 0.4842186 24.54691 
1 1 1    9   27   41 o  102.624   16.955   35.224   7.5996   36.500   14.079   34.700   9.0278   95.047   29.027  110.201   17.529 -15.15437 33.90937 
1 1 1    9   27   42 f   40.824   12.895   1.4290   4.8619  -3.7697   9.5950   3.2248   5.6394   40.342   19.105   41.307   17.325 -0.9653358 25.79043 
1 1 1    9   27   43 o   58.854   16.600   12.699   6.7666   11.411   8.7072   14.662   10.752   56.843   22.358   60.865   24.542 -4.021732 33.19942 
1 1 1    9   28    0 o   52.583   18.056   10.132   7.3508   10.132   7.3508   10.132   7.3508   52.583   25.535   52.583   25.535 -0.000000 0.000000 
1 1 1    9   28    1 o  233.642   25.152  163.260   26.373  137.161   37.265  189.451   37.330  208.191   39.749  259.093   30.829 -50.90266 50.30326 
1 1 1    9   28    2 o   92.526   14.721   22.404   6.6348   11.699   9.1894   34.062   9.5895   68.197   23.633  116.854   17.559 -48.65791 29.44247 
1 1 1    9   28    3 o   59.132   14.672   8.2716   5.0963   10.272   6.9843   5.9939   7.4530   63.586   20.589   54.678   20.908 8.908230 29.34337 
1 1 1    9   28    4 o   63.925   14.375   10.007   5.2958   15.650   7.2373   3.5030   7.7698   77.106   19.937   50.745   20.715 26.36082 28.75022 
1 1 1    9   28    5 o  102.956   15.625   28.212   7.4577   34.429   10.474   21.820   10.621  116.712   19.203   89.200   24.655 27.51247 31.25072 
1 1 1    9   28    6 f  124.067   12.414   35.686   6.9198   49.834   11.956   28.560   8.4853  140.953   18.150  107.180   16.940 33.77292 24.82727 
1 1 1    9   28    7 o   73.539   15.132   14.323   5.7964   8.6966   8.4184   19.395   7.9927   61.368   22.470   85.709   20.272 -24.34139 30.26303 
1 1 1    9   28    8 o  133.398   15.643   43.886   9.7525   0.0000   0.0000   43.886   9.7525  ?   ?   133.398   15.643      ?      ? 
1 1 1    9   28    9 o   57.031   17.470   8.2312   5.0950   0.0000   0.0000   8.2312   5.0950  ?   ?    57.031   17.470      ?      ? 
1 1 1    9   28   10 o  229.759   24.904  172.059   22.043  114.000   38.011  201.479   27.058  179.427   45.317  280.090   20.671 -100.6626 49.80871 
1 1 1    9   28   11 o   66.231   13.213   10.376   5.2749  -0.9619   7.6992   20.405   7.2413   43.703   19.282   88.759   18.071 -45.05595 26.42636 
1 1 1    9   28   12 o  105.467   16.937   30.488   8.1613   28.865   11.641   32.056   11.445  102.192   24.657  108.742   23.227 -6.549583 33.87407 
1 1 1    9   28   13 o   86.504   13.433   22.188   5.8219   6.2350   9.3135   32.419   7.4588   57.897   23.012  115.111   13.865 -57.21361 26.86598 
1 1 1    9   28   14 o  132.884   14.298   44.233   8.4792   49.776   14.587   41.403   10.421  137.391   22.717  128.377   17.369 9.013809 28.59604 
1 1 1    9   28   15 o  279.147   23.735  226.013   29.448  262.431   50.928  207.721   36.094  286.692   38.010  271.601   28.435 15.09161 47.46902 
1 1 1    9   28   16 o  154.296   14.624   59.916   10.030   68.063   17.425   55.880   12.265  159.811   23.331  148.782   17.639 11.02950 29.24815 
1 1 1    9   28   17 o  127.831   14.579   42.126   8.1172   45.364   13.755   40.396   10.054  128.884   23.710  126.777   16.970 2.106934 29.15727 
1 1 1    9   28   18 o  112.993   15.805   36.268   7.6708   28.094   12.993   40.640   9.5037   98.365   27.300  127.621   15.934 -29.25578 31.61001 
1 1 1    9   28   19 o  122.167   17.144   37.662   9.7884   0.0000   0.0000   37.662   9.7884  ?   ?   122.167   17.144      ?      ? 
1 1 1    9   28   20 o  202.240   14.752  100.907   12.250  121.484   24.632   94.145   14.120  210.238   25.070  194.241   15.554 15.99631 29.50310 
1 1 1    9   28   21 o  237.105   20.217  147.211   22.402   0.0000   0.0000  147.211   22.402  ?   ?   237.105   20.217      ?      ? 
1 1 1    9   28   22 o  234.512   17.653  145.104   16.827  173.247   33.951  135.940   19.374  239.452   30.339  229.572   18.058 9.880096 35.30592 
1 1 1    9   28   23 o   90.613   13.298   20.328   5.6315   0.0000   0.0000   20.328   5.6315  ?   ?    90.613   13.298      ?      ? 
1 1 1    9   28   24 o  120.542   13.310   35.995   7.4983   0.0000   0.0000   35.995   7.4983  ?   ?   120.542   13.310      ?      ? 
1 1 1    9   28   25 o  161.345   13.707   65.134   9.0235   75.556   18.144   61.710   10.401  165.322   23.484  157.368   14.142 7.953659 27.41333 
1 1 1    9   28   26 o   78.960   15.654   16.208   5.5726   0.0000   0.0000   16.208   5.5726  ?   ?    78.960   15.654      ?      ? 
1 1 1    9   28   27 o  163.517   14.087   66.976   10.765   0.0000   0.0000   66.976   10.765  ?   ?   163.517   14.087      ?      ? 
1 1 1    9   28   28 o   90.125   13.574   17.806   4.7919   33.094   10.581   13.861   5.3747  108.164   21.686   72.085   16.332 36.07899 27.14780 
1 1 1    9   28   29 f  161.151   12.002   68.807   8.8673   54.431   12.406   83.823   12.679  141.857   18.713  180.445   15.035 -38.58824 24.00450 
1 1 1    9   28   30 o   99.497   12.391   24.659   5.1722   32.533   9.8000   21.619   6.0894  107.068   20.329   91.926   14.174 15.14192 24.78209 
1 1 1    9   28   31 o   98.879   13.343   27.430   5.9368   34.332   8.2313   19.947   8.5707  115.344   15.270   82.414   21.884 32.92997 26.68505 
1 1 1    9   28   32 o  193.259   12.766  101.976   11.097   90.241   17.417  109.996   14.398  179.738   20.734  206.781   14.899 -27.04295 25.53222 
1 1 1    9   28   33 o   75.964   12.244   15.276   4.2678   22.499   6.7884   10.555   5.4880   90.833   16.603   61.094   18.001 29.73907 24.48892 
1 1 1    9   28   34 o   88.942   12.137   21.774   4.8244   25.398   7.4356   19.138   6.3401   95.218   17.348   82.667   16.979 12.55113 24.27427 
1 1 1    9   28   35 o   45.863   12.083   4.4739   3.7685   8.8308   5.4001   0.3376   5.2616   55.366   18.114   36.359   15.995 19.00750 24.16548 
1 1 1    9   28   36 o   60.366   13.820   11.056   4.3925   10.869   7.2089   11.166   5.5396   59.278   20.907   61.454   18.080 -2.175362 27.63999 
1 1 1    9   28   37 o   55.305   14.050   9.1769   4.7838   6.1657   7.0914   11.692   6.4804   49.278   19.909   61.333   19.830 -12.05544 28.09982 
1 1 1    9   28   38 o  122.185   14.376   38.662   7.4131   28.532   8.6490   66.707   14.390   96.966   19.756  147.404   20.889 -50.43798 28.75173 
1 1 1    9   28   39 o   81.536   12.817   20.471   4.9847   27.202   6.8916   13.086   7.2186   99.886   14.763   63.186   20.957 36.69915 25.63454 
1 1 1    9   28   40 o   69.205   11.957   14.608   4.5651   24.063   6.4497   5.1156   6.4625   93.008   14.838   45.403   18.753 47.60534 23.91306 
1 1 1    9   29    0 o   50.423   15.942   9.0151   5.6526   9.0151   5.6526   9.0151   5.6526   50.423   22.546   50.423   22.546 -0.000000 0.000000 
1 1 1    9   29    1 o  236.829   21.986  147.123   24.335  147.123   24.335   0.0000   0.0000  236.829   21.986  ?   ?       ?      ? 
1 1 1    9   29    2 o   85.256   10.869   18.132   4.1311   18.882   6.6357   17.657   5.2789   85.468   17.208   85.043   13.282 0.4243164 21.73759 
1 1 1    9   29    3 o  184.655   13.768   83.766   10.456   95.343   20.762   79.832   12.103  189.152   23.486  180.157   14.375 8.994949 27.53583 
1 1 1    9   29    4 o  151.534   12.015   57.963   8.4122   48.734   11.923   67.111   11.871  138.535   18.415  164.532   15.438 -25.99702 24.02996 
1 1 1    9   29    5 o  128.044   11.490   40.730   6.7407   31.058   9.1950   51.967   9.9108  110.888   17.743  145.201   14.605 -34.31351 22.98066 
1 1 1    9   29    6 o   38.196   15.239   2.1244   4.0983   0.0000   0.0000   2.1244   4.0983  ?   ?    38.196   15.239      ?      ? 
1 1 1    9   29    7 o  164.812   15.717   77.281   9.3766   61.051   18.889   82.588   10.801  145.359   28.823  184.265   12.543 -38.90614 31.43383 
1 1 1    9   29    8 o  141.965   12.953   49.167   8.5938   0.0000   0.0000   49.167   8.5938  ?   ?   141.965   12.953      ?      ? 
1 1 1    9   29    9 o   84.282   14.025   18.820   4.9369   17.942   9.9933   19.104   5.6782   80.332   24.439   88.233   13.770 -7.900871 28.05097 
1 1 1    9   29   10 o  107.452   13.510   28.295   6.7843   0.0000   0.0000   28.295   6.7843  ?   ?   107.452   13.510      ?      ? 
1 1 1    9   29   11 o   98.556   14.845   26.141   6.5196   24.410   10.775   27.142   8.1887   93.249   24.431  103.863   16.870 -10.61382 29.68973 
1 1 1    9   29   12 o   67.662   13.684   11.918   4.3056   12.420   7.8613   11.703   5.1462   68.258   21.816   67.065   16.526 1.192886 27.36889 
1 1 1    9   29   13 o   58.971   14.578   8.5307   4.7588   8.4248   8.3884   8.5810   5.7787   60.006   22.347   57.936   18.725 2.069664 29.15511 
1 1 1    9   29   14 o   76.073   14.424   14.667   4.9930   19.283   8.7782   12.459   6.0707   83.633   22.119   68.513   18.518 15.12045 28.84731 
1 1 1    9   29   15 o   99.579   14.982   31.238   6.7259   14.302   11.743   39.506   8.2050   72.720   26.553  126.439   13.885 -53.71855 29.96396 
1 1 1    9   29   16 o  116.676   14.036   33.454   7.2221   47.253   12.482   26.510   8.8549  134.051   19.924   99.300   19.775 34.75105 28.07172 
1 1 1    9   29   17 o   69.081   13.110   10.114   4.1022   21.113   8.0043   6.1955   4.7772   88.052   19.917   50.110   17.052 37.94193 26.21911 
1 1 1    9   29   18 o  175.843   16.936   85.349   13.094   88.846   22.569   83.576   16.076  173.505   27.833  178.182   19.305 -4.676605 33.87235 
1 1 1    9   29   19 o  174.269   16.225   81.668   12.633   90.518   21.508   77.006   15.609  177.703   25.898  170.835   19.551 6.868683 32.44925 
1 1 1    9   29   20 o  120.095   15.640   43.695   7.0717   31.393   14.138   47.800   8.1667  100.755   28.660  139.436   12.532 -38.68035 31.27997 
1 1 1    9   29   21 o   78.340   13.980   16.797   4.7521   16.223   9.1479   17.010   5.5614   75.510   23.455   81.169   15.220 -5.658302 27.96037 
1 1 1    9   29   22 o  145.996   14.776   55.507   9.6095   64.165   16.645   51.178   11.769  151.707   23.476  140.284   17.951 11.42274 29.55262 
1 1 1    9   29   23 o  172.551   18.154   87.832   11.528   81.979   23.480   89.691   13.233  157.033   33.040  188.068   15.055 -31.03604 36.30880 
1 1 1    9   29   24 o   99.733   14.408   28.083   5.8066   26.336   11.349   28.702   6.7581   92.599   25.442  106.868   13.531 -14.26852 28.81658 
1 1 1    9   29   25 o  109.197   14.478   32.235   6.1258   35.927   12.688   31.113   6.9950  107.505   25.618  110.889   13.498 -3.384178 28.95622 
1 1 1    9   29   26 f   65.706   15.703   12.280   5.4368   13.540   9.9195   11.739   6.5001   67.215   24.425   64.197   19.743 3.018303 31.40662 
1 1 1    9   29   27 o   86.705   14.584   20.812   5.1739   22.215   10.931   20.407   5.8735   83.850   25.571   89.560   14.033 -5.709969 29.16815 
1 1 1    9   29   28 o  138.308   13.518   48.430   7.5186   59.599   15.581   45.040   8.5842  143.321   23.261  133.295   13.780 10.02545 27.03660 
1 1 1    9   29   29 o   89.432   14.839   24.502   5.4144   20.382   11.697   25.625   6.1082   78.276   26.682  100.589   12.993 -22.31319 29.67741 
1 1 1    9   29   30 o   37.270   10.947   1.6600   3.1465   3.2753   4.7329   0.3805   4.2122   41.025   16.373   33.516   14.534 7.509018 21.89354 
1 1 1    9   29   31 o   54.430   11.909   8.4833   3.6849   3.5708   5.7223   11.963   4.8164   43.329   17.743   65.532   15.890 -22.20385 23.81814 
1 1 1    9   29   32 o   43.979   11.645   4.7442   3.3270   2.3560   5.3641   6.2373   4.2413   40.088   16.859   47.870   16.068 -7.781956 23.28977 
1 1 1    9   29   33 o   30.211   9.9614  -2.6455   3.3333  -4.2622   5.6787  -1.7957   4.1173   31.320   14.792   29.102   13.347 2.217497 19.92285 
1 1 1    9   29   34 o   82.664   13.806   19.505   4.9595   25.250   8.9128   16.928   5.9689   88.856   21.659   76.473   17.127 12.38317 27.61266 
1 1 1    9   29   35 o   57.811   12.803   10.045   3.8479   9.3076   5.9396   10.579   5.0512   55.599   19.013   60.022   17.151 -4.422977 25.60539 
1 1 1    9   29   36 o   95.236   11.047   25.114   4.7337   26.323   7.3749   24.267   6.1731   95.317   17.188   95.154   13.881 0.1632919 22.09324 
1 1 1    9   29   37 o   68.289   14.742   16.563   5.3872   18.943   6.6892   12.172   9.0882   78.141   18.587   58.436   22.886 19.70465 29.48314 
1 1 1    9   30    0 o  255.752   17.333  170.258   28.681  170.258   28.681  170.258   28.681  255.752   24.513  255.752   24.513 -0.000000 0.000000 
1 1 1    9   30    1 o   83.029   14.398   18.978   5.4566   19.955   6.9140   17.364   8.8854   87.205   17.572   78.852   22.812 8.353638 28.79511 
1 1 1    9   30    2 o   78.369   14.302   15.398   5.1184   11.885   6.2968   22.240   8.7873   66.643   19.182   90.096   21.219 -23.45314 28.60433 
1 1 1    9   30    3 o   99.875   13.635   25.258   5.7821   29.335   10.569   23.517   6.9076  102.820   22.610   96.929   15.249 5.891190 27.27100 
1 1 1    9   30    4 o  183.489   17.434   94.825   11.933   89.366   24.162   96.585   13.724  170.360   31.509  196.619   14.935 -26.25903 34.86897 
1 1 1    9   30    5 o   97.865   13.291   24.220   5.3229   27.609   10.323   22.992   6.2124   99.387   22.720   96.342   13.798 3.044464 26.58181 
1 1 1    9   30    6 o  126.524   13.376   39.559   7.9094   0.0000   0.0000   39.559   7.9094  ?   ?   126.524   13.376      ?      ? 
1 1 1    9   30    7 o   68.275   12.431   12.253   3.9521   13.687   6.1179   11.226   5.1774   71.414   18.259   65.137   16.872 6.276962 24.86119 
1 1 1    9   30    8 o   86.305   13.873   19.797   5.2025   21.514   9.1521   18.977   6.3236   87.388   22.327   85.222   16.473 2.166245 27.74653 
1 1 1    9   30    9 f  128.558   15.780   49.874   7.4749   36.633   15.004   54.245   8.6209  108.574   29.015  148.542   12.418 -39.96840 31.56060 
1 1 1    9   30   10 o  237.989   21.143  166.538   22.317  193.270   38.708  153.227   27.314  243.689   33.987  232.289   25.160 11.40012 42.28691 
1 1 1    9   30   11 o  145.814   18.105   60.825   11.749   42.177   16.000   82.645   17.307  116.377   29.406  175.251   21.131 -58.87392 36.21063 
1 1 1    9   30   12 o  151.354   16.506   64.974   10.337   58.577   17.971   68.137   12.637  139.278   28.568  163.431   16.545 -24.15277 33.01296 
1 1 1    9   30   13 o  103.291   15.149   26.830   7.3130   0.0000   0.0000   26.830   7.3130  ?   ?   103.291   15.149      ?      ? 
1 1 1    9   30   14 o   77.770   13.709   17.330   5.1288   11.242   8.6743   20.602   6.3596   64.989   22.932   90.552   15.028 -25.56236 27.41743 
1 1 1    9   30   15 o   99.443   12.877   24.203   5.0872   30.079   10.425   22.366   5.8283  103.785   22.166   95.101   13.113 8.684418 25.75428 
1 1 1    9   30   16 o   58.872   15.364   8.6381   5.5857   9.1424   7.6176   8.0515   8.2149   59.695   21.444   58.049   22.009 1.645176 30.72876 
1 1 1    9   30   17 o   96.959   15.322   26.965   6.5288   23.803   11.521   28.461   7.9239   88.479   26.085  105.440   16.080 -16.96048 30.64341 
1 1 1    9   30   18 o   70.064   15.606   13.640   5.5202   15.669   9.3240   12.545   6.8496   73.092   23.797   67.036   20.197 6.056747 31.21246 
1 1 1    9   30   19 o   55.842   14.254   8.0881   4.8627   5.5544   7.5021   9.9238   6.3857   51.589   20.606   60.095   19.700 -8.506580 28.50797 
1 1 1    9   30   20 o  100.942   14.922   30.081   5.9789   26.755   12.117   31.151   6.8740   90.804   26.746  111.079   13.241 -20.27487 29.84438 
1 1 1    9   30   21 o  102.128   14.281   29.351   5.7394   29.311   11.591   29.364   6.6061   96.448   25.374  107.809   13.111 -11.36093 28.56110 
1 1 1    9   30   22 o   98.404   12.981   24.377   5.9699   0.0000   0.0000   24.377   5.9699  ?   ?    98.404   12.981      ?      ? 
1 1 1    9   30   23 o  100.841   13.859   26.295   5.4757   32.019   11.450   24.598   6.2349  103.006   24.196   98.676   13.520 4.329323 27.71719 
1 1 1    9   30   24 o   81.772   14.246   20.515   5.0743   14.797   10.599   22.215   5.7798   69.707   25.260   93.838   13.179 -24.13165 28.49141 
1 1 1    9   30   25 o   75.726   13.194   18.934   5.0077   7.1735   9.5838   23.351   5.8733   55.653   22.895   95.799   13.118 -40.14641 26.38713 
1 1 1    9   30   26 o   82.185   14.495   20.628   5.1264   18.526   10.685   21.257   5.8429   73.849   25.490   90.521   13.811 -16.67155 28.99093 
1 1 1    9   30   27 o   86.350   14.369   19.131   5.0157   30.496   10.537   15.801   5.7033   97.701   23.387   74.999   16.700 22.70223 28.73778 
1 1 1    9   30   28 o  134.468   13.021   45.149   7.3971   68.328   14.772   37.392   8.5457  151.185   20.907  117.750   15.529 33.43511 26.04296 
1 1 1    9   30   29 o   37.761   12.089  -0.1795   3.9054   0.5222   8.1829  -0.3865   4.4442   42.985   19.357   32.536   14.487 10.44931 24.17757 
1 1 1    9   30   30 o   31.064   14.037  -1.0207   4.3471   0.0000   0.0000  -1.0207   4.3471  ?   ?    31.064   14.037      ?      ? 
1 1 1    9   30   31 f   43.844   12.178   3.6480   3.5887   7.8834   6.0447   1.3424   4.4598   52.131   19.048   35.557   15.180 16.57402 24.35675 
1 1 1    9   30   32 o   48.918   12.049   6.4547   3.3432   8.5889   5.2925   5.0376   4.3125   53.915   17.947   43.922   16.083 9.992767 24.09897 
1 1 1    9   30   33 o   33.151   10.497  -0.3449   3.3626   0.4335   4.6514  -1.1971   4.8669   34.114   15.022   32.189   14.666 1.924881 20.99453 
1 1 1    9   30   34 o   35.909   11.388   0.1810   3.9205   1.1194   5.9725  -0.5295   5.1968   38.037   16.872   33.780   15.299 4.256702 22.77548 
1 1 1    9   31    2 o   49.461   14.837   2.5603   6.0054   0.5435   8.7483   4.3576   8.2586   47.220   20.702   51.702   21.260 -4.482056 29.67420 
1 1 1    9   31    3 o   50.573   11.752   5.1598   3.7283   11.347   5.3828  -0.5455   5.1691   65.162   17.362   35.984   15.841 29.17787 23.50316 
1 1 1    9   31    4 f   72.865   14.677   13.977   5.0570   18.095   8.6107   11.809   6.2481   79.819   22.249   65.912   19.147 13.90643 29.35368 
1 1 1    9   31    5 o  112.785   12.325   37.406   5.5762   18.733   8.6360   50.757   7.3024   81.174   22.148  144.397   10.821 -63.22320 24.65035 
1 1 1    9   31    6 o   47.591   11.297   5.1985   3.4003  -0.3221   5.3350   8.9753   4.4127   36.826   16.156   58.356   15.794 -21.53022 22.59350 
1 1 1    9   31    7 o   51.737   13.071   6.2183   4.0443   4.1109   5.4305   8.8429   6.0603   45.606   17.738   57.868   19.202 -12.26220 26.14111 
1 1 1    9   31    8 o   78.663   17.223   17.612   6.6536   16.142   8.0686   20.736   11.762   75.255   21.729   82.070   26.728 -6.814903 34.44618 
1 1 1    9   31    9 o   95.047   15.856   23.756   6.1540   21.445   7.0518   31.139   12.603   89.497   17.487  100.596   26.455 -11.09998 31.71173 
1 1 1    9   31   10 o   85.165   16.139   18.655   7.3678   6.3849   9.4498   37.677   11.766   55.933   22.840  114.396   22.808 -58.46360 32.27831 
1 1 1    9   31   11 o   83.227   15.290   18.787   5.9820   27.621   9.7719   13.492   7.5652   97.887   21.907   68.567   21.335 29.31939 30.57961 
1 1 1    9   31   12 o  103.559   14.740   33.816   6.1056   22.836   11.826   37.807   7.1293   84.072   26.746  123.047   12.397 -38.97458 29.47941 
1 1 1    9   31   13 o   45.555   12.183  -0.3498   3.5740   12.156   7.2485  -4.3667   4.1081   64.977   20.968   26.133   12.412 38.84403 24.36638 
1 1 1    9   31   14 o   86.840   16.715   23.229   7.0342   20.023   10.132   26.211   9.7730   79.879   24.664   93.801   22.568 -13.92186 33.43092 
1 1 1    9   31   15 o   40.418   16.093   2.9408   4.5625   0.0000   0.0000   2.9408   4.5625  ?   ?    40.418   16.093      ?      ? 
1 1 1    9   31   16 o   82.073   14.698   18.316   5.3200   23.026   9.6125   16.236   6.3875   87.559   23.141   76.587   18.127 10.97220 29.39568 
1 1 1    9   31   17 o   90.817   14.054   23.208   5.1066   22.442   10.571   23.441   5.8322   84.987   24.967   96.648   12.912 -11.66107 28.10869 
1 1 1    9   31   18 o  113.430   14.000   34.906   6.1325   36.963   12.482   34.252   7.0408  110.089   24.849  116.771   12.902 -6.681900 27.99904 
1 1 1    9   31   19 o   77.721   15.168   17.891   5.6282   17.677   8.9699   18.029   7.2282   76.008   23.160   79.433   19.593 -3.424820 30.33596 
1 1 1    9   31   20 o   88.864   15.032   25.555   6.3323   16.626   10.990   29.992   7.7477   71.125   25.730  106.603   15.551 -35.47754 30.06418 
1 1 1    9   31   21 o   97.055   12.579   21.746   5.0298   38.464   10.408   16.652   5.7453  116.527   19.112   77.583   16.360 38.94379 25.15799 
1 1 1    9   31   22 o  117.557   12.357   34.896   6.1522   47.370   12.033   30.481   7.1586  127.362   20.216  107.752   14.215 19.60998 24.71353 
1 1 1    9   31   23 f   52.804   13.938   6.9150   3.9688   9.9179   8.7289   6.1324   4.4561   57.890   22.496   47.717   16.462 10.17331 27.87572 
1 1 1    9   31   24 o   88.029   15.046   21.111   5.7722   34.567   10.745   15.654   6.8434  104.387   22.674   71.671   19.783 32.71645 30.09121 
1 1 1    9   31   25 o   84.218   14.660   21.175   5.1945   23.662   10.750   20.418   5.9332   81.092   25.465   87.344   14.535 -6.252373 29.32092 
1 1 1    9   31   26 o   69.200   14.866   14.786   5.0514   17.954   8.5622   13.095   6.2561   73.075   22.691   65.324   19.212 7.750633 29.73159 
1 1 1    9   31   27 o   79.868   19.502   19.502   7.2162   0.0000   0.0000   19.502   7.2162  ?   ?    79.868   19.502      ?      ? 
1 1 1    9   31   28 o   88.019   18.631   23.102   7.4252   0.0000   0.0000   23.102   7.4252  ?   ?    88.019   18.631      ?      ? 
1 1 1    9   31   29 o   74.947   15.753   17.417   5.4882   24.620   10.308   14.567   6.4837   81.896   24.799   67.998   19.432 13.89862 31.50548 
1 1 1    9   31   30 o   83.664   15.516   25.624   6.2968   19.915   11.011   28.399   7.6758   69.587   25.665   97.740   17.444 -28.15347 31.03185 
1 1 1    9   31   31 o   48.445   17.648   6.9917   5.1835   0.0000   0.0000   6.9917   5.1835  ?   ?    48.445   17.648      ?      ? 
1 1 1    9   32    0 o   98.361   13.031   26.265   7.6010   26.265   7.6010   26.265   7.6010   98.361   18.429   98.361   18.429 -0.000000 0.000000 
1 1 1    9   32    1 o  118.998   11.174   36.860   6.2095   35.107   8.7191   38.663   8.8454  115.898   16.097  122.097   15.501 -6.199486 22.34757 
1 1 1    9   32    2 o   95.738   15.230   28.628   6.4626   32.340   7.7732   20.320   11.630  112.160   14.829   79.316   26.607 32.84418 30.46055 
1 1 1    9   32    3 o  111.102   14.153   32.629   6.7824   29.178   8.2060   40.070   12.049  105.315   16.673  116.890   22.875 -11.57545 28.30615 
1 1 1    9   32    4 o  160.521   16.113   71.757   11.385   66.762   13.834   82.239   20.040  156.943   18.861  164.098   26.130 -7.154556 32.22649 
1 1 1    9   32    5 o   65.972   12.900   11.965   4.3418   7.1715   6.0684   16.993   6.2148   52.970   19.126   78.975   17.315 -26.00552 25.79971 
1 1 1    9   32    6 o   52.879   12.624   6.7541   3.8599   3.4882   5.1684   10.873   5.8040   43.171   17.148   62.586   18.532 -19.41519 25.24836 
1 1 1    9   32    7 o   97.501   12.277   25.658   5.3648   19.072   7.4993   32.562   7.6779   82.142   19.773  112.860   14.557 -30.71812 24.55328 
1 1 1    9   32    8 o   40.205   12.150   0.8588   4.0063   3.3315   6.3017  -0.8185   5.1901   45.238   18.583   35.172   15.658 10.06598 24.30009 
1 1 1    9   32    9 o   43.819   11.667   3.7523   3.4020   6.6894   4.9091   1.0386   4.7188   50.764   17.285   36.874   15.675 13.89002 23.33428 
1 1 1    9   32   10 o   54.843   12.791   7.9601   3.7994   6.6117   5.0719   9.6844   5.7354   50.568   17.556   59.117   18.606 -8.548534 25.58111 
1 1 1    9   32   11 o   45.913   11.112   4.6194   3.2387   0.2026   4.6348   8.8343   4.5276   34.878   15.185   56.948   16.226 -22.07013 22.22323 
1 1 1    9   32   12 o   92.442   14.388   28.635   6.2371   13.695   10.844   36.020   7.6244   66.456   25.265  118.428   13.775 -51.97259 28.77686 
1 1 1    9   32   13 f  117.447   13.475   35.470   7.3962   0.0000   0.0000   35.470   7.3962  ?   ?   117.447   13.475      ?      ? 
1 1 1    9   32   14 o  137.501   17.931   62.561   10.327   53.295   17.622   67.407   12.745  118.431   31.348  156.571   17.417 -38.14014 35.86134 
1 1 1    9   32   15 o   64.929   14.128   13.111   4.8192   9.7503   8.1277   14.933   5.9847   57.795   21.897   72.064   17.860 -14.26869 28.25697 
1 1 1    9   32   16 o   63.635   14.489   10.860   5.2159   19.963   8.2776   4.8654   6.7171   79.943   21.630   47.327   19.283 32.61590 28.97802 
1 1 1    9   32   17 o  173.261   14.575   80.903   10.481  109.149   21.004   71.538   12.094  184.135   24.408  162.387   15.936 21.74844 29.14979 
1 1 1    9   32   18 o   34.891   11.420  -2.2345   3.9220  -0.5367   7.3890  -2.9005   4.6276   40.266   18.239   29.515   13.749 10.75098 22.84086 
1 1 1    9   32   19 o   36.771   11.700  -0.1967   3.8749  -0.0000   7.1872  -0.2774   4.6008   40.332   18.154   33.210   14.766 7.122276 23.40069 
1 1 1    9   32   20 o   66.116   14.183   11.838   4.6694   20.847   8.2593   7.6063   5.6609   80.680   21.511   51.553   18.490 29.12674 28.36563 
1 1 1    9   32   21 o   66.484   15.970   12.578   4.8999   0.0000   0.0000   12.578   4.8999  ?   ?    66.484   15.970      ?      ? 
1 1 1    9   32   22 o   23.771   11.354  -3.8945   3.5370   0.0000   0.0000  -3.8945   3.5370  ?   ?    23.771   11.354      ?      ? 
1 1 1    9   32   23 o   58.668   15.535   10.640   6.2080   16.082   8.4736   4.3350   9.1210   68.794   22.700   48.543   21.214 20.25095 31.06975 
1 1 1    9   32   24 o   41.011   12.814  -2.8846   5.5686 -14.5348   8.0728   7.6910   7.6914   30.094   14.942   51.928   20.821 -21.83385 25.62751 
1 1 1    9   32   25 o   65.537   14.362   15.210   5.2196   9.1723   9.5236   17.802   6.2404   54.172   22.601   76.903   17.726 -22.73152 28.72358 
1 1 1    9   32   26 o   75.731   18.816   18.055   6.6302   0.0000   0.0000   18.055   6.6302  ?   ?    75.731   18.816      ?      ? 
1 1 1    9   33    0 o   32.495   15.129   0.5845   8.2815   0.5845   8.2815   0.5845   8.2815   32.495   21.396   32.495   21.396 -0.000000 0.000000 
1 1 1    9   33    1 o  171.908   17.621   91.350   13.354   82.702   16.227  109.495   23.505  167.141   20.774  176.675   28.467 -9.533615 35.24138 
1 1 1    9   33    2 o   86.193   16.983   20.857   6.5979   20.857   6.5979   0.0000   0.0000   86.193   16.983  ?   ?       ?      ? 
1 1 1    9   33    3 o   73.920   14.796   17.672   5.4590   19.906   6.7511   13.452   9.2787   83.385   17.862   64.455   23.592 18.92980 29.59111 
1 1 1    9   33    4 o   68.468   12.463   13.899   4.3690   7.1547   6.3231   20.061   6.0438   51.451   19.355   85.484   15.707 -34.03280 24.92619 
1 1 1    9   33    5 o  120.691   12.276   40.775   6.5853   31.801   9.2215   50.114   9.4072  103.919   19.709  137.463   14.643 -33.54471 24.55300 
1 1 1    9   33    6 o   41.535   12.425   2.4906   4.0085   3.1033   6.7419   2.1556   4.9854   44.191   18.759   38.880   16.297 5.311287 24.84983 
1 1 1    9   33    7 o   59.510   13.264   10.194   3.9068   11.062   7.1906   9.8303   4.6535   60.117   20.902   58.902   16.334 1.215149 26.52707 
1 1 1    9   33    8 o   40.969   11.903   1.6965   3.8395   6.5963   5.8530  -2.0047   5.0870   49.659   18.633   32.280   14.815 17.37903 23.80508 
1 1 1    9   33    9 o   87.930   12.499   22.205   4.9543   22.474   6.8756   21.915   7.1450   88.977   17.156   86.882   18.180 2.094559 24.99728 
1 1 1    9   33   10 o  121.613   11.807   40.890   6.6982   37.831   9.2016   44.339   9.7693  116.568   16.890  126.659   16.504 -10.09056 23.61491 
1 1 1    9   33   11 o   47.982   11.545   3.6578   4.4512 -11.8972   7.3005   12.862   5.6158   29.881   14.720   66.082   17.789 -36.20121 23.09014 
1 1 1    9   33   12 o   37.308   11.102   0.7759   3.3868  -2.1431   4.4139   4.9546   5.2811   29.636   13.674   44.981   17.493 -15.34405 22.20325 
1 1 1    9   33   13 o   52.938   13.745   7.7451   4.3866   10.691   7.0470   5.8814   5.6050   58.518   20.667   47.358   18.126 11.15980 27.48965 
1 1 1    9   33   14 f   74.418   13.164   18.202   5.0450   9.5318   8.3188   23.245   6.3451   55.941   21.899   92.895   14.615 -36.95410 26.32830 
1 1 1    9   33   15 o   54.010   12.187   8.1060   4.5042  -3.3505   7.4244   14.778   5.6660   36.848   17.248   71.171   17.221 -34.32277 24.37310 
1 1 1    9   33   16 o   85.947   17.365   25.921   7.3213   26.164   10.572   25.697   10.149   85.845   24.897   86.049   24.215 -0.2038651 34.73076 
1 1 1    9   33   17 o   68.370   16.035   15.348   5.9159   19.938   9.3583   12.294   7.6350   75.372   23.773   61.367   21.526 14.00541 32.07069 
1 1 1    9   33   18 o   48.497   13.329   5.2315   4.9919  -2.7606   7.6545   11.146   6.5849   37.698   17.602   59.296   20.020 -21.59823 26.65798 
1 1 1    9   33   19 o   98.212   25.570   35.501   11.851   0.0000   0.0000   35.501   11.851  ?   ?    98.212   25.570      ?      ? 
1 1 1    9   33   20 f   37.154   16.075   1.6551   5.1290   0.0000   0.0000   1.6551   5.1290  ?   ?    37.154   16.075      ?      ? 
1 1 1    9   33   21 o   38.686   17.264   1.0998   6.3510   0.0000   0.0000   1.0998   6.3510  ?   ?    38.686   17.264      ?      ? 
1 1 1    9   34    0 o   23.436   11.803  -9.0842   8.0142  -9.0842   8.0142  -9.0842   8.0142   23.436   16.692   23.436   16.692 -0.000000 0.000000 
1 1 1    9   34    1 o   79.245   15.243   17.952   5.6280   30.216   10.044   12.339   6.7950   96.035   22.731   62.454   20.314 33.58102 30.48537 
1 1 1    9   34    2 f   80.472   17.765   23.475   7.4031   23.518   10.999   23.439   10.010   79.387   25.847   81.557   24.380 -2.170311 35.53097 
1 1 1    9   34    3 o   63.216   16.197   13.523   6.1410   13.229   9.5706   13.728   8.0065   62.150   23.710   64.282   22.072 -2.132004 32.39336 
1 1 1    9   34    4 o   67.679   16.706   15.866   6.4309   17.377   9.9953   14.799   8.4006   69.267   24.598   66.091   22.611 3.176079 33.41120 
1 1 1    9   34    5 o   68.736   14.394   15.236   4.9130   15.885   6.0635   13.997   8.3830   73.141   17.887   64.332   22.557 8.808647 28.78803 
1 1 1    9   34    6 f   82.487   16.761   23.489   6.8800   19.486   9.4591   27.985   10.025   74.091   23.958   90.883   23.448 -16.79255 33.52236 
1 1 1    9   34    7 o   37.962   11.649   1.5426   3.4946   1.8582   6.6923   1.4243   4.0976   41.328   18.113   34.596   14.652 6.732342 23.29757 
1 1 1    9   34    8 o  118.500   16.978   49.573   8.6561   40.564   14.794   54.263   10.674   98.289   29.697  138.710   16.466 -40.42067 33.95646 
1 1 1    9   34    9 o   52.438   13.416   8.3580   4.2796   6.4501   7.0164   9.4883   5.4006   49.011   19.803   55.865   18.106 -6.854710 26.83294 
1 1 1    9   34   10 o  107.701   15.652   36.789   7.3655   44.007   12.388   32.842   9.1605  112.506   24.273  102.896   19.768 9.609642 31.30425 
1 1 1    9   34   11 o   78.864   19.135   19.489   6.9806   0.0000   0.0000   19.489   6.9806  ?   ?    78.864   19.135      ?      ? 
1 1 1    9   34   12 o  120.011   15.834   47.117   8.2650   51.832   13.994   44.590   10.242  117.829   26.099  122.194   17.935 -4.365730 31.66783 
1 1 1    9   34   13 o   50.017   12.267   7.4243   4.1330   0.0000   6.8274   11.719   5.1925   38.232   17.401   61.803   17.296 -23.57056 24.53429 
1 1 1    9   34   14 o   40.387   16.315   3.7458   4.7614   0.0000   0.0000   3.7458   4.7614  ?   ?    40.387   16.315      ?      ? 
1 1 1   10    0    1 o  175.986   17.424   76.783   19.129   76.783   19.129   76.783   19.129  175.986   24.641  175.986   24.641 -0.000000 0.000000 
1 1 1   10    0    2 o  566.943   31.210  774.569  115.318  774.569  115.318  774.569  115.318  566.943   44.138  566.943   44.138 -0.000000 0.000000 
1 1 1   10    0    3 o  215.812   19.910  114.817   27.063  114.817   27.063  114.817   27.063  215.812   28.158  215.812   28.158 -0.000000 0.000000 
1 1 1   10    0    4 o  274.669   11.128  178.323   20.049  178.323   20.049  178.323   20.049  274.669   15.737  274.669   15.737 -0.000000 0.000000 
1 1 1   10    0    5 o  624.238   23.516  925.287   96.393  925.287   96.393  925.287   96.393  624.238   33.257  624.238   33.257 -0.000000 0.000000 
1 1 1   10    0    6 o  157.371   7.5255   58.707   7.7452   58.707   7.7452   58.707   7.7452  157.371   10.643  157.371   10.643 -0.000000 0.000000 
1 1 1   10    0    7 o  157.903   7.5343   59.102   7.7808   59.102   7.7808   59.102   7.7808  157.903   10.655  157.903   10.655 -0.000000 0.000000 
1 1 1   10    0    8 o  378.125   14.907  338.259   36.990  338.259   36.990  338.259   36.990  378.125   21.082  378.125   21.082 -0.000000 0.000000 
1 1 1   10    0    9 o  692.075   26.220  1139.78  119.147  1139.78  119.147  1139.78  119.147  692.075   37.080  692.075   37.080 -0.000000 0.000000 
1 1 1   10    0   10 o  243.295   12.089  140.643   19.220  140.643   19.220  140.643   19.220  243.295   17.097  243.295   17.097 -0.000000 0.000000 
1 1 1   10    0   11 o  266.264   15.743  169.693   27.260  169.693   27.260  169.693   27.260  266.264   22.264  266.264   22.264 -0.000000 0.000000 
1 1 1   10    0   12 o  275.405   12.817  179.941   23.099  179.941   23.099  179.941   23.099  275.405   18.127  275.405   18.127 -0.000000 0.000000 
1 1 1   10    0   13 o  300.322   14.073  214.118   27.651  214.118   27.651  214.118   27.651  300.322   19.902  300.322   19.902 -0.000000 0.000000 
1 1 1   10    0   14 o  391.226   17.602  363.633   45.091  363.633   45.091  363.633   45.091  391.226   24.893  391.226   24.893 -0.000000 0.000000 
1 1 1   10    0   15 o  300.871   18.137  217.230   35.463  217.230   35.463  217.230   35.463  300.871   25.649  300.871   25.649 -0.000000 0.000000 
1 1 1   10    0   16 o  138.288   10.204   46.213   9.0937   46.213   9.0937   46.213   9.0937  138.288   14.430  138.288   14.430 -0.000000 0.000000 
1 1 1   10    0   17 o   87.756   10.638   19.542   5.6257   19.542   5.6257   19.542   5.6257   87.756   15.044   87.756   15.044 -0.000000 0.000000 
1 1 1   10    0   19 o   99.150   19.468   27.813   11.036   27.813   11.036   27.813   11.036   99.150   27.532   99.150   27.532 -0.000000 0.000000 
1 1 1   10    0   20 o  235.152   21.883  137.001   32.375  137.001   32.375  137.001   32.375  235.152   30.948  235.152   30.948 -0.000000 0.000000 
1 1 1   10    0   23 o  675.958   58.212  1193.88  249.773  1193.88  249.773  1193.88  249.773  675.958   82.324  675.958   82.324 -0.000000 0.000000 
1 1 1   10    0   24 o  279.663   16.775  187.959   30.493  187.959   30.493  187.959   30.493  279.663   23.723  279.663   23.723 -0.000000 0.000000 
1 1 1   10    0   25 o  257.745   15.625  159.656   26.167  159.656   26.167  159.656   26.167  257.745   22.096  257.745   22.096 -0.000000 0.000000 
1 1 1   10    0   26 o  164.926   12.217   65.879   12.983   65.879   12.983   65.879   12.983  164.926   17.277  164.926   17.277 -0.000000 0.000000 
1 1 1   10    0   27 o  212.771   13.872  109.039   19.126  109.039   19.126  109.039   19.126  212.771   19.618  212.771   19.618 -0.000000 0.000000 
1 1 1   10    0   28 o  665.195   37.908  1108.44  164.172  1108.44  164.172  1108.44  164.172  665.195   53.610  665.195   53.610 -0.000000 0.000000 
1 1 1   10    0   29 o  284.268   15.889  194.476   29.424  194.476   29.424  194.476   29.424  284.268   22.471  284.268   22.471 -0.000000 0.000000 
1 1 1   10    0   30 o  294.522   17.182  209.611   32.922  209.611   32.922  209.611   32.922  294.522   24.299  294.522   24.299 -0.000000 0.000000 
1 1 1   10    0   31 o   41.953   15.622   6.0254   5.7571   6.0254   5.7571   6.0254   5.7571   41.953   22.093   41.953   22.093 -0.000000 0.000000 
1 1 1   10    0   32 o  254.992   23.589  163.536   37.871  163.536   37.871  163.536   37.871  254.992   33.360  254.992   33.360 -0.000000 0.000000 
1 1 1   10    0   33 f  311.743   18.554  236.075   37.607  236.075   37.607  236.075   37.607  311.743   26.240  311.743   26.240 -0.000000 0.000000 
1 1 1   10    0   34 o  192.715   13.348   90.164   16.628   90.164   16.628   90.164   16.628  192.715   18.877  192.715   18.877 -0.000000 0.000000 
1 1 1   10    0   35 o  232.579   14.742  131.284   22.243  131.284   22.243  131.284   22.243  232.579   20.849  232.579   20.849 -0.000000 0.000000 
1 1 1   10    0   36 o   25.155   12.001  -2.5852   5.7914  -2.5852   5.7914  -2.5852   5.7914   25.155   16.972   25.155   16.972 -0.000000 0.000000 
1 1 1   10    0   37 o  161.131   19.500   67.271   18.941   67.271   18.941   67.271   18.941  161.131   27.577  161.131   27.577 -0.000000 0.000000 
1 1 1   10    0   38 o  156.662   19.540   63.959   18.353   63.959   18.353   63.959   18.353  156.662   27.634  156.662   27.634 -0.000000 0.000000 
1 1 1   10    0   40 o  202.632   21.757  106.260   27.148  106.260   27.148  106.260   27.148  202.632   30.769  202.632   30.769 -0.000000 0.000000 
1 1 1   10    0   41 o  188.171   10.852   85.439   13.290   85.439   13.290   85.439   13.290  188.171   15.347  188.171   15.347 -0.000000 0.000000 
1 1 1   10    0   42 o  167.789   12.433   69.127   13.441   69.127   13.441   69.127   13.441  167.789   17.583  167.789   17.583 -0.000000 0.000000 
1 1 1   10    0   43 o  105.285   14.099   29.010   8.7857   29.010   8.7857   29.010   8.7857  105.285   19.938  105.285   19.938 -0.000000 0.000000 
1 1 1   10    0   44 o  183.302   13.643   82.799   16.110   82.799   16.110   82.799   16.110  183.302   19.294  183.302   19.294 -0.000000 0.000000 
1 1 1   10    0   45 o  134.130   9.9307   43.963   8.5828   43.963   8.5828   43.963   8.5828  134.130   14.044  134.130   14.044 -0.000000 0.000000 
1 1 1   10    0   46 o  181.342   10.502   79.632   12.392   79.632   12.392   79.632   12.392  181.342   14.851  181.342   14.851 -0.000000 0.000000 
1 1 1   10    0   47 o   33.357   14.157   2.8444   5.6093   2.8444   5.6093   2.8444   5.6093   33.357   20.021   33.357   20.021 -0.000000 0.000000 
1 1 1   10    0   48 o   32.000   13.803   2.2841   5.5142   2.2841   5.5142   2.2841   5.5142   32.000   19.520   32.000   19.520 -0.000000 0.000000 
1 1 1   10    0   49 o   38.675   15.210   4.9987   5.7549   4.9987   5.7549   4.9987   5.7549   38.675   21.510   38.675   21.510 -0.000000 0.000000 
1 1 1   10    0   50 o   37.851   15.426   4.5094   6.2084   4.5094   6.2084   4.5094   6.2084   37.851   21.816   37.851   21.816 -0.000000 0.000000 
1 1 1   10    0   51 o  164.384   13.202   67.326   13.866   67.326   13.866   67.326   13.866  164.384   18.671  164.384   18.671 -0.000000 0.000000 
1 1 1   10    0   52 f  101.090   11.988   26.336   7.3328   26.336   7.3328   26.336   7.3328  101.090   16.954  101.090   16.954 -0.000000 0.000000 
1 1 1   10    0   53 o   87.327   19.083   23.280   9.6400   23.280   9.6400   23.280   9.6400   87.327   26.987   87.327   26.987 -0.000000 0.000000 
1 1 1   10    0   54 o  215.437   24.263  128.433   31.922  128.433   31.922  128.433   31.922  215.437   34.312  215.437   34.312 -0.000000 0.000000 
1 1 1   10    0   55 o   32.889   14.817   1.1980   7.1061   1.1980   7.1061   1.1980   7.1061   32.889   20.955   32.889   20.955 -0.000000 0.000000 
1 1 1   10    0   56 o   71.440   17.391   16.259   7.3890   16.259   7.3890   16.259   7.3890   71.440   24.594   71.440   24.594 -0.000000 0.000000 
1 1 1   10    0   57 o   44.867   18.858   6.4188   9.7678   6.4188   9.7678   6.4188   9.7678   44.867   26.669   44.867   26.669 -0.000000 0.000000 
1 1 1   10    0   58 o  140.640   14.919   52.015   12.948   52.015   12.948   52.015   12.948  140.640   21.098  140.640   21.098 -0.000000 0.000000 
1 1 1   10    0   59 o   34.614   16.712  -4.9020   11.933  -4.9020   11.933  -4.9020   11.933   34.614   23.634   34.614   23.634 -0.000000 0.000000 
1 1 1   10    0   60 o   20.956   10.560  -8.6181   6.4462  -8.6181   6.4462  -8.6181   6.4462   20.956   14.934   20.956   14.934 -0.000000 0.000000 
1 1 1   10    0   61 o   23.258   11.763 -11.3475   8.2861 -11.3475   8.2861 -11.3475   8.2861   23.258   16.635   23.258   16.635 -0.000000 0.000000 
1 1 1   10    0   62 o  139.442   12.531   50.539   11.040   50.539   11.040   50.539   11.040  139.442   17.722  139.442   17.722 -0.000000 0.000000 
1 1 1   10    0   63 o   35.313   15.419   3.4621   7.0747   3.4621   7.0747   3.4621   7.0747   35.313   21.806   35.313   21.806 -0.000000 0.000000 
1 1 1   10    0   64 o   29.689   13.924  -0.2684   7.2239  -0.2684   7.2239  -0.2684   7.2239   29.689   19.691   29.689   19.691 -0.000000 0.000000 
1 1 1   10    0   65 o   20.931   10.643 -10.5604   7.1818 -10.5604   7.1818 -10.5604   7.1818   20.931   15.052   20.931   15.052 -0.000000 0.000000 
1 1 1   10    0   66 o   72.238   24.988   25.650   14.122   25.650   14.122   25.650   14.122   72.238   35.339   72.238   35.339 -0.000000 0.000000 
1 1 1   10    1    0 f  288.965   16.770  199.776   31.531  199.776   31.531  199.776   31.531  288.965   23.716  288.965   23.716 -0.000000 0.000000 
1 1 1   10    1    1 o  1193.12   54.291  3600.43  302.605  3490.03  427.945  3710.83  427.952  1173.32   78.042  1212.92   75.495 -39.59668 108.5819 
1 1 1   10    1    2 o  347.401   19.119  284.949   31.032  293.069   43.891  276.832   43.880  352.401   26.650  342.401   27.421 9.999603 38.23782 
1 1 1   10    1    3 o  633.001   31.030  957.831   90.069  980.740  142.415  942.560  116.277  637.744   47.782  628.257   39.602 9.486694 62.06004 
1 1 1   10    1    4 o  414.301   19.970  398.933   38.116  444.156   60.274  368.797   49.203  433.291   29.765  395.310   26.632 37.98117 39.94033 
1 1 1   10    1    5 o  856.695   35.184  1776.32  139.305  1785.86  184.283  1763.61  212.791  861.603   45.765  851.787   53.454 9.816406 70.36877 
1 1 1   10    1    6 o  587.502   24.237  824.138   65.658  848.092   86.859  792.201  100.292  598.373   31.060  576.631   37.216 21.74146 48.47411 
1 1 1   10    1    7 f  472.227   19.075  525.868   41.687  522.080   55.144  530.920   63.680  470.574   25.074  473.880   28.754 -3.305542 38.15095 
1 1 1   10    1    8 o  745.230   30.183  1333.65  103.928  1345.61  137.482  1317.69  158.755  750.625   39.191  739.834   45.915 10.79095 60.36592 
1 1 1   10    1    9 o  966.188   39.181  2259.85  175.623  2135.95  232.322  2425.07  268.277  937.248   53.039  995.128   57.685 -57.88031 78.36229 
1 1 1   10    1   10 o  556.848   30.443  744.120   79.209  761.531  112.002  726.698  112.035  563.542   42.526  550.154   43.574 13.38892 60.88644 
1 1 1   10    1   11 o  562.920   27.510  750.716   71.139  725.451   91.827  788.640  112.505  552.152   35.585  573.687   41.962 -21.53491 55.01905 
1 1 1   10    1   12 o  346.046   16.845  277.727   26.844  258.216   34.635  307.077   42.480  331.228   22.374  360.864   25.188 -29.63635 33.69044 
1 1 1   10    1   13 o  472.624   32.853  562.789   60.978  586.655   70.409  491.173  121.968  497.741   30.268  447.507   58.318 50.23331 65.70510 
1 1 1   10    1   14 o  154.704   11.645   54.526   7.3730   52.864   8.5035   59.559   14.799  150.240   12.111  159.168   19.895 -8.928726 23.29094 
1 1 1   10    1   15 o  394.552   28.162  379.963   48.390  392.498   59.246  354.848   83.865  406.496   31.186  382.608   46.901 23.88803 56.32338 
1 1 1   10    1   16 o  745.968   54.806  1463.22  177.553  1496.10  217.450  1397.44  307.554  773.950   60.118  717.987   91.656 55.96252 109.6130 
1 1 1   10    1   17 o  317.149   17.505  238.763   25.801  209.800   36.442  267.877   36.536  297.562   26.205  336.735   23.216 -39.17258 35.00962 
1 1 1   10    1   18 o  237.140   16.935  130.416   17.909  141.431   30.790  124.784   22.017  244.189   26.980  230.091   20.475 14.09741 33.86922 
1 1 1   10    1   19 o  371.255   28.837  327.710   50.034   0.0000   0.0000  327.710   50.034  ?   ?   371.255   28.837      ?      ? 
1 1 1   10    1   20 o  317.830   36.351  242.920   53.995   0.0000   0.0000  242.920   53.995  ?   ?   317.830   36.351      ?      ? 
1 1 1   10    1   22 o  319.811   36.599  246.484   54.702  246.484   54.702   0.0000   0.0000  319.811   36.599  ?   ?       ?      ? 
1 1 1   10    1   23 o  473.732   53.903  560.847  119.342  560.847  119.342   0.0000   0.0000  473.732   53.903  ?   ?       ?      ? 
1 1 1   10    1   24 o  147.928   16.175   56.673   9.7448   63.591   11.918   42.717   16.927  164.450   15.507  131.406   28.392 33.04416 32.35085 
1 1 1   10    1   25 o  310.737   17.589  229.679   25.517  241.815   36.112  217.578   36.062  319.078   24.217  302.396   25.517 16.68201 35.17899 
1 1 1   10    1   26 o  478.302   26.728  556.051   59.672  586.797   84.397  525.316   84.380  492.052   36.701  464.552   38.865 27.50024 53.45501 
1 1 1   10    1   27 o  271.471   15.648  175.546   19.689  201.938   27.921  149.444   27.768  292.147   20.450  250.794   23.691 41.35367 31.29620 
1 1 1   10    1   28 o  240.808   14.256  137.690   16.035  132.795   22.729  142.540   22.625  236.470   20.567  245.146   19.748 -8.675735 28.51244 
1 1 1   10    1   29 f  195.779   12.839   91.970   11.519  112.864   16.335   71.302   16.246  218.483   15.998  173.075   20.085 45.40842 25.67703 
1 1 1   10    1   30 o  167.836   11.956   66.813   9.3385   74.684   13.329   59.224   13.087  177.669   16.053  158.002   17.723 19.66747 23.91258 
1 1 1   10    1   31 o  238.357   14.648  135.755   16.275  147.531   23.099  124.146   22.935  248.835   19.862  227.878   21.535 20.95650 29.29632 
1 1 1   10    1   32 o  271.218   15.294  176.150   19.372  169.247   27.433  183.018   27.361  265.777   22.086  276.659   21.161 -10.88156 30.58726 
1 1 1   10    1   33 o  335.274   24.304  276.946   36.013  270.700   44.144  289.377   62.273  332.982   28.367  337.566   39.473 -4.584473 48.60835 
1 1 1   10    1   34 o  114.054   11.609   30.891   6.1849   31.274   8.9093   30.535   8.5927  114.713   16.618  113.395   16.214 1.317924 23.21783 
1 1 1   10    1   35 o  258.313   15.751  161.441   19.000  169.256   26.948  153.715   26.792  264.723   21.781  251.902   22.758 12.82103 31.50150 
1 1 1   10    1   36 o  123.854   11.369   37.191   6.4207   45.941   9.0239   28.218   9.1377  139.177   13.873  108.530   18.016 30.64742 22.73828 
1 1 1   10    1   37 o  229.377   15.620  118.042   16.049   94.649   19.587  165.826   27.995  197.763   21.193  260.991   22.952 -63.22765 31.23963 
1 1 1   10    1   38 o  256.699   21.879  160.272   26.248  160.272   26.248   0.0000   0.0000  256.699   21.879  ?   ?       ?      ? 
1 1 1   10    1   39 o  231.906   19.976  130.256   21.650  130.256   21.650   0.0000   0.0000  231.906   19.976  ?   ?       ?      ? 
1 1 1   10    1   40 o   47.791   13.071   3.5692   4.3051   6.1980   5.1785  -2.3129   7.7463   52.373   17.754   43.209   19.188 9.163681 26.14154 
1 1 1   10    1   41 o  114.751   10.559   30.947   5.6072   27.147   7.3399   36.272   8.6892  106.486   14.749  123.015   15.114 -16.52911 21.11772 
1 1 1   10    1   42 o  138.509   10.660   46.050   6.8079   45.819   8.9244   46.371   10.529  138.403   13.797  138.615   16.253 -0.2119446 21.31976 
1 1 1   10    1   43 o   94.869   11.876   20.978   4.9712   36.059   7.9205   11.176   6.3857  122.856   13.795   66.883   19.336 55.97247 23.75219 
1 1 1   10    1   44 o  347.361   17.785  301.692   28.364  316.612   44.830  291.733   36.627  352.302   27.228  342.420   22.888 9.881256 35.56940 
1 1 1   10    1   45 o  166.555   10.329   68.269   7.7758   86.675   10.920   49.336   11.075  190.573   12.261  142.537   16.625 48.03583 20.65745 
1 1 1   10    1   46 o   39.701   11.932   0.2346   3.9520   2.5606   4.9287  -3.9540   6.6138   42.269   16.759   37.134   16.988 5.135006 23.86325 
1 1 1   10    1   47 o   73.989   13.628   13.493   4.7106   17.103   7.4728   11.113   6.0681   81.684   19.785   66.293   18.748 15.39082 27.25662 
1 1 1   10    1   48 o  182.472   11.328   80.697   9.4658   80.417   12.229   81.115   14.951  182.752   14.318  182.193   17.559 0.5592041 22.65681 
1 1 1   10    1   49 o  236.042   11.818  135.607   13.019  127.385   18.396  143.857   18.426  228.584   17.220  243.500   16.192 -14.91615 23.63678 
1 1 1   10    1   50 o  170.546   10.365   70.554   8.2609   70.618   11.736   70.490   11.630  170.597   14.720  170.495   14.596 0.1020050 20.72953 
1 1 1   10    1   51 o   76.491   13.893   15.217   4.9571   14.132   7.7423   15.971   6.4533   73.888   21.271   79.094   17.878 -5.206047 27.78617 
1 1 1   10    1   52 o   41.290   12.317   0.7496   4.1326  -1.4995   6.2050   2.5427   5.5402   38.816   17.209   43.763   17.627 -4.946224 24.63425 
1 1 1   10    1   53 o   87.437   14.381   19.921   6.6239   33.806   9.3532   5.9496   9.3820  116.766   17.140   58.107   23.096 58.65940 28.76102 
1 1 1   10    1   54 o  104.535   20.445   31.351   10.327   31.695   14.479   30.994   14.735  105.271   28.659  103.798   29.166 1.472084 40.89036 
1 1 1   10    1   55 o   62.078   15.367   9.3150   5.5578   11.580   7.9593   7.1598   7.7641   66.898   21.997   57.259   21.465 9.638363 30.73471 
1 1 1   10    1   56 o   63.223   13.386   9.5962   4.9652   1.2684   7.1600   17.311   6.8914   45.297   19.283   81.149   18.573 -35.85249 26.77289 
1 1 1   10    1   57 o  118.225   17.343   43.756   8.4181   49.904   9.8663   27.303   16.140  141.938   14.873   94.511   31.336 47.42710 34.68689 
1 1 1   10    1   58 o  144.133   14.065   54.504   9.4477   49.601   13.189   59.672   13.540  136.890   20.615  151.375   19.140 -14.48546 28.13037 
1 1 1   10    1   59 o   69.344   23.327   13.339   8.9394   0.0000   0.0000   13.339   8.9394  ?   ?    69.344   23.327      ?      ? 
1 1 1   10    1   60 o   54.149   16.167   0.1933   6.6126   13.052   12.417  -4.8968   7.8126   69.720   26.904   38.578   17.936 31.14229 32.33411 
1 1 1   10    1   61 o   60.223   15.888   9.5589   5.9234   8.4810   7.7074   11.114   9.2580   57.245   21.401   63.201   23.489 -5.955559 31.77643 
1 1 1   10    1   62 o  150.075   11.857   59.644   8.2233   51.263   11.749   67.691   11.514  138.176   18.194  161.974   15.210 -23.79845 23.71416 
1 1 1   10    1   63 o   40.430   12.725  -0.6853   4.8826   2.2864   7.2070  -3.2064   6.6381   44.768   19.209   36.091   16.693 8.677296 25.44939 
1 1 1   10    1   64 o   48.237   14.404   4.4771   5.5461   3.9096   8.5133   4.8955   7.3102   48.324   20.809   48.151   19.921 0.1732368 28.80732 
1 1 1   10    1   65 o   69.374   15.384   15.783   5.5885   17.023   7.5979   14.321   8.2489   73.026   21.086   65.722   22.406 7.303551 30.76766 
1 1 1   10    1   66 f   54.562   16.354   8.2436   7.3229   1.7244   13.953   10.722   8.6029   51.163   23.848   57.961   22.386 -6.798409 32.70838 
1 1 1   10    1   67 o   77.247   29.541   29.797   14.880   0.0000   0.0000   29.797   14.880  ?   ?    77.247   29.541      ?      ? 
1 1 1   10    2    0 o  378.240   14.787  338.375   36.708  338.375   36.708  338.375   36.708  378.240   20.912  378.240   20.912 -0.000000 0.000000 
1 1 1   10    2    1 o  332.537   12.722  259.602   19.768  265.318   27.958  253.887   27.956  336.215   17.793  328.859   18.189 7.355652 25.44475 
1 1 1   10    2    2 o  279.596   11.949  183.593   15.445  184.712   20.433  182.102   23.591  280.675   15.577  278.518   18.124 2.156738 23.89795 
1 1 1   10    2    3 o  475.281   23.029  530.758   50.316  562.678   79.561  509.484   64.954  486.541   34.990  464.022   29.952 22.51901 46.05867 
1 1 1   10    2    4 o  340.777   17.111  270.411   26.828  291.237   42.431  256.540   34.628  351.385   25.838  330.168   22.442 21.21686 34.22284 
1 1 1   10    2    5 o  482.463   21.768  545.901   46.461  567.777   80.477  534.965   56.902  488.652   35.239  476.275   25.564 12.37750 43.53526 
1 1 1   10    2    6 o  449.353   18.619  474.079   38.781  494.740   59.245  458.589   51.298  457.641   27.700  441.064   24.886 16.57782 37.23743 
1 1 1   10    2    7 o  526.838   21.261  657.658   51.776  652.250   79.093  661.713   68.490  524.430   32.270  529.247   27.690 -4.816467 42.52210 
1 1 1   10    2    8 o  374.445   16.456  330.620   28.739  306.422   40.639  354.830   40.648  360.615   24.113  388.276   22.401 -27.66144 32.91248 
1 1 1   10    2    9 o  433.255   19.218  443.332   38.911  448.471   55.032  438.194   55.025  435.793   27.020  430.718   27.335 5.074677 38.43588 
1 1 1   10    2   10 o  207.954   13.386   96.275   11.513   90.713   13.282  113.080   23.088  196.731   14.446  219.178   22.540 -22.44640 26.77184 
1 1 1   10    2   11 o  165.557   11.994   62.427   8.1361   60.493   9.3887   68.260   16.304  160.715   12.500  170.400   20.473 -9.684235 23.98735 
1 1 1   10    2   12 o  255.938   13.293  152.354   15.642  145.967   20.191  161.942   24.738  249.391   17.323  262.484   20.166 -13.09209 26.58510 
1 1 1   10    2   13 o  461.462   25.071  507.023   54.040  488.261   76.408  525.800   76.440  452.760   36.110  470.163   34.788 -17.40298 50.14118 
1 1 1   10    2   14 f  184.176   10.496   77.680   8.9175   91.814   14.052   68.148   11.539  197.860   15.196  170.492   14.482 27.36877 20.99134 
1 1 1   10    2   15 o  413.702   20.940  404.556   39.739  414.582   62.809  397.864   51.316  417.380   32.199  410.024   26.779 7.356140 41.88013 
1 1 1   10    2   16 o  337.851   20.967  256.782   29.391  303.628   58.641  241.065   33.966  356.137   35.232  319.565   22.743 36.57260 41.93482 
1 1 1   10    2   17 o  553.866   27.177  732.511   69.159  771.838  109.350  706.292   89.285  564.832   41.424  542.900   35.190 21.93121 54.35333 
1 1 1   10    2   18 o  195.007   11.379   91.070   10.073   81.114   15.759   97.948   13.099  185.678   18.160  204.336   13.717 -18.65784 22.75854 
1 1 1   10    2   19 o  289.900   20.329  209.939   23.183  180.611   46.230  219.792   26.795  274.250   36.069  305.549   18.764 -31.29935 40.65841 
1 1 1   10    2   20 o   69.419   22.288   11.107   8.1978   0.0000   0.0000   11.107   8.1978  ?   ?    69.419   22.288      ?      ? 
1 1 1   10    2   21 o  189.992   24.925   85.568   22.131   85.568   22.131   0.0000   0.0000  189.992   24.925  ?   ?       ?      ? 
1 1 1   10    2   22 o  549.259   63.372  771.166  162.674  771.166  162.674   0.0000   0.0000  549.259   63.372  ?   ?       ?      ? 
1 1 1   10    2   23 f  454.022   36.377  515.079   76.459  438.204  108.067  592.133  108.192  417.767   55.350  490.277   47.219 -72.51080 72.75451 
1 1 1   10    2   24 o  657.583   57.676  1191.22  176.834  1271.17  250.063  1111.25  250.098  683.609   78.271  631.558   84.733 52.05157 115.3519 
1 1 1   10    2   25 o  564.222   44.006  869.868  104.028  958.631  127.427  692.505  180.127  623.943   43.699  504.501   76.397 119.4423 88.01176 
1 1 1   10    2   26 o  373.707   23.691  316.647   39.762  269.383   48.686  411.310   68.903  335.087   31.089  412.327   35.756 -77.24017 47.38186 
1 1 1   10    2   27 o  321.264   22.812  254.829   31.802  232.089   55.031  266.232   38.968  308.216   38.204  334.312   24.941 -26.09521 45.62459 
1 1 1   10    2   28 o  349.548   18.960  294.762   30.806  329.371   43.606  260.278   43.528  370.686   25.171  328.409   28.360 42.27646 37.91913 
1 1 1   10    2   29 o  442.248   24.726  483.554   51.021  514.444   72.200  452.743   72.109  457.158   33.793  427.338   36.105 29.82062 49.45287 
1 1 1   10    2   30 o  235.884   13.776  132.419   15.186  133.435   21.570  131.421   21.385  236.778   19.492  234.989   19.472 1.789230 27.55203 
1 1 1   10    2   31 o  292.820   15.524  202.569   20.915  191.064   26.984  219.881   33.101  283.011   20.402  302.629   23.404 -19.61804 31.04794 
1 1 1   10    2   32 o  408.567   20.530  397.872   38.664  351.843   49.896  467.052   61.170  380.241   28.078  436.894   29.959 -56.65234 41.05947 
1 1 1   10    2   33 o  261.004   14.723  168.102   17.228  185.755   22.258  141.724   27.209  279.660   17.030  242.348   24.023 37.31171 29.44688 
1 1 1   10    2   34 o   84.810   11.470   17.192   4.3146   15.229   5.5411   20.217   6.8763   78.794   15.599   90.826   16.819 -12.03125 22.93952 
1 1 1   10    2   35 o  206.232   13.278  102.552   12.686   87.894   18.025  116.941   17.859  191.139   20.178  221.325   17.265 -30.18600 26.55668 
1 1 1   10    2   36 o  204.504   12.217  102.270   11.272  110.538   14.565   89.925   17.798  215.744   14.446  193.263   19.705 22.48140 24.43322 
1 1 1   10    2   37 o  203.068   12.886   98.931   12.197  108.333   17.432   89.913   17.072  212.717   17.535  193.419   18.886 19.29745 25.77118 
1 1 1   10    2   38 o   87.328   18.542   19.001   7.3337   19.001   7.3337   0.0000   0.0000   87.328   18.542  ?   ?       ?      ? 
1 1 1   10    2   39 o  157.973   16.165   59.723   11.935   59.723   11.935   0.0000   0.0000  157.973   16.165  ?   ?       ?      ? 
1 1 1   10    2   40 o   57.958   13.707   7.8780   4.6375   10.949   5.6333   1.4203   8.1690   66.254   17.809   49.662   20.841 16.59194 27.41426 
1 1 1   10    2   41 o   36.611   10.669  -0.7902   3.1808  -4.3867   4.2008   4.0427   4.8696   27.308   12.843   45.914   17.041 -18.60536 21.33895 
1 1 1   10    2   42 o  146.314   10.436   50.977   7.0590   48.773   9.2437   54.061   10.933  142.779   13.853  149.849   15.612 -7.070068 20.87199 
1 1 1   10    2   43 o   97.148   11.838   24.458   4.9945   30.199   6.6297   16.925   7.5949  112.642   12.594   81.654   20.049 30.98820 23.67644 
1 1 1   10    2   44 o  139.807   16.149   52.921   9.3396   60.700   11.635   38.825   15.662  158.735   15.683  120.879   28.234 37.85645 32.29744 
1 1 1   10    2   45 o  127.684   11.830   39.553   6.9899   47.277   10.169   32.634   9.6241  139.814   15.562  115.554   17.821 24.25942 23.65945 
1 1 1   10    2   46 o  187.508   12.001   88.410   10.121   99.838   13.276   72.553   15.639  203.710   13.945  171.306   19.535 32.40392 24.00147 
1 1 1   10    2   47 o   66.845   13.371   11.300   4.3697   10.512   6.1492   12.103   6.2107   64.668   19.055   69.023   18.761 -4.355270 26.74111 
1 1 1   10    2   48 o   57.967   13.885   7.2618   4.4417   10.870   7.1690   5.0140   5.6587   66.093   20.802   49.841   18.396 16.25152 27.76923 
1 1 1   10    2   49 o   59.193   13.189   8.5258   4.2294   11.279   5.7440   5.2658   6.2507   66.743   18.002   51.644   19.280 15.09818 26.37734 
1 1 1   10    2   50 o  121.003   12.038   34.659   6.4726   25.917   8.2675   48.500   10.403  101.066   18.172  140.940   15.794 -39.87389 24.07618 
1 1 1   10    2   51 o  107.414   13.170   28.866   6.4684   29.747   9.4593   28.092   8.8651  108.027   19.452  106.801   17.761 1.226463 26.34043 
1 1 1   10    2   52 o  162.116   11.408   62.100   8.4752   77.564   13.721   52.561   10.777  177.652   16.527  146.580   15.731 31.07188 22.81673 
1 1 1   10    2   53 o   81.042   16.944   14.615   7.2801   5.9449   9.1260   29.789   12.073   57.636   22.820  104.449   25.054 -46.81337 33.88887 
1 1 1   10    2   54 o   62.311   16.796   8.5034   6.4423   9.5693   7.5387   5.6172   12.405   62.300   21.416   62.323   25.881 -0.2301025E-01 33.59244 
1 1 1   10    2   55 o   79.968   15.186   16.553   5.9803   24.024   9.0242   10.703   7.9857   95.020   20.890   64.916   22.046 30.10385 30.37183 
1 1 1   10    2   56 o  166.729   12.929   72.844   9.5608   80.577   12.264   60.862   15.265  180.844   14.511  152.614   21.403 28.22995 25.85799 
1 1 1   10    2   57 o   54.990   15.009   5.9610   5.4356   4.2544   7.1594   8.2835   8.3517   50.219   20.105   59.760   22.290 -9.541355 30.01746 
1 1 1   10    2   58 o   50.714   14.567   4.2717   5.3650   4.2848   7.1064   4.2545   8.1811   49.716   19.985   51.711   21.200 -1.995548 29.13466 
1 1 1   10    2   59 o   58.001   13.751   7.5378   5.3446  -3.1979   8.3476   14.996   6.9575   41.939   19.147   74.064   19.742 -32.12510 27.50180 
1 1 1   10    2   60 o  182.140   14.228   92.039   11.409   72.162   17.833  105.813   14.846  160.172   23.823  204.108   15.563 -43.93623 28.45581 
1 1 1   10    2   61 o   62.635   14.475   8.3882   5.5106   20.228   8.7320   0.5521   7.1039   82.750   22.143   42.520   18.648 40.23016 28.94967 
1 1 1   10    2   62 o   96.767   13.577   26.144   6.0008   35.950   8.6334   16.978   8.3467  117.736   15.690   75.798   22.162 41.93771 27.15406 
1 1 1   10    2   63 o   65.317   14.489   10.338   5.4497   22.124   8.7424   2.8486   6.9695   85.590   21.797   45.043   19.095 40.54617 28.97787 
1 1 1   10    2   64 o   99.406   15.285   31.441   6.8278   25.938   11.232   34.667   8.5988   86.086   25.847  112.727   16.322 -26.64001 30.56902 
1 1 1   10    2   65 o   48.118   13.152   3.4521   5.4456 -12.4090   9.1727   12.085   6.7672   34.141   16.755   62.094   20.276 -27.95380 26.30334 
1 1 1   10    2   66 o   49.790   15.526   4.2736   6.2504   8.0865   12.445   2.9873   7.2282   55.513   24.502   44.066   19.074 11.44765 31.05148 
1 1 1   10    2   67 o   63.550   18.286   17.165   9.2501   8.1143   14.526   23.339   11.997   53.960   24.865   73.140   26.818 -19.17959 36.57162 
1 1 1   10    3    0 o  101.756   6.3497   24.769   4.1939   24.769   4.1939   24.769   4.1939  101.756   8.9798  101.756   8.9798 -0.000000 0.000000 
1 1 1   10    3    1 o  295.867   12.422  207.068   16.922  195.086   25.842  216.063   22.390  288.191   19.187  303.544   15.783 -15.35318 24.84420 
1 1 1   10    3    2 o  264.466   10.767  164.081   13.294  172.622   18.804  155.547   18.797  271.373   14.827  257.559   15.616 13.81448 21.53362 
1 1 1   10    3    3 o  895.922   35.501  1948.65  146.794  1984.27  194.191  1901.16  224.231  908.122   45.755  883.722   54.292 24.40009 71.00135 
1 1 1   10    3    4 o  397.327   17.285  372.589   32.023  343.521   45.284  401.665   45.290  381.671   25.387  412.983   23.465 -31.31198 34.57069 
1 1 1   10    3    5 f  480.123   20.823  545.586   46.688  521.495   66.018  569.692   66.037  469.384   30.095  490.862   28.786 -21.47781 41.64548 
1 1 1   10    3    6 o  716.954   34.188  1249.05  107.422  1218.06  186.059  1264.55  131.565  706.049   56.386  727.859   38.677 -21.81024 68.37621 
1 1 1   10    3    7 o  700.480   26.415  1169.70   86.467  1153.23  122.283  1186.17  122.283  695.449   37.623  705.511   37.087 -10.06165 52.82931 
1 1 1   10    3    8 o  654.440   27.019  1020.81   81.821  1013.84  108.243  1030.10  124.977  652.769   35.481  656.111   40.758 -3.341736 54.03811 
1 1 1   10    3    9 o  661.416   33.088  1095.80   93.962  1173.54  115.084  940.362  162.735  702.448   35.056  620.383   56.128 82.06500 66.17580 
1 1 1   10    3   10 o  698.267   32.756  1155.66  105.359  1069.26  136.011  1285.30  166.600  667.355   43.609  729.179   48.888 -61.82343 65.51118 
1 1 1   10    3   11 o  193.639   12.638   88.261   11.396   96.590   16.076   79.850   16.156  202.891   16.954  184.388   18.748 18.50285 25.27697 
1 1 1   10    3   12 o  339.789   17.515  273.152   27.207  267.646   42.977  276.834   35.146  336.593   27.320  342.984   21.926 -6.391327 35.03081 
1 1 1   10    3   13 o  399.723   22.767  364.302   37.464  411.696   74.957  348.520   43.255  414.971   38.650  384.475   24.073 30.49619 45.53371 
1 1 1   10    3   14 o  665.753   31.042  1088.35   93.529  985.314  147.844  1157.09  120.767  636.004   49.739  695.502   37.154 -59.49780 62.08412 
1 1 1   10    3   15 o  733.581   36.121  1338.13  120.122  1233.92  189.891  1407.66  155.097  704.672   57.660  762.491   43.524 -57.81927 72.24250 
1 1 1   10    3   16 o  211.934   10.499  105.429   10.399  104.543   14.697  106.317   14.715  211.039   14.901  212.829   14.794 -1.789474 20.99783 
1 1 1   10    3   17 o  366.211   18.744  324.400   31.044  288.889   48.993  348.221   40.127  348.368   30.092  384.054   22.356 -35.68610 37.48774 
1 1 1   10    3   18 o  246.523   13.547  147.717   15.000  123.169   23.548  164.479   19.458  228.423   22.058  264.622   15.734 -36.19823 27.09441 
1 1 1   10    3   19 o  185.410   13.855   78.644   11.478   88.947   19.815   73.442   14.081  194.096   21.845  176.724   17.049 17.37212 27.70994 
1 1 1   10    3   20 o  336.628   23.769  275.431   34.958  283.004   42.854  260.368   60.440  345.234   26.560  328.021   39.426 17.21362 47.53771 
1 1 1   10    3   21 o  167.679   16.679   66.128   13.071   66.128   13.071   0.0000   0.0000  167.679   16.679  ?   ?       ?      ? 
1 1 1   10    3   22 o  193.037   17.993   88.386   16.229   87.475   22.676   89.343   23.236  192.037   25.266  194.036   25.623 -1.999191 35.98513 
1 1 1   10    3   23 o  147.699   16.844   52.276   11.309   45.189   15.559   60.213   16.465  135.851   25.441  159.548   22.081 -23.69655 33.68718 
1 1 1   10    3   24 o  313.399   21.542  233.554   29.830  241.094   51.649  229.780   36.541  315.918   34.982  310.879   25.151 5.039246 43.08452 
1 1 1   10    3   25 o  143.385   13.271   45.986   8.5237   57.493   14.834   40.314   10.415  155.953   20.353  130.816   17.035 25.13719 26.54106 
1 1 1   10    3   26 o  118.955   14.530   34.860   7.0477   35.927   8.3613   32.242   13.098  123.629   14.471  114.281   25.201 9.348114 29.06048 
1 1 1   10    3   27 o  230.983   17.637  127.935   17.882  129.141   21.900  125.523   30.976  233.475   20.070  228.490   29.007 4.984818 35.27397 
1 1 1   10    3   28 o  288.646   26.621  218.819   31.596  323.056   44.972  117.215   44.401  366.370   26.265  210.923   46.311 155.4477 53.24101 
1 1 1   10    3   29 o  267.608   18.369  173.306   21.581  174.534   26.434  170.852   37.372  270.500   20.910  264.717   30.208 5.782440 36.73887 
1 1 1   10    3   30 o  143.823   10.173   48.191   6.7146   45.658   8.6161   52.109   10.715  139.183   13.246  148.463   15.443 -9.279709 20.34585 
1 1 1   10    3   31 o  137.612   10.060   43.668   6.3588   39.469   8.1328   50.274   10.199  129.371   13.451  145.852   14.963 -16.48062 20.12029 
1 1 1   10    3   32 o  328.918   17.817  270.278   26.176  301.289   33.807  223.859   41.361  355.160   20.367  302.677   29.239 52.48224 35.63393 
1 1 1   10    3   33 o  194.191   11.729   90.975   10.320   96.258   13.312   83.017   16.337  201.793   14.115  186.589   18.735 15.20485 23.45710 
1 1 1   10    3   34 o  211.136   12.169  106.109   11.766  105.764   15.193  106.626   18.599  211.109   15.399  211.163   18.847 -0.5349731E-01 24.33747 
1 1 1   10    3   35 o  182.497   11.267   78.690   9.4532   76.019   12.222   82.668   14.914  178.942   14.615  186.052   17.152 -7.110687 22.53388 
1 1 1   10    3   36 o  188.985   12.201   85.385   10.758   92.013   15.377   79.030   15.057  196.289   16.762  181.682   17.733 14.60687 24.40131 
1 1 1   10    3   37 o  159.033   11.628   60.401   8.6309   64.505   12.303   56.424   12.111  164.442   16.009  153.624   16.869 10.81836 23.25591 
1 1 1   10    3   38 o  267.436   22.149  174.358   27.684  174.358   27.684   0.0000   0.0000  267.436   22.149  ?   ?       ?      ? 
1 1 1   10    3   39 o  234.961   20.288  133.996   22.278  133.996   22.278   0.0000   0.0000  234.961   20.288  ?   ?       ?      ? 
1 1 1   10    3   40 o   72.939   15.090   12.885   5.2654   14.840   9.0121   11.872   6.4880   76.952   23.163   68.927   19.349 8.025108 30.18087 
1 1 1   10    3   41 o   44.443   11.362   1.4362   3.4107  -3.0304   4.3570   8.5048   5.4810   29.856   13.706   59.029   18.126 -29.17257 22.72451 
1 1 1   10    3   42 o  124.777   12.747   40.202   6.6528   21.831   9.3507   59.034   9.4673   92.215   22.004  157.339   12.875 -65.12453 25.49367 
1 1 1   10    3   43 o  125.036   10.162   36.051   5.8230   28.529   7.4969   47.490   9.2454  109.125   14.700  140.947   14.035 -31.82206 20.32437 
1 1 1   10    3   44 o  254.304   16.018  161.311   19.012  152.219   26.871  170.425   26.903  246.655   23.311  261.953   21.975 -15.29803 32.03578 
1 1 1   10    3   45 o  201.168   13.583   99.887   12.721  110.030   18.056   89.891   17.925  211.839   18.238  190.498   20.134 21.34148 27.16616 
1 1 1   10    3   46 o   56.946   13.564   7.6210   4.2858   6.8085   6.1101   8.4080   6.0133   54.976   19.259   58.916   19.107 -3.939949 27.12876 
1 1 1   10    3   47 o  144.260   10.658   50.267   7.0486   50.275   9.1341   50.254   11.083  144.739   13.503  143.781   16.493 0.9577332 21.31549 
1 1 1   10    3   48 o   43.903   11.585   1.3657   3.9466   7.7386   5.1674  -7.5555   6.1139   56.317   17.651   31.490   15.009 24.82701 23.16910 
1 1 1   10    3   49 o  163.293   11.496   64.865   8.6100   65.126   11.182   64.485   13.494  164.320   14.561  162.265   17.794 2.055054 22.99245 
1 1 1   10    3   50 o   58.352   11.979   7.1825   4.1491   15.354   5.9700  -0.4524   5.7705   77.703   16.919   39.001   16.962 38.70183 23.95785 
1 1 1   10    3   51 o  105.323   11.070   27.057   5.4320   24.715   7.6864   29.393   7.6776  100.568   16.354  110.077   14.924 -9.508911 22.13983 
1 1 1   10    3   52 o  180.138   12.334   81.533   10.066   74.315   15.859   86.403   13.027  171.949   19.735  188.327   14.801 -16.37753 24.66857 
1 1 1   10    3   53 o  119.838   21.381   39.819   11.798   32.956   15.053   50.746   18.994  107.378   29.218  132.297   31.223 -24.91898 42.76183 
1 1 1   10    3   54 o   84.438   18.926   20.178   8.8225   25.570   11.304   11.774   14.111   96.311   24.923   72.565   28.489 23.74596 37.85175 
1 1 1   10    3   55 f   62.337   17.803   7.6332   7.0456   9.1031   7.7536   0.6690   16.877   61.191   21.671   63.483   28.251 -2.291973 35.60542 
1 1 1   10    3   56 o   57.753   17.187   0.0367   6.1826  -3.1252   6.7814   15.608   15.049   38.061   17.331   77.445   29.686 -39.38343 34.37476 
1 1 1   10    3   57 o   45.326   12.916   2.6030   4.4011   5.6290   5.9319  -1.1024   6.5641   50.707   18.811   39.945   17.705 10.76225 25.83211 
1 1 1   10    3   58 o   67.493   15.320   12.488   5.5318   10.497   8.1007   14.227   7.5724   63.217   22.173   71.769   21.145 -8.551609 30.63908 
1 1 1   10    3   59 o   60.894   14.523   9.7690   4.8873   10.286   6.4188   9.0554   7.5388   62.075   19.700   59.714   21.346 2.361439 29.04696 
1 1 1   10    3   60 o  103.702   13.574   29.227   6.3570   24.200   9.1978   33.825   8.7958   92.641   21.636  114.762   16.400 -22.12124 27.14888 
1 1 1   10    3   61 o   64.114   15.004   11.861   5.2808   10.146   7.8551   13.276   7.1333   60.441   21.769   67.786   20.653 -7.345066 30.00755 
1 1 1   10    3   62 o   34.170   11.305  -4.6199   4.5047  -3.4874   6.4695  -5.6857   6.2761   35.654   16.487   32.687   15.471 2.967323 22.60963 
1 1 1   10    3   63 o   45.141   13.172   3.1471   4.6718  -0.2929   6.7064   6.3904   6.5119   39.649   17.714   50.634   19.499 -10.98536 26.34349 
1 1 1   10    3   64 o   43.513   12.614   1.1386   4.7470  -7.1059   6.8893   8.5909   6.5499   32.402   15.574   54.623   19.848 -22.22063 25.22855 
1 1 1   10    3   65 o   46.040   13.708   3.9199   5.0541   1.6350   6.8531   6.6446   7.4836   41.598   18.278   50.482   20.433 -8.884167 27.41520 
1 1 1   10    3   66 o   59.389   15.485   11.515   5.6741   12.207   8.0782   10.842   7.9717   60.734   22.046   58.045   21.752 2.688789 30.97061 
1 1 1   10    3   67 o   54.589   17.265   9.6838   9.0483   8.6230   13.214   10.620   12.416   53.711   24.354   55.467   24.478 -1.755901 34.52984 
1 1 1   10    4    0 o  572.960   25.833  783.618   96.916  783.618   96.916  783.618   96.916  572.960   36.534  572.960   36.534 -0.000000 0.000000 
1 1 1   10    4    1 o  328.464   12.671  253.355   19.441  244.090   27.500  262.612   27.489  322.431   18.250  334.497   17.584 -12.06662 25.34260 
1 1 1   10    4    2 o  324.321   12.072  247.469   18.222  273.499   25.783  221.490   25.758  341.476   16.156  307.165   17.943 34.31168 24.14459 
1 1 1   10    4    3 o  630.510   25.999  948.245   75.755  955.750  100.213  938.239  115.720  634.354   33.803  626.666   39.512 7.688293 51.99819 
1 1 1   10    4    4 o  954.815   39.570  2227.93  174.606  2237.96  230.980  2214.56  266.717  960.504   51.456  949.125   60.129 11.37939 79.14034 
1 1 1   10    4    5 o  437.188   26.649  448.878   47.388  441.836   54.713  470.025   94.807  432.554   27.065  441.821   45.915 -9.266541 53.29805 
1 1 1   10    4    6 o  207.964   11.154  101.117   10.627  102.975   16.849   99.890   13.695  209.474   17.210  206.454   14.193 3.020599 22.30812 
1 1 1   10    4    7 o  466.387   18.675  516.544   40.143  534.254   53.112  492.949   61.305  476.195   23.865  456.578   28.730 19.61639 37.34949 
1 1 1   10    4    8 o  607.395   27.674  879.637   77.007  873.372   99.424  889.029  121.743  605.982   35.107  608.809   42.788 -2.826965 55.34702 
1 1 1   10    4    9 o  269.471   15.287  170.847   19.248  166.572   27.210  175.128   27.231  266.074   21.882  272.867   21.353 -6.792816 30.57407 
1 1 1   10    4   10 o  557.909   27.813  745.419   70.934  734.613  112.123  752.630   91.594  553.213   43.367  562.606   34.835 -9.392944 55.62547 
1 1 1   10    4   11 o  390.351   19.441  354.543   34.959  391.780   55.247  329.675   45.148  406.933   29.050  373.769   25.846 33.16403 38.88293 
1 1 1   10    4   12 o  802.249   38.287  1543.79  141.548  1745.34  223.833  1409.48  182.723  843.327   56.792  761.172   51.365 82.15515 76.57466 
1 1 1   10    4   13 o  729.583   36.124  1293.51  120.868  1331.46  191.124  1268.22  156.031  735.575   55.596  723.590   46.140 11.98492 72.24845 
1 1 1   10    4   14 o  617.541   24.972  912.386   72.051  887.426  101.890  937.352  101.901  608.892   35.805  626.189   34.820 -17.29730 49.94465 
1 1 1   10    4   15 o  399.591   19.557  376.197   35.891  393.228   56.763  364.854   46.327  406.565   29.874  392.618   25.247 13.94666 39.11391 
1 1 1   10    4   16 o  489.537   24.858  579.019   55.438  551.258   87.588  597.573   71.606  478.188   39.193  500.886   30.589 -22.69781 49.71691 
1 1 1   10    4   17 o  353.231   17.583  296.538   28.388  289.272   44.795  301.414   36.697  349.107   27.455  357.354   21.973 -8.247650 35.16560 
1 1 1   10    4   18 o  303.626   17.551  218.503   24.867  231.928   35.132  205.023   35.203  313.111   24.008  294.142   25.608 18.96820 35.10252 
1 1 1   10    4   19 f  408.979   22.965  400.749   43.798  370.785   61.959  430.676   61.920  393.309   33.707  424.650   31.200 -31.34027 45.93063 
1 1 1   10    4   20 f  451.820   30.315  493.040   60.484  483.970   74.070  511.194  104.784  448.617   35.328  455.023   49.274 -6.405853 60.63014 
1 1 1   10    4   21 o   91.492   14.586   22.416   5.1544   24.191   5.7549   15.216   11.590  101.572   12.123   81.411   26.533 20.16061 29.17137 
1 1 1   10    4   22 o  398.246   31.529  392.218   57.629  310.292   81.367  474.682   81.633  354.114   49.166  442.377   39.485 -88.26364 63.05798 
1 1 1   10    4   23 o  387.899   28.503  368.583   51.147  308.942   71.991  429.370   72.679  354.763   43.421  421.035   36.936 -66.27295 57.00543 
1 1 1   10    4   24 o  464.781   23.439  520.432   50.906  509.628   71.922  531.280   72.063  459.811   33.469  469.751   32.825 -9.939636 46.87867 
1 1 1   10    4   25 o  335.426   20.076  271.467   30.981  324.259   43.724  218.240   43.903  369.256   25.336  301.596   31.148 67.66052 40.15132 
1 1 1   10    4   26 o  622.716   36.863  981.869  107.156  1032.06  151.501  931.626  151.581  639.985   50.653  605.448   53.571 34.53729 73.72581 
1 1 1   10    4   27 o  246.916   18.010  143.348   19.761  155.038   34.181  137.479   24.218  253.463   28.855  240.369   21.559 13.09389 36.01959 
1 1 1   10    4   28 o  293.960   24.817  213.447   34.092  214.624   48.094  212.258   48.335  294.862   34.900  293.057   35.291 1.805573 49.63362 
1 1 1   10    4   29 o  245.478   21.353  147.176   24.459  138.377   34.636  155.929   34.545  237.814   31.164  253.142   29.200 -15.32773 42.70614 
1 1 1   10    4   30 o  181.442   14.556   75.981   11.852   69.929   14.593   87.712   20.316  171.583   18.198  191.301   22.724 -19.71770 29.11290 
1 1 1   10    4   31 o  429.161   35.295  547.204   52.844  606.376   61.037  370.096  105.598  500.670   26.085  357.651   65.593 143.0191 70.58977 
1 1 1   10    4   32 o  114.527   14.980   35.549   6.3801   38.492   7.2779   25.778   13.260  127.823   12.183  101.232   27.371 26.59023 29.95994 
1 1 1   10    4   33 o  142.962   11.694   48.962   7.6352   62.113   10.973   36.618   10.631  162.005   14.493  123.918   18.357 38.08717 23.38814 
1 1 1   10    4   34 o  130.285   10.016   40.076   5.9659   39.545   7.6567   40.896   9.5177  129.371   12.664  131.199   15.522 -1.828018 20.03297 
1 1 1   10    4   35 o  193.468   11.669   89.990   10.284   92.637   13.269   86.009   16.275  197.539   14.373  189.398   18.386 8.140625 23.33783 
1 1 1   10    4   36 o  273.462   15.921  181.786   20.337  188.372   28.769  175.208   28.753  278.609   22.095  268.315   22.929 10.29388 31.84253 
1 1 1   10    4   37 o  320.246   23.736  273.701   32.262  296.656   39.557  228.094   55.757  347.776   24.337  292.715   40.758 55.06070 47.47111 
1 1 1   10    4   38 o  152.504   12.885   55.162   9.1837   55.162   9.1837   0.0000   0.0000  152.504   12.885  ?   ?       ?      ? 
1 1 1   10    4   39 o  179.622   17.412   77.606   14.617   77.606   14.617   0.0000   0.0000  179.622   17.412  ?   ?       ?      ? 
1 1 1   10    4   40 o   72.780   12.836   13.084   4.4593   8.7988   6.0919   18.030   6.5452   60.456   19.193   85.103   17.051 -24.64693 25.67250 
1 1 1   10    4   41 o  175.995   10.728   73.440   8.6994   68.960   11.256   80.086   13.709  169.717   14.191  182.273   16.093 -12.55629 21.45656 
1 1 1   10    4   42 o  187.175   12.125   88.378   10.066  100.799   13.019   69.921   15.871  205.431   13.561  168.919   20.104 36.51169 24.25013 
1 1 1   10    4   43 o   99.779   11.016   23.448   4.9312   18.437   6.3894   30.828   7.7548   86.129   16.474  113.428   14.629 -27.29948 22.03136 
1 1 1   10    4   44 f  118.909   12.213   37.563   6.0582   47.647   7.9791   23.838   9.3091  141.402   12.074   96.415   21.233 44.98669 24.42636 
1 1 1   10    4   45 o   49.085   13.283   3.8626   4.2714   6.6673   6.5979   1.8390   5.6043   55.409   19.952   42.761   17.540 12.64727 26.56556 
1 1 1   10    4   46 o   75.622   13.505   14.481   4.7924   17.171   7.0357   12.152   6.5457   82.098   18.749   69.146   19.443 12.95187 27.01022 
1 1 1   10    4   47 o  122.000   12.509   37.694   6.7103   27.712   9.6344   47.098   9.3514  104.144   20.524  139.856   14.307 -35.71246 25.01895 
1 1 1   10    4   48 o  140.486   12.273   48.278   8.0294   45.647   11.623   50.679   11.105  136.515   18.219  144.457   16.449 -7.942612 24.54527 
1 1 1   10    4   49 o  125.623   11.294   38.920   6.4906   41.659   8.5642   35.224   9.9488  131.480   13.937  119.767   17.774 11.71351 22.58717 
1 1 1   10    4   50 o  104.391   13.499   28.134   6.3103   19.987   8.9775   36.090   8.8718   87.142   22.031  121.640   15.606 -34.49774 26.99865 
1 1 1   10    4   51 o  188.231   13.243   88.220   11.547  101.126   16.355   75.391   16.305  202.841   17.253  173.622   20.095 29.21948 26.48500 
1 1 1   10    4   52 o  202.939   16.402  100.025   14.744  128.569   26.370   87.044   17.783  220.545   25.584  185.333   20.531 35.21170 32.80376 
1 1 1   10    4   53 o  157.674   18.430   65.468   12.112   62.888   14.458   71.544   22.183  157.629   19.626  157.720   31.200 -0.9118652E-01 36.85927 
1 1 1   10    4   54 o  119.501   25.215   39.205   13.639   39.205   13.639   0.0000   0.0000  119.501   25.215  ?   ?       ?      ? 
1 1 1   10    4   55 o   97.303   16.105   25.805   7.1926   24.887   10.393   26.649   9.9644   95.188   23.502   99.417   22.026 -4.229195 32.21019 
1 1 1   10    4   56 o  122.929   11.979   37.918   6.8007   30.904   9.3728   45.716   9.8826  110.279   18.186  135.579   15.597 -25.29998 23.95802 
1 1 1   10    4   57 o  124.538   11.313   38.400   6.5212   31.857   8.7510   46.572   9.7794  112.396   16.660  136.680   15.310 -24.28410 22.62566 
1 1 1   10    4   58 o   66.297   14.968   12.040   5.2212   11.171   8.0856   12.661   6.8380   64.528   22.179   68.066   20.105 -3.538002 29.93539 
1 1 1   10    4   59 o   40.811   12.562  -0.2503   4.4155  -1.9480   5.6888   2.3222   7.0029   35.677   16.096   45.945   19.290 -10.26825 25.12326 
1 1 1   10    4   60 f   59.812   15.722   9.0223   5.8542   10.870   8.7345   7.5152   7.8882   63.409   22.938   56.215   21.506 7.193874 31.44320 
1 1 1   10    4   61 o   70.756   14.585   14.101   5.8039   23.127   8.2354   5.1953   8.1806   90.053   20.080   51.459   21.160 38.59346 29.17051 
1 1 1   10    4   62 o   69.341   15.524   14.124   5.6508   14.916   7.6034   13.147   8.4456   71.623   21.212   67.060   22.673 4.563026 31.04837 
1 1 1   10    4   63 o   67.670   16.531   12.661   6.4562   23.284   10.734   6.6386   8.0815   82.935   25.348   52.405   21.226 30.53044 33.06160 
1 1 1   10    4   64 f   86.625   14.187   23.106   5.5974   24.944   7.2793   20.447   8.7552   93.862   17.229   79.389   22.544 14.47312 28.37374 
1 1 1   10    4   65 o   30.007   10.164  -7.7393   4.2901  -1.5487   5.8211 -15.0991   6.3471   34.793   15.924   25.221   12.634 9.571827 20.32748 
1 1 1   10    4   66 o   47.074   13.794   5.1738   4.9990   6.6702   7.0758   3.6826   7.0635   49.606   19.942   44.543   19.062 5.062660 27.58712 
1 1 1   10    4   67 o   45.505   15.253  -0.7111   8.6485   0.8864   12.790  -2.0569   11.739   47.108   22.233   43.902   20.890 3.205551 30.50691 
1 1 1   10    5    0 o  578.619   22.144  794.674   84.118  794.674   84.118  794.674   84.118  578.619   31.316  578.619   31.316 -0.000000 0.000000 
1 1 1   10    5    1 o  217.952   9.2393  111.277   9.4111  110.801   13.304  111.754   13.315  217.484   13.089  218.419   13.044 -0.9352875 18.47864 
1 1 1   10    5    2 o  129.304   7.2029   38.890   4.3226   37.230   5.7342   41.074   6.5785  126.137   9.7272  132.471   10.626 -6.333893 14.40581 
1 1 1   10    5    3 o  341.513   14.220  276.417   22.352  289.048   29.578  259.598   34.131  350.880   18.037  332.147   21.987 18.73312 28.43904 
1 1 1   10    5    4 o  350.808   23.325  307.410   29.686  317.406   33.202  267.567   66.285  367.562   19.328  334.054   42.458 33.50748 46.65010 
1 1 1   10    5    5 o  460.225   23.021  503.610   48.447  507.939   62.553  497.121   76.587  463.443   28.881  457.009   35.858 6.434082 46.04252 
1 1 1   10    5    6 o  273.723   14.283  177.582   17.818  169.135   28.167  183.217   23.006  268.060   22.484  279.387   17.619 -11.32755 28.56515 
1 1 1   10    5    7 o   99.922   10.656   24.394   3.7472   22.872   8.5136   24.760   4.1732   96.963   19.464  102.880   8.6794 -5.917343 21.31116 
1 1 1   10    5    8 o  597.093   29.480  863.587   80.023  808.912  126.515  900.049  103.317  579.285   46.731  614.901   35.952 -35.61578 58.96052 
1 1 1   10    5    9 o  855.310   42.285  1782.82  166.195  1889.62  262.780  1711.62  214.556  873.051   64.404  837.570   54.812 35.48090 84.57065 
1 1 1   10    5   10 o  321.703   16.613  248.905   24.160  221.685   38.200  267.052   31.190  306.352   26.681  337.054   19.800 -30.70181 33.22530 
1 1 1   10    5   11 o  868.772   42.999  1856.10  171.488  1940.76  271.155  1799.67  221.385  880.916   65.863  856.628   55.298 24.28741 85.99895 
1 1 1   10    5   12 o  762.700   33.750  1371.43  118.449  1718.59  187.336  1140.20  152.888  840.690   47.681  684.709   47.778 155.9812 67.49925 
1 1 1   10    5   13 o  616.705   29.207  904.461   82.943  998.057  131.181  842.123  107.058  641.676   43.743  591.734   38.712 49.94244 58.41354 
1 1 1   10    5   14 o  252.894   12.848  150.561   14.874  149.923   23.503  150.987   19.211  252.275   19.934  253.514   16.215 -1.238953 25.69636 
1 1 1   10    5   15 o  163.666   14.828   70.063   9.0271   53.081   17.863   75.887   10.461  147.410   26.920  179.922   12.441 -32.51210 29.65614 
1 1 1   10    5   16 o  127.270   13.065   39.852   6.4462   36.450   12.753   41.019   7.4710  122.250   23.169  132.290   12.084 -10.04036 26.13075 
1 1 1   10    5   17 o  477.780   33.448  575.323   68.939  511.873  119.403  607.050   84.435  452.798   56.424  502.762   35.935 -49.96347 66.89558 
1 1 1   10    5   18 o  150.708   9.9087   57.388   6.2765   64.542   7.6914   43.129   10.859  166.010   9.9135  135.406   17.160 30.60326 19.81742 
1 1 1   10    5   19 o  141.991   9.3514   45.667   6.0921   36.429   7.8569   59.595   9.6473  124.594   13.493  159.387   12.951 -34.79322 18.70281 
1 1 1   10    5   20 f  459.165   24.746  507.030   53.063  528.505   74.961  485.462   75.124  469.208   34.184  449.122   35.791 20.08636 49.49287 
1 1 1   10    5   21 o  381.709   25.423  354.162   38.869  357.315   44.849  344.646   77.916  388.192   24.721  375.226   44.431 12.96609 50.84544 
1 1 1   10    5   22 o  266.822   20.653  181.419   23.190  201.283   28.340  141.169   40.341  291.850   20.778  241.794   35.700 50.05589 41.30587 
1 1 1   10    5   23 o  207.980   16.575  108.196   14.492  117.047   17.526   89.060   25.770  222.927   16.822  193.034   28.565 29.89270 33.14981 
1 1 1   10    5   24 o  201.710   14.158   98.349   12.940  123.857   18.127   71.843   18.478  229.318   16.914  174.102   22.710 55.21591 28.31664 
1 1 1   10    5   25 o  135.836   9.7615   42.269   6.0770   38.207   7.7328   48.830   9.8270  127.558   12.971  144.113   14.591 -16.55449 19.52295 
1 1 1   10    5   26 o  170.754   11.742   68.919   9.3525   73.244   13.164   64.511   13.290  176.234   15.983  165.274   17.206 10.95995 23.48366 
1 1 1   10    5   27 o  195.640   10.773   89.054   9.6785   83.759   12.423   97.231   15.438  188.492   14.102  202.788   16.290 -14.29559 21.54609 
1 1 1   10    5   28 o  123.485   14.292   38.326   7.4651   32.762   12.658   41.293   9.2439  114.744   24.357  132.227   14.959 -17.48331 28.58378 
1 1 1   10    5   29 o  262.658   19.457  168.306   22.399  163.851   38.755  170.541   27.448  258.327   32.101  266.989   21.997 -8.662018 38.91426 
1 1 1   10    5   30 o  104.905   15.123   30.314   6.8940   16.728   11.655   37.625   8.5502   83.589   26.548  126.220   14.495 -42.63175 30.24682 
1 1 1   10    5   31 o  147.294   17.205   52.931   11.517   45.783   15.926   60.767   16.675  135.450   26.104  159.138   22.420 -23.68793 34.41092 
1 1 1   10    5   32 o  140.410   13.712   45.869   8.6258   43.056   10.630   51.291   14.759  134.631   16.895  146.189   21.603 -11.55804 27.42474 
1 1 1   10    5   33 o  112.276   14.694   29.525   7.1459   26.981   8.6750   34.894   12.604  106.405   17.445  118.148   23.651 -11.74304 29.38876 
1 1 1   10    5   34 f  107.249   14.819   32.785   6.0472   36.785   6.9345   20.088   12.356  124.815   11.888   89.683   27.150 35.13204 29.63828 
1 1 1   10    5   35 o  305.064   17.104  228.514   24.163  194.339   34.138  262.827   34.206  281.059   25.989  329.069   22.242 -48.00974 34.20737 
1 1 1   10    5   36 o  338.290   30.499  307.691   48.143  291.221   68.239  324.013   67.930  327.804   44.543  348.775   41.675 -20.97064 60.99897 
1 1 1   10    5   37 o  102.006   26.092   26.702   12.488   26.702   12.488   0.0000   0.0000  102.006   26.092  ?   ?       ?      ? 
1 1 1   10    5   38 o   83.539   19.415   17.516   7.4359   17.516   7.4359   0.0000   0.0000   83.539   19.415  ?   ?       ?      ? 
1 1 1   10    5   39 o  203.065   19.030  103.524   18.025   96.168   25.402  110.985   25.581  195.311   27.830  210.819   25.964 -15.50816 38.06066 
1 1 1   10    5   40 o  179.044   15.838   80.841   12.308   74.310   21.265   84.131   15.094  171.527   26.528  186.561   17.311 -15.03400 31.67660 
1 1 1   10    5   41 o   76.742   13.479   14.929   4.8394   12.701   6.8231   17.185   6.8649   70.923   19.818   82.561   18.275 -11.63748 26.95805 
1 1 1   10    5   42 o  136.908   12.018   46.063   7.5022   35.261   10.717   56.445   10.506  120.309   19.060  153.506   14.644 -33.19692 24.03584 
1 1 1   10    5   43 o  140.048   11.832   47.788   7.6612   55.047   10.769   40.348   10.902  151.307   15.229  128.789   18.112 22.51764 23.66365 
1 1 1   10    5   44 o  162.064   12.201   68.400   8.5545   84.014   11.181   46.354   13.285  187.445   12.763  136.684   20.798 50.76134 24.40174 
1 1 1   10    5   45 o  113.985   12.178   31.642   6.4771   34.082   9.4351   29.467   8.9077  118.169   17.084  109.802   17.359 8.366478 24.35567 
1 1 1   10    5   46 o   83.370   13.830   17.831   5.2785   17.202   7.8819   18.342   7.1078   81.735   20.632   85.005   18.423 -3.270195 27.66020 
1 1 1   10    5   47 o  266.063   16.394  178.617   20.385  177.954   28.901  179.275   28.756  265.479   23.294  266.647   23.076 -1.168579 32.78832 
1 1 1   10    5   48 o  162.635   12.336   64.440   9.3679   68.252   13.548   60.947   12.967  167.281   17.330  157.988   17.562 9.293747 24.67291 
1 1 1   10    5   49 o  127.078   11.239   40.261   6.5125   46.608   8.8432   32.740   9.6267  138.983   13.615  115.173   17.885 23.81010 22.47724 
1 1 1   10    5   50 o  164.659   12.438   66.960   9.5341   61.759   13.665   71.894   13.309  157.958   18.511  171.360   16.618 -13.40207 24.87576 
1 1 1   10    5   51 o   95.581   17.347   24.337   7.2023   24.166   13.948   24.399   8.4104   93.604   28.944   97.557   19.130 -3.952827 34.69424 
1 1 1   10    5   52 o  177.464   16.214   78.337   13.014   69.342   16.151   94.990   21.976  164.956   20.950  189.972   24.752 -25.01509 32.42797 
1 1 1   10    5   53 o  216.470   33.131  135.925   33.517  135.925   33.517   0.0000   0.0000  216.470   33.131  ?   ?       ?      ? 
1 1 1   10    5   54 o  234.630   22.704  144.249   24.896  144.249   24.896   0.0000   0.0000  234.630   22.704  ?   ?       ?      ? 
1 1 1   10    5   55 o   92.475   14.954   25.452   7.7080   40.662   9.9229   2.3087   12.240  127.501   16.653   57.449   24.844 70.05115 29.90894 
1 1 1   10    5   56 o   83.729   16.709   19.474   6.8229   18.791   9.5376   20.191   9.7644   82.275   23.586   85.183   23.675 -2.908356 33.41851 
1 1 1   10    5   57 o   64.073   15.784   9.0660   6.4461   17.684   9.2726   1.0057   8.9674   79.352   23.404   48.795   21.183 30.55713 31.56718 
1 1 1   10    5   58 o   42.165   13.267  -2.6904   5.0882  -6.0967   6.2889   3.7649   8.6576   32.754   15.499   51.575   21.536 -18.82124 26.53327 
1 1 1   10    5   59 o   41.175   13.439  -7.6664   6.6739 -23.8027   11.148   1.3479   8.3321   34.931   17.380   47.419   20.502 -12.48801 26.87753 
1 1 1   10    5   60 o   67.482   15.350   12.726   5.5972   9.3430   7.6412   16.644   8.2220   59.293   21.454   75.671   21.959 -16.37836 30.69959 
1 1 1   10    5   61 o   47.028   14.688   1.4128   6.0767  -2.1069   11.156   2.8975   7.2458   47.827   21.947   46.230   19.526 1.596832 29.37611 
1 1 1   10    5   62 f   89.465   14.564   23.624   6.4683   34.321   9.0757   12.582   9.2211  113.562   17.100   65.367   23.580 48.19466 29.12840 
1 1 1   10    5   63 o   50.522   14.376   5.5807   5.3615   1.9746   7.4551   9.4441   7.7164   44.013   19.208   57.031   21.395 -13.01736 28.75262 
1 1 1   10    5   64 o   47.429   12.936   4.8269   4.5299   9.6888   6.0858  -1.2133   6.7833   56.945   19.246   37.914   17.290 19.03161 25.87241 
1 1 1   10    5   65 o   48.009   13.689   5.0971   4.9839   0.7675   7.1662   9.1531   6.9360   40.975   18.308   55.044   20.356 -14.06889 27.37834 
1 1 1   10    5   66 o   85.212   16.432   28.808   7.4921   17.480   13.173   34.225   9.1087   64.574   26.731  105.849   19.117 -41.27522 32.86304 
1 1 1   10    6    0 o  216.792   9.0413  111.094   12.852  111.094   12.852  111.094   12.852  216.792   12.786  216.792   12.786 -0.000000 0.000000 
1 1 1   10    6    1 o  171.835   9.6078   69.676   7.2556   70.666   8.8973   67.712   12.536  173.749   10.957  169.921   15.786 3.828110 19.21562 
1 1 1   10    6    2 o  365.888   14.917  313.231   25.302  302.887   33.473  327.019   38.645  358.999   19.951  372.776   22.182 -13.77652 29.83423 
1 1 1   10    6    3 o  537.875   24.080  687.828   60.460  649.719   85.496  725.950   85.510  522.713   34.998  553.037   33.084 -30.32404 48.16016 
1 1 1   10    6    4 o  737.717   51.212  1371.71  165.425  1380.92  202.626  1353.30  286.461  750.896   57.739  724.537   84.598 26.35907 102.4242 
1 1 1   10    6    5 o  760.218   44.546  1420.09  136.447  1442.70  272.922  1412.56  157.549  753.615   77.490  766.821   43.962 -13.20660 89.09215 
1 1 1   10    6    6 f  303.854   19.966  218.813   26.661  216.624   46.241  219.903   32.630  302.107   32.751  305.601   22.847 -3.493744 39.93264 
1 1 1   10    6    7 o  537.571   34.262  697.439   74.287  701.534  148.592  696.074   85.775  533.981   59.542  541.161   33.915 -7.180359 68.52393 
1 1 1   10    6    8 o  725.488   31.456  1268.68  106.502  1344.22  150.629  1193.17  150.605  747.762   43.102  703.215   45.826 44.54767 62.91120 
1 1 1   10    6    9 o  512.590   21.887  624.560   52.310  575.900   73.977  673.221   73.977  492.277   32.155  532.902   29.704 -40.62521 43.77464 
1 1 1   10    6   10 o  282.840   14.618  191.727   18.719  173.418   29.636  203.882   24.146  271.104   23.390  294.576   17.539 -23.47198 29.23553 
1 1 1   10    6   11 o  207.224   11.289   99.840   10.728  105.860   17.103   95.935   13.775  212.240   17.242  202.208   14.576 10.03140 22.57805 
1 1 1   10    6   12 o  588.732   28.221  825.818   76.442  892.534  120.884  781.364   98.677  607.024   42.611  570.439   37.014 36.58575 56.44205 
1 1 1   10    6   13 o  558.812   38.892  833.577   83.161  662.376  166.249  890.711   96.041  507.321   70.119  610.303   33.672 -102.9813 77.78452 
1 1 1   10    6   14 o  671.290   43.633  1134.94  117.355  1134.49  234.683  1135.10  135.515  658.225   76.289  684.355   42.371 -26.12927 87.26580 
1 1 1   10    6   15 o  488.686   33.071  581.323   71.179  590.919  123.293  576.525   87.175  488.089   54.050  489.282   38.123 -1.192902 66.14193 
1 1 1   10    6   16 o  491.844   35.640  620.528   74.958  528.356  129.832  666.614   91.804  457.500   60.722  526.188   37.332 -68.68805 71.28008 
1 1 1   10    6   17 o  290.821   16.325  200.056   22.186  197.410   31.450  202.678   31.303  288.875   23.295  292.767   22.878 -3.892181 32.65075 
1 1 1   10    6   18 o  635.404   35.663  1005.60  104.645  837.224  147.989  1173.99  147.992  578.702   54.718  692.106   45.753 -113.4039 71.32619 
1 1 1   10    6   19 o  510.630   26.707  644.892   61.392  562.119   97.041  700.126   79.271  480.072   43.252  541.188   31.342 -61.11584 53.41377 
1 1 1   10    6   20 o  197.158   12.760   91.576   11.754   89.759   16.713   93.353   16.533  195.200   18.320  199.117   17.767 -3.916870 25.52017 
1 1 1   10    6   21 o  125.911   13.119   37.038   6.1226   36.373   6.8802   39.569   13.421  124.535   11.821  127.287   23.424 -2.752144 26.23820 
1 1 1   10    6   22 o  131.656   11.072   34.285   6.1532   26.597   7.0804   58.007   12.437  106.386   14.241  156.926   16.958 -50.54063 22.14436 
1 1 1   10    6   23 o  100.745   13.391   22.427   5.3102   20.668   6.0290   28.516   11.214   93.799   13.753  107.691   22.982 -13.89166 26.78267 
1 1 1   10    6   24 o  468.552   34.818  564.823   70.179  500.060  121.524  597.227   85.961  441.213   58.935  495.892   37.091 -54.67838 69.63525 
1 1 1   10    6   25 o  168.491   11.723   66.981   9.2296   65.580   13.068   68.376   13.037  166.714   16.773  170.269   16.383 -3.555267 23.44649 
1 1 1   10    6   26 o  316.999   15.917  237.261   23.188  225.902   29.877  254.467   36.771  308.074   20.751  325.923   24.140 -17.84937 31.83353 
1 1 1   10    6   27 o  180.990   11.373   76.798   9.4245   74.210   12.076   80.831   15.074  177.320   14.572  184.660   17.467 -7.340363 22.74700 
1 1 1   10    6   28 o  468.351   24.272  546.907   51.685  565.765   66.706  518.579   81.757  481.805   29.624  454.897   38.456 26.90768 48.54387 
1 1 1   10    6   29 o  314.826   18.076  239.289   26.582  230.631   37.597  247.943   37.589  308.941   26.040  320.710   25.079 -11.76877 36.15259 
1 1 1   10    6   30 o  212.999   13.306  108.008   13.243  105.492   18.748  110.514   18.708  210.473   19.060  215.526   18.573 -5.053207 26.61270 
1 1 1   10    6   31 o  299.104   21.003  214.726   27.911  234.941   48.332  204.612   34.187  307.437   33.638  290.772   25.158 16.66510 42.00526 
1 1 1   10    6   32 o  121.338   15.611   40.688   7.7693   24.805   13.400   48.732   9.5357   99.167   27.796  143.508   14.218 -44.34108 31.22125 
1 1 1   10    6   33 o  263.739   15.800  168.407   19.458  175.712   27.453  161.033   27.583  269.716   21.779  257.763   22.897 11.95309 31.60042 
1 1 1   10    6   34 o  275.987   34.510  194.446   44.512   0.0000   0.0000  194.446   44.512  ?   ?   275.987   34.510      ?      ? 
1 1 1   10    6   35 o  327.900   31.918  297.518   45.291  388.888   64.130  206.597   63.973  389.257   35.252  266.543   53.219 122.7135 63.83513 
1 1 1   10    6   36 o  167.220   24.531   68.656   19.171   68.656   19.171   0.0000   0.0000  167.220   24.531  ?   ?       ?      ? 
1 1 1   10    6   37 o   51.623   18.263   5.6672   5.5051   5.6672   5.5051   0.0000   0.0000   51.623   18.263  ?   ?       ?      ? 
1 1 1   10    6   38 o  104.103   14.360   26.696   5.7033   26.613   6.4506   26.994   12.208  105.849   13.040  102.356   25.589 3.492409 28.71983 
1 1 1   10    6   39 o  324.718   20.204  250.530   29.433  207.825   35.973  337.025   51.195  287.231   26.798  362.206   30.243 -74.97467 40.40788 
1 1 1   10    6   40 o  248.504   15.220  152.544   17.635  140.322   24.831  164.981   25.048  237.949   22.329  259.060   20.689 -21.11143 30.44053 
1 1 1   10    6   41 o  105.214   10.356   25.980   5.0383   22.269   6.5940   31.186   7.8096   96.378   14.640  114.050   14.652 -17.67187 20.71213 
1 1 1   10    6   42 o  206.601   12.670  107.181   11.693  120.589   15.167   87.534   18.359  224.417   14.461  188.784   20.809 35.63310 25.34002 
1 1 1   10    6   43 o   68.319   14.735   9.6773   4.5349   7.5572   5.1678   16.776   9.4566   55.900   17.670   80.737   23.585 -24.83726 29.46969 
1 1 1   10    6   44 o  158.318   12.246   53.836   8.0655   46.145   9.2317   78.635   16.578  138.424   14.270  178.213   19.904 -39.78966 24.49111 
1 1 1   10    6   45 o  191.599   19.905  111.277   13.347  125.374   15.447   69.745   26.515  228.078   14.492  155.120   37.078 72.95818 39.80954 
1 1 1   10    6   46 o   72.565   15.280   12.837   5.0746   12.345   5.8728   14.287   10.081   69.742   17.921   75.387   24.755 -5.645348 30.56092 
1 1 1   10    6   47 o   47.442   13.964   1.8157   5.0628   1.3336   6.6378   2.4862   7.8282   44.897   18.811   49.987   20.642 -5.090508 27.92800 
1 1 1   10    6   48 o  133.196   14.396   42.800   8.7248   38.685   10.952   49.948   14.435  125.324   18.699  141.069   21.894 -15.74545 28.79246 
1 1 1   10    6   49 o  127.163   15.906   44.706   7.7034   47.636   8.9129   36.053   15.316  140.443   13.579  113.883   28.768 26.55932 31.81141 
1 1 1   10    6   50 f  132.919   17.957   53.967   10.072   68.497   12.485   26.889   17.043  167.601   15.939   98.237   32.183 69.36443 35.91375 
1 1 1   10    6   51 o  136.427   18.927   50.226   11.819   57.247   16.891   43.491   16.543  148.176   24.392  124.679   28.947 23.49668 37.85355 
1 1 1   10    6   52 o   83.156   22.533   18.519   8.9751   18.519   8.9751   0.0000   0.0000   83.156   22.533  ?   ?       ?      ? 
1 1 1   10    6   53 o  103.905   26.594   30.245   12.968   30.245   12.968   0.0000   0.0000  103.905   26.594  ?   ?       ?      ? 
1 1 1   10    6   54 f   76.350   27.789   15.307   12.848   15.307   12.848   0.0000   0.0000   76.350   27.789  ?   ?       ?      ? 
1 1 1   10    6   55 o   54.282   16.028   3.6928   6.4671   3.1958   7.9309   4.6790   11.172   50.153   20.749   58.411   24.434 -8.257717 32.05568 
1 1 1   10    6   56 o   76.721   20.135   15.832   7.3106   15.832   7.3106   0.0000   0.0000   76.721   20.135  ?   ?       ?      ? 
1 1 1   10    6   57 o   60.912   16.880   8.2201   6.7270   7.7468   8.2706   9.1451   11.563   57.920   22.054   63.903   25.562 -5.983402 33.76089 
1 1 1   10    6   58 o   78.603   16.221   15.019   6.9223   5.5316   8.8588   29.895   11.093   54.763   22.208  102.443   23.649 -47.68017 32.44191 
1 1 1   10    6   59 o   67.906   16.277   12.952   6.2549   15.090   8.2853   10.118   9.5380   72.913   22.268   62.898   23.747 10.01432 32.55449 
1 1 1   10    6   60 o   45.352   13.925   1.6369   5.4193   3.0003   6.7852  -0.7650   9.0061   45.580   19.052   45.123   20.315 0.4566765 27.85091 
1 1 1   10    6   61 o   56.359   15.129   7.7505   5.2453   6.9363   6.4075   9.4046   9.1330   52.760   19.555   59.957   23.091 -7.197136 30.25837 
1 1 1   10    6   62 o   56.060   15.079   8.5205   5.4658   9.8540   6.7168   5.9064   9.4044   58.733   20.214   53.388   22.381 5.344620 30.15801 
1 1 1   10    6   63 o   58.903   14.983   9.2646   5.4630   4.3338   7.1236   16.306   8.5124   46.904   19.556   70.902   22.706 -23.99793 29.96693 
1 1 1   10    6   64 o   41.258   12.838  -0.9583   5.2576   6.3138   7.3241  -8.6894   7.5517   49.841   20.200   32.674   15.850 17.16727 25.67605 
1 1 1   10    6   65 o   47.518   13.160   0.0570   5.2483   14.294   7.9289 -11.0444   7.0016   65.578   21.969   29.457   14.493 36.12064 26.31922 
1 1 1   10    6   66 o   48.990   15.166   2.0587   5.7733  -2.5173   6.6339   16.343   11.721   35.016   16.362   62.964   25.541 -27.94739 30.33266 
1 1 1   10    7    0 o  471.204   26.822  534.281   82.288  534.281   82.288  534.281   82.288  471.204   37.932  471.204   37.932 -0.000000 0.000000 
1 1 1   10    7    1 o  819.130   56.343  1679.16  204.793  1843.94  354.693  1596.76  250.826  838.218   90.543  800.043   67.084 38.17432 112.6862 
1 1 1   10    7    2 o  442.960   26.459  444.060   48.499  521.411   96.989  418.269   56.004  465.418   44.590  420.501   28.498 44.91693 52.91862 
1 1 1   10    7    3 o  166.040   10.935   64.811   8.4595   59.245   12.001   70.307   11.926  158.911   16.159  173.169   14.737 -14.25841 21.86994 
1 1 1   10    7    4 o  267.862   14.085  172.475   17.036  152.272   26.941  185.938   21.992  254.254   22.672  281.470   16.718 -27.21597 28.16975 
1 1 1   10    7    5 o  721.892   34.212  1269.29  112.695  1234.67  178.208  1292.36  145.477  710.645   53.658  733.139   42.459 -22.49384 68.42427 
1 1 1   10    7    6 o  458.114   24.710  501.495   52.735  456.229   74.575  546.771   74.583  436.969   36.518  479.258   33.299 -42.28860 49.42002 
1 1 1   10    7    7 o  214.591   17.249  114.810   15.767  125.848   19.322   92.812   27.277  231.412   17.866  197.769   29.512 33.64362 34.49844 
1 1 1   10    7    8 o  973.408   48.730  2396.88  217.558  2334.08  280.858  2491.09  344.004  964.871   62.284  981.946   74.961 -17.07495 97.45961 
1 1 1   10    7    9 o  423.218   18.808  416.935   36.668  383.124   47.305  467.831   58.039  402.408   25.153  444.027   27.968 -41.61890 37.61538 
1 1 1   10    7   10 o  641.340   33.142  1006.30   98.941  907.030  139.891  1105.66  139.958  608.211   49.214  674.468   44.401 -66.25629 66.28350 
1 1 1   10    7   11 o  581.879   39.460  851.807  100.073  810.822  173.238  872.332  122.597  564.493   65.666  599.266   43.774 -34.77277 78.91904 
1 1 1   10    7   12 o  452.437   28.240  479.513   57.000  543.453   98.653  447.471   69.837  472.591   44.667  432.284   34.568 40.30667 56.48056 
1 1 1   10    7   13 o  507.190   40.576  642.768   96.143  661.947  135.970  623.590  135.964  515.281   56.462  499.100   58.290 16.18030 81.15228 
1 1 1   10    7   14 o  182.111   14.482   78.685   11.540   76.781   20.114   79.619   14.089  180.166   23.889  184.057   16.379 -3.890884 28.96422 
1 1 1   10    7   15 o  109.389   9.6255   27.861   4.9013   31.282   7.2960   25.046   6.6167  115.466   13.520  103.313   13.704 12.15298 19.25096 
1 1 1   10    7   16 o  237.103   13.502  132.484   14.960  131.719   21.282  133.231   21.033  236.409   19.262  237.796   18.926 -1.387451 27.00431 
1 1 1   10    7   17 o  214.224   11.481  107.881   11.258  107.989   17.819  107.810   14.524  214.180   17.802  214.268   14.504 -0.8769226E-01 22.96208 
1 1 1   10    7   18 o  376.062   18.147  332.500   31.370  352.411   49.607  319.232   40.495  384.912   27.576  367.212   23.596 17.70032 36.29347 
1 1 1   10    7   19 o  431.209   20.765  438.731   41.187  471.328   65.134  417.013   53.166  443.761   31.406  418.658   27.172 25.10278 41.52929 
1 1 1   10    7   20 o  287.443   14.753  197.746   19.258  184.262   30.522  206.665   24.823  278.768   23.427  296.118   17.937 -17.35004 29.50536 
1 1 1   10    7   21 o  252.687   19.459  158.119   21.189  169.096   25.992  136.371   36.586  267.386   20.799  237.988   32.894 29.39740 38.91792 
1 1 1   10    7   22 o  100.302   14.506   24.772   5.6920   25.268   6.4894   23.117   11.852  103.731   13.386   96.874   25.740 6.856911 29.01293 
1 1 1   10    7   23 o  160.529   10.737   60.521   8.0422   55.850   11.154   65.578   11.606  154.067   15.491  166.992   14.872 -12.92451 21.47406 
1 1 1   10    7   24 o  380.223   20.437  350.048   35.876  288.643   50.643  411.909   50.831  345.559   31.359  414.887   26.215 -69.32840 40.87307 
1 1 1   10    7   25 o  321.236   18.153  250.036   26.853  298.741   38.052  201.718   37.901  353.531   23.031  288.941   28.067 64.59021 36.30656 
1 1 1   10    7   26 o  197.321   12.429   91.404   9.7487   90.592   11.146   94.050   20.108  196.213   12.155  198.430   21.683 -2.216461 24.85783 
1 1 1   10    7   27 o  368.539   25.511  328.809   41.838  309.696   51.247  367.007   72.449  355.884   30.812  381.194   40.667 -25.30997 51.02146 
1 1 1   10    7   28 o  308.811   22.057  231.321   30.073  226.464   36.808  241.070   52.154  306.284   25.714  311.339   35.843 -5.055328 44.11319 
1 1 1   10    7   29 o  246.480   18.596  148.685   19.973  151.804   24.398  142.348   34.778  252.073   20.710  240.886   30.892 11.18668 37.19207 
1 1 1   10    7   30 o  315.090   21.934  252.505   27.149  260.583   31.304  227.992   54.534  330.183   20.287  299.997   38.896 30.18542 43.86869 
1 1 1   10    7   31 o  277.682   24.051  194.006   30.807  228.465   43.680  159.900   43.456  304.050   30.740  251.314   36.999 52.73549 48.10230 
1 1 1   10    7   32 o  328.781   28.572  281.072   43.903  281.970   62.048  280.171   62.128  329.390   40.306  328.172   40.508 1.217987 57.14471 
1 1 1   10    7   33 o   92.446   15.499   19.982   6.3031   16.678   7.6577   26.922   11.099   81.646   20.183  103.247   23.527 -21.60165 30.99837 
1 1 1   10    7   34 o  155.104   17.750   60.411   12.369   65.155   16.634   54.542   18.500  163.974   21.706  146.235   28.091 17.73875 35.49949 
1 1 1   10    7   35 o  160.001   22.152   62.238   16.565   62.238   16.565   0.0000   0.0000  160.001   22.152  ?   ?       ?      ? 
1 1 1   10    7   36 o  384.714   30.104  373.674   54.127  373.674   54.127   0.0000   0.0000  384.714   30.104  ?   ?       ?      ? 
1 1 1   10    7   37 f  201.175   18.456   97.615   17.353   97.615   17.353   0.0000   0.0000  201.175   18.456  ?   ?       ?      ? 
1 1 1   10    7   38 o  255.747   16.130  151.962   18.381  132.655   22.311  192.750   32.428  233.202   20.471  278.292   24.933 -45.08961 32.26015 
1 1 1   10    7   39 o  230.952   15.890  125.366   16.367  111.180   19.920  154.842   28.714  213.204   19.992  248.701   24.705 -35.49677 31.78065 
1 1 1   10    7   40 o   62.342   14.677   9.4039   4.5952   10.375   5.1581   5.6687   10.115   64.337   16.927   60.346   23.983 3.990662 29.35471 
1 1 1   10    7   41 o  158.218   11.772   55.619   7.7066   50.677   8.8537   71.070   15.655  145.835   12.990  170.600   19.635 -24.76463 23.54309 
1 1 1   10    7   42 o   70.821   15.620   13.069   5.7752   15.608   6.8203   6.6365   10.856   78.491   18.833   63.151   24.925 15.34069 31.24040 
1 1 1   10    7   43 o   89.152   19.487   20.265   7.8928   20.265   7.8928   0.0000   0.0000   89.152   19.487  ?   ?       ?      ? 
1 1 1   10    7   44 o  157.435   17.572   60.642   12.929   60.642   12.929   0.0000   0.0000  157.435   17.572  ?   ?       ?      ? 
1 1 1   10    7   45 o   54.617   13.944   6.4023   4.1948   6.7583   4.8397   5.3270   8.4112   53.120   17.132   56.115   22.006 -2.994553 27.88871 
1 1 1   10    7   46 o   67.643   14.765   10.987   4.7545   10.417   5.5865   12.487   9.0551   64.259   17.925   71.028   23.467 -6.768547 29.52983 
1 1 1   10    7   47 o   68.676   15.127   11.896   5.7370   16.356   7.4731   5.4943   8.9525   79.854   20.053   57.497   22.654 22.35715 30.25382 
1 1 1   10    7   48 o   44.402   13.200   0.0781   4.5711  -2.5296   5.7123   4.7215   7.6225   35.714   16.119   53.091   20.908 -17.37722 26.40006 
1 1 1   10    7   49 o   52.647   14.986   1.6067   5.6621  -2.6337   7.0067   9.5871   9.6122   39.938   17.955   65.357   23.999 -25.41899 29.97201 
1 1 1   10    7   50 o   73.733   15.177   14.840   6.4986   22.168   7.9828   0.4404   11.190   92.967   19.014   54.499   23.661 38.46811 30.35464 
1 1 1   10    7   51 o   87.928   16.571   22.104   7.0988   26.427   8.7760   13.921   12.074  101.211   19.257   74.646   26.974 26.56503 33.14249 
1 1 1   10    7   52 o  107.520   20.599   30.253   9.9743   30.253   9.9743   0.0000   0.0000  107.520   20.599  ?   ?       ?      ? 
1 1 1   10    7   53 o   53.215   20.407   5.6377   7.1129   5.6377   7.1129   0.0000   0.0000   53.215   20.407  ?   ?       ?      ? 
1 1 1   10    7   54 o   63.332   15.955   9.4311   6.4921   14.724   8.3638   1.4079   10.297   73.928   22.328   52.737   22.797 21.19133 31.90968 
1 1 1   10    7   55 o  117.429   16.230   39.609   7.6221   42.495   8.9356   31.899   14.605  131.186   14.574  103.672   29.004 27.51463 32.45995 
1 1 1   10    7   56 o   64.277   16.150   4.0515   8.1717 -17.3393   12.050   22.262   11.119   40.607   19.772   87.946   25.540 -47.33846 32.29940 
1 1 1   10    7   57 o   51.346   16.030   0.6930   7.3279   1.8322   11.915  -0.0000   9.2934   54.882   24.108   47.811   21.135 7.070869 32.06054 
1 1 1   10    7   58 o   69.029   17.322   13.052   6.8647   13.601   8.4533   11.988   11.764   69.946   22.651   68.113   26.214 1.833412 34.64426 
1 1 1   10    7   59 o  105.245   15.731   30.382   6.9793   29.006   8.2499   33.845   13.089  105.759   16.691  104.732   26.670 1.026237 31.46289 
1 1 1   10    7   60 o   84.634   16.839   19.759   6.3432   16.528   7.4053   28.662   12.292   75.503   20.471   93.764   26.742 -18.26061 33.67817 
1 1 1   10    7   61 o   52.154   16.869  -1.2702   5.5522  -3.0471   5.8700   13.819   17.106   34.270   15.797   70.038   29.811 -35.76877 33.73776 
1 1 1   10    7   62 o   64.177   18.467   12.310   7.8357   11.624   8.8805   14.720   16.651   61.666   22.988   66.688   28.908 -5.022377 36.93436 
1 1 1   10    7   63 o   52.583   14.880   6.1862   6.1488   12.477   8.2019  -1.8863   9.2909   62.510   22.273   42.657   19.737 19.85336 29.75967 
1 1 1   10    7   64 o   47.960   14.139   2.7616   5.6242  -3.8194   7.4543   11.458   8.5693   36.470   17.138   59.450   22.494 -22.97996 28.27839 
1 1 1   10    7   65 o   61.236   14.791   11.357   6.9555  -9.1772   11.822   22.228   8.6018   40.684   19.758   81.788   22.016 -41.10424 29.58192 
1 1 1   10    7   66 o   78.423   28.458   29.035   13.459   29.035   13.459   0.0000   0.0000   78.423   28.458  ?   ?       ?      ? 
1 1 1   10    8    0 o  645.741   37.424  1018.26  157.253  1018.26  157.253  1018.26  157.253  645.741   52.925  645.741   52.925 -0.000000 0.000000 
1 1 1   10    8    1 o  421.727   26.648  411.106   50.241  479.473   87.017  376.920   61.533  445.843   41.762  397.611   33.114 48.23169 53.29692 
1 1 1   10    8    2 o  499.198   31.745  570.001   71.176  733.270  123.249  488.306   87.183  548.442   48.085  449.954   41.459 98.48883 63.49049 
1 1 1   10    8    3 o  458.939   20.892  496.977   44.029  518.276   69.632  482.788   56.833  466.444   31.942  451.434   26.938 15.00961 41.78461 
1 1 1   10    8    4 o  188.147   11.352   83.290   9.9222   95.016   14.180   72.041   13.889  201.202   15.080  175.093   16.973 26.10860 22.70414 
1 1 1   10    8    5 o  256.248   13.121  153.054   15.446  162.089   24.478  147.076   19.911  262.336   19.965  250.160   17.031 12.17661 26.24227 
1 1 1   10    8    6 o  724.445   45.492  1266.19  147.686  1120.24  180.843  1558.41  255.898  670.196   57.737  778.693   70.317 -108.4971 90.98367 
1 1 1   10    8    7 o  359.567   19.198  315.552   30.995  346.305   39.990  269.284   49.052  383.011   22.341  336.123   31.226 46.88788 38.39510 
1 1 1   10    8    8 o  611.409   32.795  912.275   93.709  910.393  132.489  914.160  132.559  610.757   46.416  612.062   46.342 -1.304138 65.58956 
1 1 1   10    8    9 o  631.894   34.868  980.177  102.925  1011.69  145.527  948.641  145.590  642.575   48.459  621.213   50.147 21.36224 69.73576 
1 1 1   10    8   10 o  220.692   18.859  115.522   19.446  118.196   27.463  112.834   27.539  223.296   26.316  218.089   27.019 5.207642 37.71733 
1 1 1   10    8   11 o  401.613   31.743  393.339   59.477  367.733   84.083  418.984   84.144  387.966   46.373  415.260   43.357 -27.29327 63.48502 
1 1 1   10    8   12 o  287.812   24.225  202.360   31.531  145.033   44.561  259.842   44.621  245.140   38.896  330.485   28.890 -85.34492 48.45087 
1 1 1   10    8   13 o  565.119   37.506  784.545   93.642  765.848  114.693  821.929  162.177  560.504   43.784  569.734   60.908 -9.229736 75.01230 
1 1 1   10    8   14 o  576.895   38.765  828.275   98.371  821.818  120.491  841.182  170.351  579.949   44.455  573.842   63.520 6.107605 77.53080 
1 1 1   10    8   15 o  406.218   22.248  395.648   42.031  351.338   59.401  440.079   59.482  382.853   33.199  429.584   29.627 -46.73090 44.49640 
1 1 1   10    8   16 o  142.930   10.424   47.981   6.9605   46.169   9.7979   49.827   9.8899  140.195   14.954  145.665   14.528 -5.470200 20.84879 
1 1 1   10    8   17 o  292.984   15.782  203.449   21.528  182.845   30.401  224.173   30.489  277.898   23.408  308.071   21.176 -30.17255 31.56491 
1 1 1   10    8   18 o  235.259   14.291  130.705   15.707  126.141   22.158  135.316   22.268  231.092   20.516  239.425   19.901 -8.332596 28.58258 
1 1 1   10    8   19 o  584.159   30.262  839.014   82.378  909.298  116.511  768.756  116.489  609.896   40.876  558.422   44.635 51.47363 60.52410 
1 1 1   10    8   20 o  361.540   20.152  313.014   33.947  285.770   48.028  340.213   47.989  345.426   29.751  377.654   27.190 -32.22781 40.30344 
1 1 1   10    8   21 o  323.363   30.425  295.782   37.601  355.191   46.050  176.931   65.133  386.420   25.499  260.306   55.249 126.1144 60.84914 
1 1 1   10    8   22 o  257.828   21.652  159.809   26.036  147.389   36.613  172.516   37.033  247.443   31.660  268.214   29.543 -20.77043 43.30324 
1 1 1   10    8   23 o  136.583   13.359   43.812   7.5862   43.390   8.8750   44.956   14.618  135.775   13.986  137.391   22.765 -1.616318 26.71837 
1 1 1   10    8   24 o  338.185   19.693  272.959   26.957  269.432   31.093  283.635   54.093  336.646   19.763  339.724   34.070 -3.078491 39.38694 
1 1 1   10    8   25 o  242.360   14.580  129.951   14.543  119.852   16.681  161.944   29.690  225.133   15.854  259.588   24.473 -34.45515 29.15979 
1 1 1   10    8   26 o  471.823   36.780  611.808   66.930  637.275   77.255  535.169  134.017  509.238   32.461  434.409   66.011 74.82843 73.56100 
1 1 1   10    8   27 o  326.817   19.971  240.579   27.145  219.982   31.304  303.017   54.502  303.132   22.096  350.501   33.272 -47.36868 39.94119 
1 1 1   10    8   28 o  389.064   21.340  336.372   34.771  298.190   40.104  451.961   69.779  351.794   24.393  426.334   35.021 -74.53934 42.67905 
1 1 1   10    8   29 o  289.249   22.551  220.473   25.051  233.892   28.886  179.764   50.313  313.001   19.747  265.497   40.549 47.50394 45.10191 
1 1 1   10    8   30 o  216.542   14.569  118.543   12.281  124.338   14.150  100.856   24.722  229.463   13.195  203.621   25.978 25.84169 29.13725 
1 1 1   10    8   31 o   63.918   14.251   7.5643   3.6876   6.4298   3.9993   14.003   9.5272   51.699   15.400   76.138   23.983 -24.43885 28.50231 
1 1 1   10    8   32 o   61.619   16.505   6.1953   6.7168   10.728   9.6904   2.0035   9.3185   69.467   24.258   53.771   22.389 15.69612 33.01059 
1 1 1   10    8   33 f  161.752   19.630   68.677   13.826   40.528   19.702   95.991   19.408  124.187   33.275  199.317   20.835 -75.13061 39.25941 
1 1 1   10    8   34 o  124.846   15.641   37.148   9.1262   37.148   9.1262   0.0000   0.0000  124.846   15.641  ?   ?       ?      ? 
1 1 1   10    8   35 o  105.570   13.195   26.442   6.5100   26.442   6.5100   0.0000   0.0000  105.570   13.195  ?   ?       ?      ? 
1 1 1   10    8   36 o  166.491   16.161   66.349   12.575   66.349   12.575   0.0000   0.0000  166.491   16.161  ?   ?       ?      ? 
1 1 1   10    8   37 o  179.691   19.192   83.294   14.976   54.551   20.795  114.263   21.585  143.223   31.887  216.158   21.366 -72.93518 38.38328 
1 1 1   10    8   38 o  149.707   17.690   56.788   12.104   57.634   16.786   55.872   17.468  152.275   23.588  147.139   26.371 5.135834 35.38097 
1 1 1   10    8   39 o  269.000   25.381  196.334   31.832  209.003   44.906  183.538   45.130  279.234   34.411  258.765   37.318 20.46912 50.76130 
1 1 1   10    8   40 o  155.909   17.684   62.064   12.050   39.834   16.453   87.784   17.698  122.401   29.175  189.417   19.992 -67.01614 35.36776 
1 1 1   10    8   41 o  219.951   21.206  125.514   21.769  118.594   30.759  132.458   30.813  213.228   30.866  226.673   29.086 -13.44473 42.41134 
1 1 1   10    8   42 o  221.758   25.665  164.451   19.682  189.889   22.693   87.228   39.538  279.263   17.387  164.254   48.295 115.0083 51.32983 
1 1 1   10    8   43 o  131.193   14.295   41.248   8.4391   37.552   10.423   48.283   14.380  123.745   18.023  138.641   22.193 -14.89575 28.58900 
1 1 1   10    8   44 f  179.700   19.312   83.840   16.208   81.056   22.977   86.597   22.868  176.354   27.878  183.047   26.731 -6.692657 38.62323 
1 1 1   10    8   45 o  112.883   16.427   34.130   7.9325   36.709   9.6250   28.668   14.006  122.794   16.772  102.973   28.251 19.82169 32.85470 
1 1 1   10    8   46 o  109.130   16.218   29.054   7.6297   25.248   9.2547   37.130   13.481   99.330   20.611  118.929   25.045 -19.59973 32.43572 
1 1 1   10    8   47 o  226.004   15.967  118.273   16.120   92.296   19.624  172.174   28.267  191.535   21.922  260.473   23.221 -68.93794 31.93428 
1 1 1   10    8   48 o  134.442   15.608   44.761   9.0442   41.368   10.979   51.923   15.952  129.242   18.177  139.643   25.378 -10.40071 31.21657 
1 1 1   10    8   49 o   69.206   15.963   12.004   5.7022   12.426   6.8566   11.056   10.268   69.590   20.012   68.822   24.875 0.7673187 31.92575 
1 1 1   10    8   50 o   81.085   18.180   15.696   8.5942   28.459   12.572   4.5010   11.775  101.799   26.255   60.371   25.155 41.42828 36.36026 
1 1 1   10    8   51 f  108.241   29.169   33.489   15.089   33.489   15.089   0.0000   0.0000  108.241   29.169  ?   ?       ?      ? 
1 1 1   10    8   52 o   54.050   19.989   6.3452   6.6880   6.3452   6.6880   0.0000   0.0000   54.050   19.989  ?   ?       ?      ? 
1 1 1   10    8   53 o   51.224   15.368   0.7510   6.9574 -13.0073   12.418   7.0459   8.3995   44.551   21.277   57.897   22.182 -13.34663 30.73683 
1 1 1   10    8   54 o  103.357   20.306   31.432   10.109   31.219   15.460   31.591   13.361  101.927   30.261  104.787   27.086 -2.859489 40.61191 
1 1 1   10    8   55 o   43.776   14.120  -3.0344   6.1462  -1.2630   7.4611  -6.7743   10.841   42.326   18.812   45.227   21.061 -2.900764 28.23907 
1 1 1   10    8   56 o   70.226   17.819   12.060   8.0393   3.5401   11.200   21.116   11.547   55.949   23.975   84.503   26.369 -28.55416 35.63855 
1 1 1   10    8   57 o   51.179   15.231  -0.9273   6.4016  -7.6850   8.0170   10.962   10.634   36.657   17.390   65.702   25.009 -29.04455 30.46100 
1 1 1   10    8   58 o   40.891   13.503  -5.4840   6.2859  -3.1089   7.8916  -9.6067   10.397   40.645   18.580   41.138   19.598 -0.4929619 27.00514 
1 1 1   10    8   59 o   44.836   14.079  -1.7444   6.0337  -6.9883   8.0112   5.1292   9.1719   36.572   17.359   53.100   22.169 -16.52846 28.15713 
1 1 1   10    8   60 o   50.218   15.004   3.6674   6.1770   6.6270   7.6026  -2.0812   10.596   53.435   20.931   47.002   21.502 6.433167 30.00718 
1 1 1   10    8   61 o   42.963   14.144  -3.9303   6.8994  -3.6731   9.4612  -4.2224   10.083   42.562   19.771   43.364   20.232 -0.8020210 28.28881 
1 1 1   10    8   62 o   46.935   14.311  -1.1165   5.3837  -6.2712   6.3331   12.315   10.223   31.584   15.114   62.286   24.306 -30.70198 28.62214 
1 1 1   10    8   63 o   50.830   14.866   6.0648   5.8189   3.3238   8.0154   9.1192   8.4612   46.099   20.020   55.561   21.981 -9.461910 29.73163 
1 1 1   10    8   64 o   38.968   12.914  -3.1006   5.8326  -5.6936   9.5670  -1.5667   7.3583   39.384   18.772   38.551   17.740 0.8335114 25.82832 
1 1 1   10    8   65 o   63.464   17.755   15.760   8.3705   7.9276   12.379   22.358   11.362   53.440   23.957   73.488   26.211 -20.04816 35.51045 
1 1 1   10    9    0 o  604.476   34.977  891.744  137.585  891.744  137.585  891.744  137.585  604.476   49.464  604.476   49.464 -0.000000 0.000000 
1 1 1   10    9    1 o  688.674   35.145  1168.35  112.455  1306.84  159.057  1029.93  159.014  731.688   46.514  645.661   52.697 86.02765 70.28923 
1 1 1   10    9    2 o  489.087   24.354  577.278   54.262  595.295   70.063  550.273   85.775  500.117   29.976  478.056   38.392 22.06067 48.70811 
1 1 1   10    9    3 o  184.681   14.480   79.119   11.808   84.253   20.653   76.626   14.392  188.818   23.404  180.544   17.057 8.274475 28.96061 
1 1 1   10    9    4 f   86.894   13.387   20.377   5.0887   11.765   9.0524   24.356   6.1530   71.869   23.450  101.918   12.918 -30.04926 26.77299 
1 1 1   10    9    5 o  316.101   21.941  235.823   32.414   0.0000   0.0000  235.823   32.414  ?   ?   316.101   21.941      ?      ? 
1 1 1   10    9    6 o  500.041   25.324  592.107   59.181   0.0000   0.0000  592.107   59.181  ?   ?   500.041   25.324      ?      ? 
1 1 1   10    9    7 o  357.643   23.357  295.596   37.310  273.273   45.696  340.234   64.618  339.018   28.841  376.267   36.746 -37.24918 46.71312 
1 1 1   10    9    8 o  312.243   25.063  233.996   36.555  225.240   51.664  242.775   51.729  306.241   36.098  318.246   34.780 -12.00516 50.12675 
1 1 1   10    9    9 o  473.653   31.004  534.178   65.259  508.454   79.912  585.679  113.069  459.581   37.205  487.725   49.605 -28.14331 62.00728 
1 1 1   10    9   10 o  514.734   34.709  647.916   78.782  638.396   96.485  666.960  136.465  513.447   40.209  516.021   56.586 -2.573975 69.41714 
1 1 1   10    9   11 o  200.781   13.993   92.165   12.582   85.602   15.467  105.006   21.634  190.740   17.351  210.821   21.957 -20.08055 27.98509 
1 1 1   10    9   12 f  806.048   43.682  1664.19  162.120  1361.42  229.228  1967.20  229.315  725.656   67.592  886.440   55.353 -160.7839 87.36482 
1 1 1   10    9   13 o  397.244   21.548  378.027   39.774  331.982   56.204  424.221   56.294  372.409   32.293  422.079   28.538 -49.66980 43.09572 
1 1 1   10    9   14 o  289.546   16.088  198.513   21.731  184.659   30.714  212.397   30.749  279.299   23.530  299.793   21.946 -20.49393 32.17651 
1 1 1   10    9   15 o  326.573   23.053  258.672   32.835  264.587   40.134  246.701   57.099  333.832   25.724  319.314   38.262 14.51791 46.10565 
1 1 1   10    9   16 o  407.099   31.503  428.818   54.303  469.483   66.476  347.250   94.147  442.420   32.150  371.779   54.185 70.64105 63.00529 
1 1 1   10    9   17 o  419.980   30.997  449.407   55.833  479.310   68.345  389.410   96.809  446.389   32.760  393.571   52.632 52.81778 61.99485 
1 1 1   10    9   18 o  252.775   16.819  144.347   18.986  128.615   23.142  176.740   33.208  233.130   21.240  272.421   26.083 -39.29065 33.63726 
1 1 1   10    9   19 o  335.167   21.812  257.039   32.722  229.451   40.008  312.778   56.868  310.110   27.605  360.224   33.779 -50.11441 43.62448 
1 1 1   10    9   20 o  267.207   21.207  182.643   23.887  203.457   29.280  141.221   41.306  293.165   21.370  241.249   36.636 51.91602 42.41305 
1 1 1   10    9   21 o  164.264   17.112   64.495   13.087   68.868   18.204   59.817   18.828  170.212   22.884  158.316   25.448 11.89630 34.22369 
1 1 1   10    9   22 o  213.182   20.122  110.739   19.802  127.849   27.703   92.862   28.317  230.816   25.681  195.548   30.985 35.26735 40.24407 
1 1 1   10    9   23 o  311.616   22.769  240.691   30.831  246.347   37.625  229.131   53.789  320.038   25.156  303.195   37.960 16.84302 45.53859 
1 1 1   10    9   24 o   92.346   15.923   21.814   6.5271   23.393   7.8920   18.397   11.611   97.829   17.922   86.862   26.325 10.96693 31.84605 
1 1 1   10    9   25 o  209.845   17.139  108.349   14.136  110.650   16.226  101.101   28.797  216.235   16.056  203.455   30.286 12.78044 34.27860 
1 1 1   10    9   26 o   62.638   13.529   10.081   3.8682   11.345   4.2023   3.0643   9.8986   68.171   13.666   57.104   23.354 11.06722 27.05854 
1 1 1   10    9   27 o  179.339   13.205   70.199   9.6653   64.245   11.022   90.009   20.105  164.922   14.301  193.755   22.203 -28.83292 26.41010 
1 1 1   10    9   28 o  176.078   12.537   67.995   9.0061   62.594   10.278   85.860   18.692  162.833   13.506  189.324   21.126 -26.49092 25.07385 
1 1 1   10    9   29 o  255.524   22.543  162.355   26.856  150.714   38.093  173.858   37.868  245.787   33.162  265.261   30.546 -19.47400 45.08654 
1 1 1   10    9   30 o  147.196   12.435   49.214   7.2759   47.088   8.2573   56.599   15.388  141.191   12.514  153.202   21.492 -12.01077 24.86928 
1 1 1   10    9   31 o  201.902   19.893  102.837   17.901  127.295   25.546   79.244   25.090  228.449   23.927  175.355   31.786 53.09383 39.78545 
1 1 1   10    9   32 o  298.665   26.644  232.619   36.792  268.030   52.054  197.266   52.010  324.000   34.377  273.330   40.716 50.67001 53.28720 
1 1 1   10    9   33 o  280.855   35.183  202.902   46.181  202.902   46.181   0.0000   0.0000  280.855   35.183  ?   ?       ?      ? 
1 1 1   10    9   34 o  193.541   13.629   88.956   12.327   88.956   12.327   0.0000   0.0000  193.541   13.629  ?   ?       ?      ? 
1 1 1   10    9   35 o   66.949   14.357   11.067   4.3573   11.067   4.3573   0.0000   0.0000   66.949   14.357  ?   ?       ?      ? 
1 1 1   10    9   36 o  104.449   13.615   26.397   5.5407   25.927   6.3339   27.931   11.435  104.451   12.975  104.446   23.939 0.4096985E-02 27.22928 
1 1 1   10    9   37 o  139.074   12.027   43.703   6.8456   40.767   7.8470   53.054   14.004  130.872   12.830  147.277   20.346 -16.40437 24.05317 
1 1 1   10    9   38 o   56.969   15.869   4.5786   6.2391   1.7983   8.2638   8.2643   9.5146   50.238   21.015   63.700   23.785 -13.46118 31.73883 
1 1 1   10    9   39 o  162.695   13.955   64.607   9.7098   64.463   11.618   64.941   17.684  163.866   15.170  161.523   23.426 2.343628 27.90922 
1 1 1   10    9   40 o  256.543   19.535  160.945   22.330  146.038   27.241  191.478   38.986  241.739   24.112  271.347   30.743 -29.60794 39.07058 
1 1 1   10    9   41 o  167.765   16.960   73.040   11.726   75.578   14.146   67.465   20.962  176.354   17.164  159.176   29.256 17.17790 33.91932 
1 1 1   10    9   42 o   60.241   14.225   6.5408   4.1612   4.3324   4.7291   14.115   8.7581   46.107   16.848   74.375   22.925 -28.26743 28.44990 
1 1 1   10    9   43 o  113.953   14.433   32.059   6.1460   31.546   6.9232   33.964   13.351  114.769   12.907  113.137   25.819 1.632202 28.86569 
1 1 1   10    9   44 o  124.070   15.326   39.693   8.1093   41.150   9.9929   36.882   13.878  130.122   16.432  118.018   25.874 12.10490 30.65118 
1 1 1   10    9   45 o   65.275   15.684   10.410   5.4823   11.794   6.3422   6.3193   10.904   68.194   19.125   62.356   24.863 5.838314 31.36823 
1 1 1   10    9   46 o   76.501   15.178   16.694   5.6098   19.601   6.3672   6.6059   11.859   88.693   15.947   64.309   25.830 24.38425 30.35586 
1 1 1   10    9   47 o   97.214   15.704   28.994   6.5351   33.645   7.4753   13.917   13.460  118.043   13.550   76.384   28.335 41.65932 31.40866 
1 1 1   10    9   48 f  116.528   16.638   36.809   8.2712   39.636   10.064   30.926   14.519  127.159   16.934  105.896   28.645 21.26320 33.27651 
1 1 1   10    9   49 o   87.126   19.722   20.564   9.2629   15.648   13.373   25.098   12.843   78.801   28.402   95.452   27.371 -16.65125 39.44374 
1 1 1   10    9   50 o   99.338   19.387   27.151   9.7972   39.014   14.203   16.382   13.532  119.210   26.207   79.466   28.578 39.74400 38.77498 
1 1 1   10    9   51 o   88.346   16.679   19.884   6.6342   19.884   6.6342   0.0000   0.0000   88.346   16.679  ?   ?       ?      ? 
1 1 1   10    9   52 o   48.141   22.411  -7.7178   12.261  -7.7178   12.261   0.0000   0.0000   48.141   22.411  ?   ?       ?      ? 
1 1 1   10    9   53 o   69.258   17.517   9.5498   8.6581  -6.9516   13.245   21.864   11.441   50.596   23.465   87.920   26.016 -37.32394 35.03490 
1 1 1   10    9   54 o   64.174   16.055   9.1853   6.2319   4.1725   8.2278   15.931   9.5447   52.254   21.322   76.094   24.009 -23.84001 32.11052 
1 1 1   10    9   55 o  130.450   16.132   46.487   9.2895   47.117   11.873   45.493   14.917  135.054   18.811  125.846   26.214 9.208694 32.26484 
1 1 1   10    9   56 o  108.445   15.372   30.879   7.0816   27.757   8.5108   37.907   12.767  102.104   18.518  114.787   24.543 -12.68298 30.74480 
1 1 1   10    9   57 o   56.261   15.112   6.9484   5.2414   5.8735   6.4319   9.0732   9.0430   51.510   19.488   61.012   23.102 -9.501961 30.22359 
1 1 1   10    9   58 o   77.703   13.103   19.143   5.5497   27.189   6.7982   3.0685   9.6091  103.866   14.005   51.540   22.150 52.32660 26.20581 
1 1 1   10    9   59 f   87.362   16.683   24.414   7.2200   28.844   9.2851   17.640   11.483  100.558   20.454   74.167   26.361 26.39080 33.36578 
1 1 1   10    9   60 o   55.770   16.359   5.7191   7.3521  -0.9486   11.354   10.534   9.6480   49.420   22.472   62.121   23.780 -12.70137 32.71835 
1 1 1   10    9   61 o   40.327   18.481  -1.8194   7.8743  -1.8194   7.8743   0.0000   0.0000   40.327   18.481  ?   ?       ?      ? 
1 1 1   10    9   62 o   43.855   13.643   2.0940   5.0519   2.2846   5.9914   1.6252   9.3968   41.242   17.600   46.468   20.849 -5.225662 27.28505 
1 1 1   10    9   63 o   50.064   13.813   4.9841   5.8314   12.622   7.1308 -10.4370   10.132   62.841   20.828   37.287   18.150 25.55466 27.62666 
1 1 1   10    9   64 o   52.163   22.094   7.2514   9.3185   0.0000   0.0000   7.2514   9.3185  ?   ?    52.163   22.094      ?      ? 
1 1 1   10    9   65 o   78.763   29.266   30.719   14.370   30.719   14.370   0.0000   0.0000   78.763   29.266  ?   ?       ?      ? 
1 1 1   10   10    0 o  176.945   11.625   75.246   13.326   75.246   13.326   75.246   13.326  176.945   16.441  176.945   16.441 -0.000000 0.000000 
1 1 1   10   10    1 o  373.184   19.725  331.678   34.268  365.140   48.496  298.309   48.429  392.339   26.449  354.029   29.270 38.31033 39.44969 
1 1 1   10   10    2 o  807.420   62.288  1830.18  213.550  1946.07  261.573  1598.53  369.797  874.511   64.001  740.330  106.880 134.1808 124.5769 
1 1 1   10   10    3 o  211.924   18.499  106.748   18.269   97.940   25.917  115.448   25.758  203.076   27.307  220.772   24.964 -17.69629 36.99876 
1 1 1   10   10    4 o  310.718   24.752  231.719   35.937  237.100   50.978  226.404   50.669  314.375   34.697  307.060   35.308 7.314575 49.50314 
1 1 1   10   10    5 o  208.059   25.219  102.598   24.522   0.0000   0.0000  102.598   24.522  ?   ?   208.059   25.219      ?      ? 
1 1 1   10   10    6 o  353.240   24.101  288.301   38.100  263.584   46.707  337.452   65.864  332.457   30.061  374.023   37.680 -41.56650 48.20197 
1 1 1   10   10    7 o  474.553   36.684  542.515   81.358  542.515   81.358   0.0000   0.0000  474.553   36.684  ?   ?       ?      ? 
1 1 1   10   10    8 o  332.466   26.157  262.395   40.642  262.395   40.642   0.0000   0.0000  332.466   26.157  ?   ?       ?      ? 
1 1 1   10   10    9 o  947.632   70.901  2526.04  296.931  2388.90  363.630  2800.49  514.396  938.530   82.903  956.733  115.044 -18.20276 141.8026 
1 1 1   10   10   10 o  217.651   15.186  106.694   14.673   96.463   17.785  128.501   25.966  202.343   18.807  232.959   23.850 -30.61664 30.37293 
1 1 1   10   10   11 o  244.174   19.625  148.446   20.404  159.997   24.865  124.632   35.702  260.392   20.433  227.956   33.512 32.43694 39.24962 
1 1 1   10   10   12 o  449.193   33.276  513.378   64.205  545.996   78.611  448.023  111.274  476.315   35.314  422.072   56.411 54.24292 66.55294 
1 1 1   10   10   13 o  537.446   42.660  705.598  107.151  705.598  107.151   0.0000   0.0000  537.446   42.660  ?   ?       ?      ? 
1 1 1   10   10   14 o  462.729   32.240  544.052   64.198  575.499   78.582  480.946  111.320  488.664   34.409  436.794   54.532 51.86966 64.48038 
1 1 1   10   10   15 o  322.768   18.958  233.143   27.413  198.726   33.449  303.542   47.839  289.176   24.750  356.360   28.724 -67.18387 37.91646 
1 1 1   10   10   16 o  327.245   19.384  235.903   28.424  187.374   34.729  334.372   49.470  280.410   26.500  374.080   28.297 -93.66962 38.76817 
1 1 1   10   10   17 o  242.519   17.400  140.227   18.400  141.141   22.372  138.317   32.344  244.475   19.581  240.562   28.769 3.912857 34.80008 
1 1 1   10   10   18 o  408.337   32.596  447.782   54.930  509.611   67.251  323.859   95.210  460.634   31.239  356.040   57.219 104.5934 65.19114 
1 1 1   10   10   19 o  118.632   11.070   33.064   6.1270   34.485   8.9890   31.831   8.3735  120.992   15.897  116.271   15.410 4.720848 22.13967 
1 1 1   10   10   20 o   82.760   15.406   17.330   5.6869   18.470   6.6795   14.327   10.842   86.947   17.047   78.574   25.666 8.373039 30.81122 
1 1 1   10   10   21 o  326.036   20.659  245.588   30.173  302.309   52.387  217.431   36.910  351.693   31.873  300.379   26.293 51.31488 41.31799 
1 1 1   10   10   22 o  279.933   18.824  184.243   23.374  173.915   28.511  205.414   40.821  269.552   22.633  290.314   30.086 -20.76212 37.64863 
1 1 1   10   10   23 o  171.320   11.562   61.261   8.0418   54.046   9.1017   86.939   17.171  151.471   12.857  191.168   19.220 -39.69693 23.12361 
1 1 1   10   10   24 o  173.457   11.365   61.049   8.0892   51.626   9.1721   94.037   17.161  147.990   13.261  198.923   18.460 -50.93272 22.72938 
1 1 1   10   10   25 o  254.327   14.357  144.605   15.056  134.604   17.315  175.615   30.489  238.532   15.532  270.123   24.151 -31.59058 28.71415 
1 1 1   10   10   26 o  293.759   17.876  200.085   21.524  191.288   24.811  226.849   43.276  283.447   18.729  304.070   30.453 -20.62311 35.75187 
1 1 1   10   10   27 o  173.620   12.604   66.832   9.7616   56.419   11.840   88.932   17.249  154.186   16.431  193.055   19.118 -38.86961 25.20878 
1 1 1   10   10   28 o  133.154   12.914   41.842   7.4088   41.107   8.8680   43.541   13.481  131.765   14.401  134.544   21.440 -2.779297 25.82743 
1 1 1   10   10   29 o  213.754   15.004  101.225   14.334   79.943   17.449  145.378   25.134  182.254   20.486  245.255   21.928 -63.00056 30.00849 
1 1 1   10   10   30 o  166.947   14.188   67.580   10.153   68.268   12.198   66.027   18.321  169.374   15.410  164.520   23.828 4.854172 28.37665 
1 1 1   10   10   31 o  216.240   17.602  114.820   16.665  115.316   20.364  113.814   28.994  218.758   19.919  213.723   29.028 5.034256 35.20488 
1 1 1   10   10   32 o  115.820   25.148   34.107   13.222   34.107   13.222   0.0000   0.0000  115.820   25.148  ?   ?       ?      ? 
1 1 1   10   10   33 o  100.808   16.174   24.295   7.6203   24.295   7.6203   0.0000   0.0000  100.808   16.174  ?   ?       ?      ? 
1 1 1   10   10   34 o  195.776   13.565   91.100   12.411   91.100   12.411   0.0000   0.0000  195.776   13.565  ?   ?       ?      ? 
1 1 1   10   10   35 o  128.481   12.117   36.437   6.3930   33.208   7.3133   46.899   13.165  118.164   13.243  138.799   20.295 -20.63498 24.23312 
1 1 1   10   10   36 o   68.215   13.958   11.079   4.0582   10.911   4.5328   11.759   9.1101   66.233   14.993   70.197   23.549 -3.963287 27.91653 
1 1 1   10   10   37 f  167.122   17.275   69.870   13.446   62.373   18.534   78.200   19.536  157.313   25.209  176.931   23.626 -19.61833 34.54990 
1 1 1   10   10   38 f  180.538   13.131   73.757   10.500   63.134   12.638   97.429   18.867  161.698   16.724  199.378   20.248 -37.68039 26.26111 
1 1 1   10   10   39 o  179.393   18.615   81.523   15.572   78.227   22.426   84.592   21.640  175.335   27.368  183.452   25.240 -8.117432 37.23031 
1 1 1   10   10   40 o   90.847   14.205   19.689   4.8883   19.056   5.4312   22.389   11.217   89.295   13.014   92.399   25.255 -3.103371 28.41077 
1 1 1   10   10   41 o  218.779   22.993  151.930   17.197  172.500   19.845   89.914   34.457  266.683   15.922  170.874   43.141 95.80965 45.98529 
1 1 1   10   10   42 o  112.096   17.577   34.268   9.0357   40.290   11.641   25.140   14.332  127.710   19.503   96.483   29.248 31.22656 35.15421 
1 1 1   10   10   43 o   89.271   15.722   22.503   6.3714   25.746   7.3980   13.193   12.537  103.184   15.341   75.358   27.448 27.82577 31.44396 
1 1 1   10   10   44 o   74.798   15.599   13.963   5.2023   14.002   5.8887   13.826   11.104   74.391   17.270   75.205   25.983 -0.8139114 31.19869 
1 1 1   10   10   45 o  142.692   15.616   52.491   9.1395   53.936   10.957   49.187   16.569  149.231   15.711  136.153   26.992 13.07768 31.23154 
1 1 1   10   10   46 o  137.996   12.576   42.602   6.9054   38.962   7.7884   55.980   14.931  127.198   13.102  148.795   21.471 -21.59705 25.15279 
1 1 1   10   10   47 o  134.869   19.340   49.174   11.773   44.325   16.489   54.218   16.815  127.183   28.452  142.554   26.205 -15.37038 38.68097 
1 1 1   10   10   49 o   80.286   17.308   14.041   7.9684   30.356   12.450   2.7180   10.371  105.314   25.554   55.257   23.351 50.05717 34.61644 
1 1 1   10   10   50 o   88.708   28.960   22.087   13.805   22.087   13.805   0.0000   0.0000   88.708   28.960  ?   ?       ?      ? 
1 1 1   10   10   51 o   61.145   21.627   9.0174   7.7196   9.0174   7.7196   0.0000   0.0000   61.145   21.627  ?   ?       ?      ? 
1 1 1   10   10   52 o   57.289   16.967   2.1592   7.4680   10.495   12.587  -2.3693   9.2774   68.593   26.913   45.984   20.668 22.60849 33.93384 
1 1 1   10   10   53 o   37.183   12.319  -6.2769   5.3554  -7.1172   7.2870  -5.2901   7.8972   35.363   16.718   39.003   18.099 -3.639965 24.63864 
1 1 1   10   10   54 o   69.245   15.910   11.655   5.8740   7.6180   7.3949   18.557   9.6696   57.118   21.038   81.371   23.872 -24.25270 31.81901 
1 1 1   10   10   55 o  115.082   17.245   38.059   8.9264   39.167   11.893   36.629   13.509  118.893   22.221  111.271   26.379 7.621559 34.49051 
1 1 1   10   10   56 o   61.838   16.420   9.4581   6.4265   9.8155   8.7684   9.0433   9.4464   62.240   22.911   61.436   23.527 0.8037148 32.83953 
1 1 1   10   10   57 o   59.610   14.550   7.7909   5.4129   1.3098   7.2805   15.801   8.0940   44.676   19.241   74.544   21.832 -29.86813 29.10078 
1 1 1   10   10   58 o   39.921   12.404  -3.2540   5.1921   4.8927   6.6983 -15.5175   8.2182   48.754   19.472   31.087   15.372 17.66679 24.80805 
1 1 1   10   10   59 o   53.323   14.966   6.3817   5.4695   7.0171   6.8258   5.2418   9.1424   53.385   20.104   53.261   22.176 0.1241341 29.93268 
1 1 1   10   10   60 o   48.230   13.856   4.7768   4.8168   4.4119   6.2355   5.3168   7.5851   46.400   18.697   50.060   20.455 -3.660393 27.71218 
1 1 1   10   10   61 o   65.131   16.356   13.717   6.2304   13.474   8.3756   14.018   9.3225   64.881   22.558   65.381   23.691 -0.4996719 32.71257 
1 1 1   10   10   62 o   49.357   13.971   6.2086   5.0102   8.1855   6.2757   2.7339   8.3201   53.029   19.403   45.685   20.105 7.343945 27.94136 
1 1 1   10   10   63 o   58.985   15.707   10.591   5.9186   7.0470   7.7563   15.531   9.1572   51.216   20.777   66.755   23.561 -15.53911 31.41336 
1 1 1   10   10   64 o   41.942   13.757  -0.1515   5.6948   2.5481   11.064  -1.1245   6.6422   47.238   21.743   36.645   16.860 10.59305 27.51382 
1 1 1   10   11    0 o  158.508   11.205   60.617   11.470   60.617   11.470   60.617   11.470  158.508   15.847  158.508   15.847 -0.000000 0.000000 
1 1 1   10   11    1 o  432.442   24.132  450.171   48.536  400.440   68.631  499.929   68.650  407.830   36.008  457.054   32.139 -49.22415 48.26491 
1 1 1   10   11    2 f  586.836   32.553  844.938   89.213  881.078  126.181  808.815  126.151  600.007   44.998  573.665   47.053 26.34180 65.10635 
1 1 1   10   11    3 o  359.931   28.493  340.692   42.536  247.400   73.689  387.310   52.091  316.323   49.846  403.538   27.621 -87.21405 56.98681 
1 1 1   10   11    4 f  400.450   26.135  374.499   46.675  427.668   80.956  348.024   57.126  419.530   41.290  381.370   32.051 38.15952 52.26989 
1 1 1   10   11    5 f  216.070   12.938  109.960   13.058  114.542   18.536  105.446   18.398  220.567   17.982  211.572   18.607 8.994904 25.87589 
1 1 1   10   11    6 o  943.668   58.879  2419.54  259.660  2441.52  367.232  2397.55  367.198  948.646   82.831  938.689   83.702 9.957153 117.7583 
1 1 1   10   11    7 o  493.653   28.276  591.805   65.092  548.782   92.127  634.692   91.980  475.019   41.499  512.286   38.418 -37.26703 56.55173 
1 1 1   10   11    8 o  602.814   28.511  889.388   78.242  847.821  123.756  917.068  100.986  588.188   45.020  617.439   34.997 -29.25055 57.02254 
1 1 1   10   11    9 o  420.780   31.331  454.555   56.114  493.715   68.726  376.240   97.190  453.817   32.404  387.743   53.633 66.07346 62.66201 
1 1 1   10   11   10 o  169.199   11.128   67.325   8.7976   67.521   12.320   67.122   12.567  169.461   15.556  168.936   15.918 0.5251617 22.25652 
1 1 1   10   11   11 o  575.024   31.716  814.748   85.191  842.305  120.457  787.171  120.500  585.287   44.037  564.760   45.654 20.52686 63.43185 
1 1 1   10   11   12 o  180.429   11.276   77.122   9.3724   61.660   13.136   93.156   13.377  161.764   17.375  199.093   14.376 -37.32901 22.55164 
1 1 1   10   11   13 o  335.499   26.217  297.417   36.387  212.170   62.879  340.335   44.616  292.742   45.960  378.255   25.238 -85.51358 52.43372 
1 1 1   10   11   14 f  391.764   26.122  360.986   45.664  336.147   55.949  410.543   79.028  373.982   32.011  409.547   41.289 -35.56561 52.24452 
1 1 1   10   11   15 f  203.454   12.108   99.045   11.185   71.761   15.704  127.138   15.935  174.346   19.274  232.562   14.662 -58.21658 24.21630 
1 1 1   10   11   16 o  515.689   26.817  647.868   64.621  634.981   91.362  660.770   91.415  510.345   38.305  521.032   37.541 -10.68762 53.63444 
1 1 1   10   11   17 o  358.637   20.575  315.632   33.285  407.982   47.085  223.386   47.059  413.702   24.353  303.572   33.169 110.1295 41.14957 
1 1 1   10   11   18 o  500.952   27.689  623.037   64.768  594.180   91.571  651.926   91.622  488.628   40.099  513.276   38.195 -24.64777 55.37866 
1 1 1   10   11   19 o  291.325   17.130  203.677   23.311  196.391   32.976  210.955   32.957  285.974   24.673  296.676   23.770 -10.70197 34.26048 
1 1 1   10   11   20 f  502.709   36.686  656.533   81.336  694.554  140.882  637.525   99.614  504.133   59.795  501.285   42.520 2.847565 73.37201 
1 1 1   10   11   21 o  372.390   24.685  334.375   40.878  372.957   70.897  315.161   50.032  385.215   39.381  359.564   29.774 25.65112 49.36907 
1 1 1   10   11   22 o  218.119   13.854  113.635   14.072  122.911   19.737  104.045   20.069  227.407   18.571  208.830   20.563 18.57640 27.70772 
1 1 1   10   11   23 o  195.463   17.682   90.699   16.152   90.699   16.152   0.0000   0.0000  195.463   17.682  ?   ?       ?      ? 
1 1 1   10   11   24 o  257.842   19.546  163.617   21.944  167.486   26.815  155.772   38.182  264.442   21.697  251.243   32.518 13.19907 39.09213 
1 1 1   10   11   25 o  248.541   21.805  148.197   25.328  148.197   25.328   0.0000   0.0000  248.541   21.805  ?   ?       ?      ? 
1 1 1   10   11   26 o  350.369   29.990  318.169   49.091  327.125   69.508  309.255   69.342  355.780   41.804  344.959   43.012 10.82114 59.97945 
1 1 1   10   11   27 o  234.829   22.284  151.447   19.067  163.489   22.001  115.110   38.217  261.677   17.990  207.981   40.775 53.69650 44.56768 
1 1 1   10   11   28 o  153.831   13.831   54.747   9.2712   51.256   11.095   62.827   16.878  146.680   16.185  160.982   22.433 -14.30219 27.66233 
1 1 1   10   11   29 o  144.606   19.142   61.270   11.169   73.946   13.461   33.267   20.008  176.058   16.360  113.154   34.612 62.90424 38.28401 
1 1 1   10   11   30 o  275.475   20.235  183.093   26.051  183.093   26.051   0.0000   0.0000  275.475   20.235  ?   ?       ?      ? 
1 1 1   10   11   31 o  174.846   14.925   72.775   12.196   72.775   12.196   0.0000   0.0000  174.846   14.925  ?   ?       ?      ? 
1 1 1   10   11   32 o  210.464   18.839  106.798   18.530  106.798   18.530   0.0000   0.0000  210.464   18.839  ?   ?       ?      ? 
1 1 1   10   11   33 o  214.431   17.046  113.487   16.062  113.820   19.694  112.826   27.755  216.859   19.432  212.003   28.013 4.856140 34.09282 
1 1 1   10   11   34 o  107.855   14.632   29.778   6.0935   30.595   6.9711   27.136   12.545  113.412   13.152  102.298   26.142 11.11408 29.26369 
1 1 1   10   11   35 o   63.101   13.860   6.0820   3.5884   4.0722   3.8937   17.410   9.2441   43.671   15.369   82.530   23.070 -38.85907 27.72088 
1 1 1   10   11   36 o  111.234   16.691   35.686   7.8289   41.464   9.2798   21.422   14.582  131.357   15.116   91.111   29.764 40.24603 33.38286 
1 1 1   10   11   37 o  110.583   13.541   27.695   6.1200   24.750   7.0802   36.397   12.171  101.589   14.913  119.578   22.607 -17.98955 27.08258 
1 1 1   10   11   38 o   83.695   17.415   17.697   7.2811   14.857   9.8240   21.159   10.846   77.042   24.363   90.348   24.891 -13.30651 34.82991 
1 1 1   10   11   39 o  167.627   13.679   67.473   9.1395   66.102   10.455   71.915   18.819  166.172   13.463  169.083   23.815 -2.910446 27.35719 
1 1 1   10   11   40 o   42.255   12.289   2.2603   3.4453   3.3198   3.8184  -2.3816   7.9921   41.073   15.119   43.438   19.377 -2.364372 24.57766 
1 1 1   10   11   41 o   81.132   14.604   16.770   4.8478   17.125   5.4084   15.321   10.935   84.423   13.708   77.842   25.791 6.580185 29.20789 
1 1 1   10   11   42 o  165.204   16.917   75.532   10.086   80.630   11.557   59.245   20.660  183.304   13.491  147.104   31.027 36.20015 33.83351 
1 1 1   10   11   43 o   72.254   13.144   15.584   4.7589   19.545   5.3932   1.6513   10.114   90.373   12.769   54.135   22.979 36.23739 26.28848 
1 1 1   10   11   44 f   68.468   14.592   12.118   6.1119   19.230   7.3511  -3.8046   11.000   87.032   18.635   49.904   22.460 37.12838 29.18448 
1 1 1   10   11   45 o   56.349   22.448   5.1522   8.8809   0.0000   0.0000   5.1522   8.8809  ?   ?    56.349   22.448      ?      ? 
1 1 1   10   11   46 o  141.094   14.289   47.505   8.5710   44.384   10.074   55.690   16.312  134.848   15.984  147.340   23.689 -12.49211 28.57742 
1 1 1   10   11   47 o  181.699   26.998   87.148   22.926   87.148   22.926   0.0000   0.0000  181.699   26.998  ?   ?       ?      ? 
1 1 1   10   11   48 o  140.745   28.003   54.773   17.771   0.0000   0.0000   54.773   17.771  ?   ?   140.745   28.003      ?      ? 
1 1 1   10   11   49 o   71.236   27.368   11.561   12.809   11.561   12.809   0.0000   0.0000   71.236   27.368  ?   ?       ?      ? 
1 1 1   10   11   50 o  114.986   29.308   38.190   15.796   38.190   15.796   0.0000   0.0000  114.986   29.308  ?   ?       ?      ? 
1 1 1   10   11   51 o   57.012   16.370   3.1978   7.2231  -3.7528   9.8443   11.304   10.631   45.953   20.907   68.072   25.196 -22.11983 32.74074 
1 1 1   10   11   52 o  150.370   17.002   63.130   10.891   68.689   13.757   53.796   17.825  164.704   17.872  136.035   28.928 28.66887 34.00342 
1 1 1   10   11   53 o   51.774   14.767   4.4696   5.3826   4.5306   6.8046   4.3677   8.7980   49.994   19.733   53.553   21.973 -3.558945 29.53320 
1 1 1   10   11   54 o  118.853   15.777   42.659   7.7140   49.506   9.4036   28.571   13.489  140.975   14.273   96.730   28.142 44.24478 31.55450 
1 1 1   10   11   55 o   59.007   15.621   8.3824   5.8178   9.3127   8.3304   7.4966   8.1286   60.870   22.343   57.144   21.838 3.726036 31.24294 
1 1 1   10   11   56 o   65.353   16.078   11.622   6.0176   11.581   8.5271   11.662   8.4934   65.273   22.757   65.433   22.718 -0.1601486 32.15612 
1 1 1   10   11   57 o   49.986   14.209   4.9789   5.1309   6.7358   6.4930   2.0576   8.3724   52.486   19.639   47.485   20.541 5.001633 28.41874 
1 1 1   10   11   58 o   70.216   15.911   13.502   5.7828   10.002   7.2071   19.830   9.6894   60.046   20.923   80.387   23.977 -20.34050 31.82219 
1 1 1   10   11   59 o   62.333   13.804   8.5445   5.3292  -0.5688   7.0565   20.643   8.1304   40.589   18.150   84.076   20.805 -43.48749 27.60887 
1 1 1   10   11   60 o   51.173   13.694   5.8297   5.2747   11.933   6.7480  -3.7575   8.4573   62.837   20.226   39.510   18.466 23.32696 27.38803 
1 1 1   10   11   61 o   51.831   14.067   7.3574   5.1049   10.323   6.2897   1.6331   8.7388   58.428   19.567   45.235   20.215 13.19276 28.13360 
1 1 1   10   11   62 f   54.770   13.134   5.4155   4.9767  -4.1684   6.5811   18.216   7.6058   33.898   15.983   75.641   20.846 -41.74292 26.26813 
1 1 1   10   11   63 o   43.200   13.127   0.4753   5.4303   8.7763   7.4436  -8.9689   7.9396   53.404   20.768   32.996   16.062 20.40808 26.25466 
1 1 1   10   12    0 o  400.623   33.897  400.899   86.357  400.899   86.357  400.899   86.357  400.623   47.938  400.623   47.938 -0.000000 0.000000 
1 1 1   10   12    1 o  499.394   27.186  605.050   63.339  644.888   89.581  565.221   89.570  516.460   37.114  482.328   39.735 34.13205 54.37216 
1 1 1   10   12    2 o  532.437   29.274  691.920   72.704  644.261  102.798  739.620  102.841  513.280   42.854  551.593   39.894 -38.31268 58.54866 
1 1 1   10   12    3 o  411.936   22.637  407.093   43.548  424.746   61.593  389.448   61.580  421.103   31.297  402.770   32.714 18.33286 45.27376 
1 1 1   10   12    4 o  657.108   30.297  1030.29   91.758  895.657  118.429  1232.48  145.136  605.459   41.853  708.757   43.816 -103.2984 60.59343 
1 1 1   10   12    5 o  361.886   17.505  307.098   29.149  290.024   37.613  332.771   46.122  349.847   23.005  373.925   26.392 -24.07733 35.01096 
1 1 1   10   12    6 o  463.276   22.390  506.858   47.777  469.129   61.664  563.523   75.570  442.757   29.801  483.795   33.423 -41.03738 44.77904 
1 1 1   10   12    7 o  516.552   26.351  643.339   62.486  625.995   80.684  669.333   98.774  509.564   33.880  523.540   40.369 -13.97641 52.70216 
1 1 1   10   12    8 o  587.681   39.148  891.956   91.043  909.427  105.162  839.680  181.907  612.385   36.744  562.977   69.138 49.40790 78.29545 
1 1 1   10   12    9 o  305.937   17.968  223.137   25.597  245.288   36.268  201.152   36.132  321.361   24.149  290.513   26.612 30.84753 35.93567 
1 1 1   10   12   10 o  445.724   23.403  478.615   48.728  462.280   68.939  494.923   68.884  437.883   33.687  453.565   32.496 -15.68164 46.80626 
1 1 1   10   12   11 o  493.080   26.609  591.582   61.076  532.977   86.319  650.341   86.432  467.628   39.497  518.533   35.666 -50.90506 53.21709 
1 1 1   10   12   12 o  320.514   16.917  245.902   24.989  199.106   35.266  293.093   35.414  289.152   26.097  351.876   21.535 -62.72336 33.83490 
1 1 1   10   12   13 o  244.723   14.563  141.740   16.652  138.198   23.547  145.283   23.550  241.626   20.853  247.820   20.334 -6.194290 29.12531 
1 1 1   10   12   14 o  264.366   15.912  166.083   19.657  168.705   27.740  163.439   27.858  266.507   22.272  262.225   22.731 4.281525 31.82387 
1 1 1   10   12   15 o  161.194   13.616   60.704   9.8845   58.404   12.318   64.864   16.565  157.243   16.762  165.145   21.463 -7.902420 27.23249 
1 1 1   10   12   16 o  249.942   14.451  149.156   16.779  167.864   23.754  130.526   23.705  265.919   19.114  233.964   21.679 31.95509 28.90220 
1 1 1   10   12   17 o  548.444   31.165  776.451   77.559  579.186  109.613  974.229  109.756  471.413   49.753  625.476   37.547 -154.0630 62.33086 
1 1 1   10   12   18 o  106.893   13.168   27.214   6.2388   26.081   7.8699   29.129   10.235  105.001   16.037  108.785   20.891 -3.784439 26.33673 
1 1 1   10   12   19 o  140.892   12.592   42.785   7.9018   65.374   13.825   31.826   9.6296  165.975   17.823  115.810   17.792 50.16548 25.18393 
1 1 1   10   12   20 o  212.281   18.405  115.402   15.125   96.547   30.469  121.567   17.423  197.995   32.927  226.566   16.454 -28.57161 36.80980 
1 1 1   10   12   21 o  421.897   22.805  444.846   43.549  405.452   68.817  471.158   56.243  403.060   36.533  440.734   27.305 -37.67371 45.60966 
1 1 1   10   12   22 o  261.105   12.591  161.996   15.362  165.288   21.737  158.711   21.714  263.797   17.632  258.412   17.980 5.385345 25.18236 
1 1 1   10   12   23 o  161.266   8.6782   61.290   6.5380   63.410   9.2648   59.188   9.2277  164.064   12.083  158.468   12.460 5.596191 17.35645 
1 1 1   10   12   24 o  121.708   10.187   35.062   5.7913   35.914   8.1271   34.182   8.2547  123.242   14.110  120.173   14.698 3.069298 20.37455 
1 1 1   10   12   25 o  185.378   14.711   87.143   10.531   91.289   12.092   74.126   21.424  196.544   13.165  174.212   26.313 22.33224 29.42263 
1 1 1   10   12   26 o  231.145   14.013  128.388   15.137  129.430   21.526  127.369   21.290  232.062   19.848  230.227   19.786 1.834763 28.02582 
1 1 1   10   12   27 o  317.483   19.831  250.161   29.358  231.659   41.499  268.698   41.537  305.010   29.112  329.956   26.936 -24.94537 39.66225 
1 1 1   10   12   28 o  176.776   15.046   79.230   11.191   66.534   19.912   85.093   13.531  164.459   25.907  189.094   15.311 -24.63495 30.09294 
1 1 1   10   12   29 o  176.273   13.389   73.605   10.566   70.923   13.076   78.649   17.934  172.379   16.231  180.167   21.299 -7.788147 26.77845 
1 1 1   10   12   30 o  353.137   21.144  302.736   34.896  302.736   34.896   0.0000   0.0000  353.137   21.144  ?   ?       ?      ? 
1 1 1   10   12   31 o  122.033   11.972   35.255   6.8279   35.255   6.8279   0.0000   0.0000  122.033   11.972  ?   ?       ?      ? 
1 1 1   10   12   32 o  236.898   24.124  164.128   22.051  194.042   26.997  104.183   38.218  282.474   20.450  191.322   43.700 91.15253 48.24878 
1 1 1   10   12   33 o   50.723   12.533   5.6283   3.6319   5.0745   5.6952   6.0078   4.7151   50.403   18.478   51.043   16.938 -0.6402702 25.06619 
1 1 1   10   12   34 o   97.728   9.9952   22.533   4.4842   21.277   5.7562   24.472   7.1519   94.479   13.036  100.977   15.155 -6.498039 19.99048 
1 1 1   10   12   35 o  154.637   11.713   57.959   8.4276   63.627   11.870   52.196   11.968  162.567   15.623  146.706   17.455 15.86050 23.42569 
1 1 1   10   12   36 o  227.553   13.220  126.452   13.971  141.603   19.705  111.138   19.811  241.901   17.430  213.206   19.882 28.69594 26.44062 
1 1 1   10   12   37 o  162.355   12.210   64.313   9.1575   74.733   12.903   53.739   12.999  176.210   15.668  148.499   18.730 27.71109 24.41913 
1 1 1   10   12   38 o  122.360   14.613   39.953   6.6596   42.059   7.6278   33.202   13.657  132.789   12.291  111.931   26.516 20.85853 29.22585 
1 1 1   10   12   39 o  113.944   12.248   31.026   6.5223   31.026   6.5223   0.0000   0.0000  113.944   12.248  ?   ?       ?      ? 
1 1 1   10   12   40 o  158.694   12.407   57.190   7.9453   53.208   9.0431   70.666   16.637  149.030   12.984  168.357   21.145 -19.32771 24.81326 
1 1 1   10   12   41 o  105.038   14.459   27.361   5.6505   27.030   6.3268   28.666   12.561  106.282   12.737  103.793   25.961 2.489189 28.91755 
1 1 1   10   12   42 o  179.535   15.594   81.551   10.964   82.401   12.563   78.835   22.458  184.922   14.537  174.148   27.593 10.77318 31.18826 
1 1 1   10   12   43 o  119.614   12.838   25.622   6.0330   15.561   6.7894   63.374   13.152   78.120   18.820  161.109   17.467 -82.98985 25.67626 
1 1 1   10   12   44 o   99.693   14.239   22.253   5.5191   19.795   6.1983   31.661   12.126   90.341   14.681  109.045   24.403 -18.70422 28.47869 
1 1 1   10   12   45 o  116.268   14.980   34.045   6.6875   33.596   7.6187   35.555   13.959  117.956   13.820  114.581   26.582 3.374672 29.96004 
1 1 1   10   12   46 o   72.477   15.410   13.193   4.9396   13.298   5.5124   12.768   11.129   72.342   16.650   72.612   25.937 -0.2698288 30.82100 
1 1 1   10   12   47 o   93.596   17.881   23.802   9.5088   4.5097   14.013   40.266   12.945   63.985   27.097  123.206   23.336 -59.22134 35.76109 
1 1 1   10   12   49 o   73.605   25.613   14.084   10.799   14.084   10.799   0.0000   0.0000   73.605   25.613  ?   ?       ?      ? 
1 1 1   10   12   51 o  167.065   17.249   76.153   12.280   77.539   15.188   73.536   20.868  174.467   18.627  159.662   29.036 14.80544 34.49707 
1 1 1   10   12   52 o   96.413   17.762   25.635   7.6807   24.369   9.2720   28.404   13.711   94.819   21.428   98.006   28.333 -3.186432 35.52375 
1 1 1   10   12   53 f   70.854   16.326   14.033   5.8658   15.004   6.6783   10.754   12.271   74.594   19.080   67.114   26.497 7.479904 32.65149 
1 1 1   10   12   54 o   44.864   14.085  -2.9704   6.4796   4.3149   8.2258 -14.8820   10.518   51.670   21.229   38.058   18.518 13.61292 28.17037 
1 1 1   10   12   55 o   72.010   17.213   13.449   7.0730   7.6906   9.2293   21.644   11.010   58.663   23.037   85.358   25.581 -26.69596 34.42505 
1 1 1   10   12   56 o   49.331   14.917   1.9557   6.2598  -2.2706   8.6344   6.6382   9.0885   42.963   19.560   55.699   22.527 -12.73611 29.83366 
1 1 1   10   12   57 o   40.101   12.760  -0.9016   4.9035   0.5099   6.0415  -3.6265   8.3940   39.646   17.297   40.557   18.764 -0.9114075 25.51982 
1 1 1   10   12   58 o   87.308   15.719   21.668   6.1466   19.648   7.5007   25.798   10.725   83.316   19.592   91.300   24.587 -7.984116 31.43843 
1 1 1   10   12   59 o   44.650   13.767   1.8930   5.3178   3.8794   8.3418   0.5331   6.9022   48.334   20.701   40.966   18.156 7.367485 27.53490 
1 1 1   10   12   60 o   51.635   14.755   6.0889   5.7149   1.7354   7.9214   10.814   8.2528   44.140   19.512   59.130   22.138 -14.98965 29.50928 
1 1 1   10   12   61 o   71.525   16.733   17.914   6.5202   18.535   8.4527   17.001   10.246   74.528   22.432   68.522   24.835 6.006470 33.46585 
1 1 1   10   12   62 f   34.087   11.864  -9.0312   5.4921  -9.4338   10.988  -8.8971   6.3411   39.210   19.043   28.965   14.156 10.24434 23.72807 
1 1 1   10   12   63 o   37.714   17.459  -1.2230   7.2846  -1.2230   7.2846   0.0000   0.0000   37.714   17.459  ?   ?       ?      ? 
1 1 1   10   13    0 o  698.198   36.498  1199.15  166.310  1199.15  166.310  1199.15  166.310  698.198   51.616  698.198   51.616 -0.000000 0.000000 
1 1 1   10   13    1 f  219.310   13.368  113.545   13.697  116.526   19.336  110.542   19.406  222.233   18.617  216.386   19.189 5.846725 26.73615 
1 1 1   10   13    2 o  207.486   19.488  106.094   17.718  138.171   25.139   74.431   24.976  241.497   22.274  173.474   31.985 68.02290 38.97685 
1 1 1   10   13    3 o  184.277   11.836   80.376   10.118   91.360   14.288   69.327   14.330  197.071   15.513  171.484   17.880 25.58748 23.67209 
1 1 1   10   13    4 o  584.710   26.409  837.544   70.958  1007.52  100.395  667.874  100.305  646.846   33.210  522.575   41.071 124.2713 52.81761 
1 1 1   10   13    5 o  292.323   16.924  206.720   22.398  148.418   31.619  265.436   31.731  249.504   27.117  335.142   20.259 -85.63826 33.84867 
1 1 1   10   13    6 o  513.122   26.962  641.413   63.211  632.971   99.977  647.036   81.588  508.125   42.101  518.119   33.694 -9.994171 53.92351 
1 1 1   10   13    7 o  324.853   15.730  245.889   23.530  273.770   37.272  227.414   30.341  339.654   23.480  310.052   20.939 29.60217 31.46037 
1 1 1   10   13    8 o  200.509   10.619   93.632   9.7857   99.558   15.496   89.700   12.621  205.634   16.124  195.383   13.821 10.25150 21.23713 
1 1 1   10   13    9 o  433.228   25.673  456.733   51.922  480.986   73.463  432.524   73.395  445.188   35.309  421.269   37.279 23.91888 51.34601 
1 1 1   10   13   10 o  275.542   32.390  183.677   41.710  183.677   41.710   0.0000   0.0000  275.542   32.390  ?   ?       ?      ? 
1 1 1   10   13   11 o  438.652   24.210  471.074   49.312  412.148   69.744  529.977   69.731  409.912   36.406  467.392   31.923 -57.48022 48.41965 
1 1 1   10   13   12 o  284.227   15.876  192.916   21.052  206.136   29.804  179.754   29.739  294.151   21.680  274.303   23.198 19.84833 31.75192 
1 1 1   10   13   13 o  336.293   19.291  272.704   29.708  275.224   46.984  271.026   38.347  336.500   29.876  336.086   24.414 0.4137573 38.58252 
1 1 1   10   13   14 o  292.621   16.052  204.074   21.538  209.257   34.077  200.626   27.792  295.065   24.711  290.177   20.494 4.887726 32.10366 
1 1 1   10   13   15 o   63.057   11.367   9.7548   3.2804   9.5707   5.4189   9.8612   4.1213   62.694   17.712   63.420   14.252 -0.7264023 22.73421 
1 1 1   10   13   16 o  120.310   12.460   33.745   6.8316   31.822   8.6412   36.951   11.156  115.979   15.942  124.640   19.153 -8.660423 24.91935 
1 1 1   10   13   17 o   72.968   11.618   12.785   3.5707   13.642   6.7193   12.447   4.2152   74.347   19.203   71.589   13.081 2.758347 23.23516 
1 1 1   10   13   18 o  350.738   20.151  308.660   31.598  258.980   50.009  341.673   40.766  324.135   33.013  377.340   23.117 -53.20526 40.30155 
1 1 1   10   13   19 f  109.096   13.091   27.498   6.1866   32.741   10.908   25.011   7.5118  115.381   21.002  102.811   15.634 12.57036 26.18174 
1 1 1   10   13   20 o  198.158   12.753   84.253   10.577  114.638   21.335   74.354   12.178  218.958   20.850  177.358   14.692 41.60074 25.50627 
1 1 1   10   13   21 o  175.635   11.747   73.772   9.4831   90.030   13.530   58.072   13.295  195.078   14.840  156.191   18.214 38.88712 23.49436 
1 1 1   10   13   22 o  298.026   13.749  212.418   19.128  200.781   27.039  224.077   27.064  289.666   19.973  306.385   18.901 -16.71954 27.49834 
1 1 1   10   13   23 o  105.533   8.6196   26.530   4.2029   30.542   5.8764   22.328   6.0135  113.871   11.042   97.195   13.239 16.67654 17.23915 
1 1 1   10   13   24 o  177.649   11.442   62.030   8.3461   49.739   9.4428  105.914   17.842  144.883   13.946  210.415   18.144 -65.53130 22.88433 
1 1 1   10   13   25 o  186.960   16.468   84.456   13.573   87.037   23.559   83.174   16.606  187.853   26.835  186.067   19.096 1.786102 32.93600 
1 1 1   10   13   26 o  314.733   23.918  246.818   33.367  269.879   57.880  235.338   40.836  321.682   38.500  307.784   28.390 13.89777 47.83502 
1 1 1   10   13   27 o  119.086   11.592   33.242   6.2781   31.338   7.9134   36.477   10.313  114.807   14.749  123.366   17.887 -8.559608 23.18349 
1 1 1   10   13   28 o  130.635   10.564   42.279   5.6377   44.263   6.6347   37.124   10.693  137.006   10.362  124.264   18.413 12.74181 21.12863 
1 1 1   10   13   29 o  188.416   14.485   84.522   12.755   84.522   12.755   0.0000   0.0000  188.416   14.485  ?   ?       ?      ? 
1 1 1   10   13   30 o  152.348   17.826   67.127   10.683   81.819   13.100   37.967   18.456  185.125   15.142  119.570   32.276 65.55547 35.65153 
1 1 1   10   13   31 o  175.286   17.436   80.468   12.535   86.568   15.261   67.821   21.973  189.618   17.222  160.953   30.324 28.66562 34.87281 
1 1 1   10   13   32 o  286.980   17.428  205.909   23.321  191.283   33.041  220.428   32.921  276.079   25.608  297.882   23.648 -21.80240 34.85686 
1 1 1   10   13   33 o  112.605   13.602   29.343   6.4413   37.022   12.117   26.318   7.6049  120.628   22.315  104.582   15.559 16.04531 27.20357 
1 1 1   10   13   34 o   88.433   10.942   19.276   4.3762   22.041   6.1093   16.362   6.2718   96.042   13.611   80.824   17.136 15.21745 21.88348 
1 1 1   10   13   35 o  126.032   10.686   37.945   6.2545   32.413   8.5709   44.247   9.1475  116.093   15.797  135.969   14.395 -19.87616 21.37217 
1 1 1   10   13   36 o  116.484   14.605   34.440   7.2023   32.477   12.589   35.396   8.7815  111.727   24.760  121.241   15.498 -9.513969 29.21010 
1 1 1   10   13   37 o   54.625   11.740   6.6577   3.2707   4.3786   4.1497   10.396   5.3143   45.013   15.864   64.238   17.311 -19.22541 23.47997 
1 1 1   10   13   38 o  187.950   14.557   86.189   11.969   83.110   14.480   92.830   21.265  184.669   16.778  191.231   23.794 -6.562439 29.11427 
1 1 1   10   13   39 o   98.981   13.751   22.326   5.1827   20.638   5.7986   29.029   11.556   92.753   13.377  105.208   24.029 -12.45494 27.50179 
1 1 1   10   13   40 o  117.597   9.9925   33.692   5.3341   35.269   6.8817   31.319   8.4425  121.536   12.116  113.658   15.894 7.878716 19.98498 
1 1 1   10   13   41 o  120.370   12.123   35.446   6.5159   45.852   9.6635   26.770   8.8234  137.820   15.003  102.921   19.045 34.89932 24.24504 
1 1 1   10   13   42 o  112.233   10.068   30.373   5.1878   30.596   6.7556   30.052   8.0989  113.056   12.786  111.411   15.554 1.645042 20.13507 
1 1 1   10   13   43 o   42.062   11.746   2.5480   3.4960   4.3216   4.4316  -0.3746   5.6888   45.249   16.343   38.876   16.875 6.372955 23.49171 
1 1 1   10   13   44 o   94.919   12.372   25.767   4.9761   33.864   6.3440   12.818   8.0224  119.052   11.402   70.787   21.961 48.26479 24.74468 
1 1 1   10   13   45 o   84.599   18.371   17.871   8.1797   27.184   12.618   11.119   10.743   99.898   26.565   69.299   25.382 30.59933 36.74213 
1 1 1   10   13   46 o   91.098   19.426   22.461   9.1646   29.937   13.474   16.024   12.502  103.660   27.398   78.536   27.546 25.12461 38.85151 
1 1 1   10   13   47 o   93.393   27.166   24.401   12.570   24.401   12.570   0.0000   0.0000   93.393   27.166  ?   ?       ?      ? 
1 1 1   10   13   48 o  225.244   21.992  131.590   23.151  131.590   23.151   0.0000   0.0000  225.244   21.992  ?   ?       ?      ? 
1 1 1   10   13   49 o   93.543   28.925   25.412   13.930   25.412   13.930   0.0000   0.0000   93.543   28.925  ?   ?       ?      ? 
1 1 1   10   13   50 o   62.330   17.887   6.3581   8.6568  -4.5680   14.556   12.337   10.768   54.950   25.162   69.710   25.430 -14.75930 35.77454 
1 1 1   10   13   51 o   60.161   17.542   5.5189   8.3291  -4.6101   14.483   10.524   10.181   54.541   25.020   65.782   24.596 -11.24068 35.08499 
1 1 1   10   13   52 o   38.634   13.066  -8.7207   5.8494  -9.9212   6.9562  -5.8229   10.808   31.684   15.332   45.585   21.161 -13.90045 26.13136 
1 1 1   10   13   53 o   74.881   17.236   13.574   6.7897   8.1019   8.2449   25.105   11.968   58.353   22.067   91.410   26.484 -33.05703 34.47269 
1 1 1   10   13   54 o   85.921   15.825   23.423   7.3705   30.696   8.8526   6.9914   13.306  109.157   17.353   62.686   26.468 46.47121 31.64962 
1 1 1   10   13   55 o  110.721   17.082   36.064   7.8398   36.285   9.1404   35.448   15.248  118.235   16.542  103.207   29.892 15.02851 34.16328 
1 1 1   10   13   56 o   64.509   15.900   12.324   5.7069   13.527   6.4898   8.2215   11.985   68.927   19.352   60.091   25.233 8.836304 31.79934 
1 1 1   10   13   57 o   68.576   16.137   12.583   5.6223   10.284   6.6680   18.237   10.458   60.719   20.142   76.434   25.218 -15.71546 32.27432 
1 1 1   10   13   58 o   68.361   15.928   11.978   5.6791   7.0675   6.7541   23.827   10.492   52.041   19.902   84.680   24.873 -32.63898 31.85515 
1 1 1   10   13   59 o   53.214   15.569   5.9847   5.4413   4.2781   6.1892   11.794   11.419   45.255   18.483   61.173   25.058 -15.91822 31.13712 
1 1 1   10   13   60 f   29.227   10.236 -12.3472   5.0769  -6.9185   5.8303 -29.3749   10.326   29.149   14.089   29.305   14.854 -0.1562443 20.47263 
1 1 1   10   13   61 o   51.312   14.884   6.1669   6.3597   11.757   8.0184  -3.3131   10.442   59.942   21.933   42.682   20.127 17.25977 29.76819 
1 1 1   10   13   62 o   43.035   13.507   1.8938   5.4213  -1.3052   7.1750   6.1500   8.2761   37.499   17.348   48.572   20.706 -11.07273 27.01310 
1 1 1   10   14    0 o  335.506   19.103  271.364   41.730  271.364   41.730  271.364   41.730  335.506   27.016  335.506   27.016 -0.000000 0.000000 
1 1 1   10   14    1 o  161.342   11.118   61.525   8.3508   67.551   11.788   55.452   11.832  169.367   14.892  153.316   16.513 16.05075 22.23654 
1 1 1   10   14    2 o  278.345   22.150  202.920   25.647  147.764   44.292  230.743   31.458  245.029   38.678  311.661   21.597 -66.63295 44.29932 
1 1 1   10   14    3 o  138.820   10.248   45.351   6.6467   44.387   9.2594   46.376   9.5469  137.303   14.430  140.336   14.556 -3.033020 20.49649 
1 1 1   10   14    4 o  291.336   16.350  202.457   22.235  191.040   31.419  213.912   31.470  282.941   23.760  299.730   22.466 -16.78854 32.70001 
1 1 1   10   14    5 o  352.856   23.629  295.063   37.150  332.880   64.371  276.175   45.491  367.399   37.489  338.313   28.772 29.08545 47.25744 
1 1 1   10   14    6 o  258.411   14.791  165.717   16.968  131.517   26.820  188.542   21.911  234.366   24.486  282.456   16.599 -48.09000 29.58205 
1 1 1   10   14    7 o  239.035   12.815  137.040   13.913  127.906   22.047  143.084   17.935  231.902   20.343  246.167   15.590 -14.26459 25.62926 
1 1 1   10   14    8 o  263.888   15.745  156.801   17.173  187.373   34.528  146.752   19.796  278.792   26.500  248.984   17.012 29.80737 31.49074 
1 1 1   10   14    9 o  408.716   30.893  446.369   48.805  379.872   97.644  468.513   56.348  377.255   55.382  440.178   27.391 -62.92255 61.78558 
1 1 1   10   14   10 o  171.385   14.558   72.521   10.798   62.831   18.529   77.504   13.288  161.700   24.518  181.069   15.703 -19.36932 29.11586 
1 1 1   10   14   11 o  367.659   31.180  345.941   53.374  377.312   75.448  314.514   75.516  385.948   41.829  349.370   46.250 36.57822 62.35936 
1 1 1   10   14   12 o  318.780   25.415  270.713   33.720  203.770   58.463  304.088   41.279  282.119   44.341  355.441   24.850 -73.32205 50.82915 
1 1 1   10   14   13 o  285.254   18.652  182.676   23.873  251.859   41.474  148.395   29.195  322.345   27.530  248.163   25.172 74.18248 37.30378 
1 1 1   10   14   14 o  208.371   13.501  105.779   12.614   71.914   17.778  140.116   17.901  173.365   21.942  243.377   15.739 -70.01132 27.00262 
1 1 1   10   14   15 o  110.673   13.464   29.670   6.3903   29.537   11.046   29.737   7.8343  109.168   22.402  112.177   14.943 -3.009720 26.92864 
1 1 1   10   14   16 o  326.255   17.544  261.252   25.879  235.778   40.968  278.166   33.383  311.332   28.156  341.178   20.936 -29.84515 35.08710 
1 1 1   10   14   17 o  166.061   11.697   65.572   9.0398   58.944   12.816   72.135   12.753  157.557   17.405  174.565   15.631 -17.00800 23.39392 
1 1 1   10   14   18 o  330.981   17.944  232.681   25.042  346.240   50.385  195.427   28.859  376.455   28.638  285.508   21.628 90.94681 35.88786 
1 1 1   10   14   19 o  163.570   15.475   63.397   11.830   0.0000   0.0000   63.397   11.830  ?   ?   163.570   15.475      ?      ? 
1 1 1   10   14   20 o   95.302   11.575   22.109   4.8583   21.234   7.8709   22.649   6.1751   92.712   18.809   97.892   13.498 -5.180374 23.15051 
1 1 1   10   14   21 o  197.131   12.637   92.874   11.628   88.123   16.514   97.544   16.375  192.001   18.404  202.262   17.323 -10.26144 25.27430 
1 1 1   10   14   22 o  166.836   13.013   67.868   9.8990   83.230   13.855   51.850   14.148  187.000   15.854  146.673   20.640 40.32790 26.02559 
1 1 1   10   14   23 o  156.802   9.9446   57.553   7.1656   62.528   11.393   54.297   9.2167  162.164   15.033  151.441   13.022 10.72331 19.88911 
1 1 1   10   14   24 o  176.698   11.075   74.325   9.0644   61.858   12.537   87.980   13.121  160.958   16.667  192.438   14.589 -31.48058 22.14976 
1 1 1   10   14   25 o  174.018   14.460   73.809   11.103   75.299   13.717   70.978   18.906  177.570   16.529  170.467   23.731 7.103165 28.92017 
1 1 1   10   14   26 o  122.001   11.654   35.181   6.6446   35.181   6.6446   0.0000   0.0000  122.001   11.654  ?   ?       ?      ? 
1 1 1   10   14   27 o  133.174   13.689   46.109   7.6736   53.660   9.7954   34.113   12.346  150.234   13.951  116.115   23.556 34.11969 27.37757 
1 1 1   10   14   28 o  124.067   10.885   30.567   5.5273   24.896   6.2464   51.034   11.866  102.406   13.051  145.728   17.423 -43.32198 21.76938 
1 1 1   10   14   29 o  123.189   14.186   40.770   6.3197   43.412   7.1911   31.808   13.245  135.428   11.362  110.949   25.999 24.47897 28.37270 
1 1 1   10   14   30 o   43.026   12.737   1.1499   4.2683   3.7844   4.8876  -7.3141   8.7609   45.338   17.024   40.714   18.950 4.624092 25.47418 
1 1 1   10   14   31 o  116.769   10.907   32.708   5.9452   33.969   8.6654   31.587   8.1719  118.854   15.600  114.683   15.247 4.171059 21.81366 
1 1 1   10   14   32 o  251.723   24.957  171.634   29.092  149.984   41.436  192.680   40.854  233.307   38.002  270.139   32.360 -36.83240 49.91330 
1 1 1   10   14   33 o  255.461   13.129  155.841   15.448  142.999   19.921  175.211   24.466  243.031   17.539  267.891   19.542 -24.85988 26.25838 
1 1 1   10   14   34 o  158.641   20.269   77.223   12.762   94.400   15.423   39.914   22.729  197.700   16.692  119.582   36.943 78.11845 40.53887 
1 1 1   10   14   35 o  258.590   14.890  165.570   17.995  165.863   25.426  165.275   25.471  258.847   21.018  258.334   21.097 0.5130310 29.77980 
1 1 1   10   14   36 o  127.038   10.604   38.842   6.2720   34.435   8.6285   43.779   9.1328  119.289   15.477  134.788   14.498 -15.49827 21.20712 
1 1 1   10   14   37 o  195.759   10.751   91.425   9.6827   85.893   12.484   99.779   15.339  188.875   14.143  202.643   16.197 -13.76759 21.50271 
1 1 1   10   14   38 o  117.421   9.6497   31.379   5.0893   21.502   6.4914   47.136   8.1988   94.426   14.710  140.416   12.494 -45.98976 19.29931 
1 1 1   10   14   39 o  230.714   13.965  130.163   14.812  123.887   19.115  139.596   23.434  224.785   18.195  236.642   21.189 -11.85641 27.92923 
1 1 1   10   14   40 o  113.198   16.771   35.766   7.9005   26.209   14.786   39.585   9.3468   98.492   29.673  127.904   15.636 -29.41134 33.54118 
1 1 1   10   14   41 o  140.492   10.199   46.646   6.5934   42.405   8.4761   53.144   10.492  132.798   13.657  148.185   15.150 -15.38741 20.39710 
1 1 1   10   14   42 o  218.430   13.793  119.255   14.072  115.345   19.978  123.104   19.823  214.572   19.922  222.290   19.082 -7.717941 27.58651 
1 1 1   10   14   43 o  112.953   11.553   31.019   6.0659   35.773   8.8907   26.878   8.2970  121.202   15.696  104.704   16.956 16.49769 23.10533 
1 1 1   10   14   44 o   65.522   17.218   6.4709   7.8455   17.801   11.463  -3.5134   10.761   81.905   26.362   49.138   22.156 32.76701 34.43609 
1 1 1   10   14   45 o   71.961   18.111   12.862   7.6680   11.977   10.689   13.801   11.007   70.197   25.378   73.724   25.847 -3.526466 36.22271 
1 1 1   10   14   46 o  108.676   16.996   29.329   8.6323   29.329   8.6323   0.0000   0.0000  108.676   16.996  ?   ?       ?      ? 
1 1 1   10   14   47 o   40.010   16.845   1.0367   5.3642   1.0367   5.3642   0.0000   0.0000   40.010   16.845  ?   ?       ?      ? 
1 1 1   10   14   48 o   43.398   13.840  -6.9807   6.2203 -14.8025   8.1855   3.7097   9.5695   32.347   15.866   54.448   22.681 -22.10076 27.67937 
1 1 1   10   14   49 o  152.198   17.120   59.741   10.930   71.355   20.252   54.968   12.983  157.719   28.525  146.677   18.940 11.04225 34.24050 
1 1 1   10   14   50 o   86.433   27.612   21.674   12.594   0.0000   0.0000   21.674   12.594  ?   ?    86.433   27.612      ?      ? 
1 1 1   10   14   51 o   67.483   17.539   1.3955   8.6879   27.979   14.342 -14.0135   10.919   95.206   29.335   39.760   19.233 55.44589 35.07746 
1 1 1   10   14   52 o   49.371   14.922   2.0696   5.2049   1.0997   5.9141   5.4020   10.962   41.074   17.507   57.668   24.169 -16.59405 29.84346 
1 1 1   10   14   53 o   63.577   17.356   8.4697   7.4115   3.3756   9.6236   15.895   11.619   52.775   22.409   74.379   26.509 -21.60430 34.71130 
1 1 1   10   14   54 o   85.614   17.518   20.842   6.9025   18.691   8.1744   26.187   12.885   80.834   21.329   90.394   27.797 -9.559830 35.03657 
1 1 1   10   14   55 o   75.926   15.995   18.409   6.5222   22.572   8.1013   10.739   10.995   89.019   19.965   62.833   24.994 26.18579 31.98925 
1 1 1   10   14   56 o   73.635   16.810   16.516   7.2447   23.361   9.6716   7.7663   10.935   88.306   23.152   58.963   24.377 29.34298 33.61905 
1 1 1   10   14   57 o   76.647   16.868   19.973   6.8923   22.317   8.2834   14.698   12.426   86.391   20.772   66.902   26.583 19.48949 33.73639 
1 1 1   10   14   58 o   43.785   17.964   3.7484   5.8799   3.7484   5.8799   0.0000   0.0000   43.785   17.964  ?   ?       ?      ? 
1 1 1   10   14   59 o   45.421   13.708   3.0130   5.5756   7.2503   6.5995  -7.5544   10.422   51.054   19.638   39.788   19.132 11.26603 27.41656 
1 1 1   10   14   60 o   49.713   14.840   5.8412   5.8806   7.4582   7.0643   2.1918   10.613   51.499   20.175   47.927   21.768 3.572212 29.67944 
1 1 1   10   14   61 o   49.616   15.034   5.9707   5.6435   4.7145   6.5896   9.4274   10.931   44.893   18.771   54.339   23.489 -9.445927 30.06809 
1 1 1   10   15    0 o  367.668   19.661  326.944   47.149  326.944   47.149  326.944   47.149  367.668   27.805  367.668   27.805 -0.000000 0.000000 
1 1 1   10   15    1 o  335.868   19.057  273.219   29.819  248.731   42.136  297.785   42.204  320.252   28.153  351.484   25.692 -31.23236 38.11384 
1 1 1   10   15    2 o   75.712   11.332   14.035   3.8911   11.566   5.3942   16.714   5.6183   68.546   16.937   82.878   15.060 -14.33180 22.66397 
1 1 1   10   15    3 o   73.211   11.005   13.052   3.7289   16.254   5.2643   9.8283   5.2826   83.035   13.565   63.387   17.334 19.64827 22.01080 
1 1 1   10   15    4 o  231.193   13.928  127.664   14.953  110.915   21.076  144.637   21.217  215.602   20.917  246.784   18.396 -31.18184 27.85536 
1 1 1   10   15    5 o  267.102   15.624  170.739   19.488  162.968   27.549  178.521   27.570  260.875   22.596  273.329   21.583 -12.45416 31.24739 
1 1 1   10   15    6 o  330.552   18.001  272.188   26.590  226.491   42.061  302.610   34.318  304.917   29.516  356.188   20.616 -51.27127 36.00267 
1 1 1   10   15    7 o  226.016   12.159  121.871   12.528  117.430   19.846  124.814   16.153  222.190   19.112  229.841   15.038 -7.650925 24.31843 
1 1 1   10   15    8 o  151.276   14.603   57.974   8.3076   50.401   16.840   60.410   9.5507  142.408   26.271  160.144   12.761 -17.73550 29.20592 
1 1 1   10   15    9 o  263.428   15.021  155.846   16.356  187.686   32.932  145.420   18.844  279.019   25.255  247.838   16.269 31.18097 30.04137 
1 1 1   10   15   10 o  109.159   13.186   30.445   5.4612   25.878   11.079   31.910   6.2768  101.848   23.718  116.470   11.531 -14.62244 26.37234 
1 1 1   10   15   11 o  246.757   17.662  153.703   17.090  133.473   34.204  160.433   19.729  233.225   31.380  260.288   16.218 -27.06288 35.32359 
1 1 1   10   15   12 o  321.380   28.492  291.547   35.589  193.067   61.648  340.773   43.585  266.823   51.300  375.937   24.808 -109.1134 56.98349 
1 1 1   10   15   13 o  332.280   31.469  292.122   45.588  377.513   64.455  206.649   64.486  389.192   35.437  275.367   52.015 113.8254 62.93882 
1 1 1   10   15   14 o  354.554   26.289  316.705   40.786  312.455   70.720  318.823   49.926  348.229   43.454  360.879   29.602 -12.64996 52.57889 
1 1 1   10   15   15 o  309.800   37.252  241.898   53.935   0.0000   0.0000  241.898   53.935  ?   ?   309.800   37.252      ?      ? 
1 1 1   10   15   16 o  213.774   21.399  109.692   21.379   0.0000   0.0000  109.692   21.379  ?   ?   213.774   21.399      ?      ? 
1 1 1   10   15   17 o  214.855   17.554  109.966   17.627   0.0000   0.0000  109.966   17.627  ?   ?   214.855   17.554      ?      ? 
1 1 1   10   15   18 o  460.426   27.042  519.543   51.012  598.479  102.131  493.305   58.883  473.189   46.183  447.662   28.145 25.52737 54.08306 
1 1 1   10   15   19 o  131.405   11.117   41.082   6.8185   43.816   9.7063   38.418   9.5805  135.785   15.295  127.025   16.138 8.760208 22.23478 
1 1 1   10   15   20 o  275.736   20.409  187.388   24.705  193.799   43.171  184.266   30.125  276.391   33.422  275.081   23.433 1.310272 40.81814 
1 1 1   10   15   21 o  203.757   14.373   93.729   13.022  121.738   23.152   80.766   15.750  224.005   22.115  183.508   18.365 40.49663 28.74562 
1 1 1   10   15   22 o  263.145   16.135  168.462   19.843  170.139   28.196  166.816   27.930  264.445   22.814  261.846   22.824 2.599182 32.27100 
1 1 1   10   15   23 o  279.977   15.496  191.335   20.120  165.988   28.580  216.238   28.328  260.728   23.455  299.227   20.257 -38.49857 30.99170 
1 1 1   10   15   24 o  179.411   14.348   79.279   10.382   80.788   12.056   74.948   20.424  184.388   13.990  174.433   25.053 9.955276 28.69507 
1 1 1   10   15   25 f  150.164   14.561   58.195   8.3924   61.233   9.7726   49.659   16.380  160.654   13.016  139.673   26.052 20.98093 29.12209 
1 1 1   10   15   26 o  209.856   12.710   98.972   11.027   91.587   12.691  121.710   22.270  196.217   13.840  223.495   21.321 -27.27885 25.41900 
1 1 1   10   15   27 o  201.033   14.321   96.382   13.455   96.382   13.455   0.0000   0.0000  201.033   14.321  ?   ?       ?      ? 
1 1 1   10   15   28 o  358.675   25.348  326.790   37.069  310.139   42.759  377.167   74.373  351.564   26.024  365.787   43.506 -14.22308 50.69537 
1 1 1   10   15   29 o   64.387   14.329   10.427   4.7849   12.081   5.7543   6.7195   8.6143   69.326   17.699   59.448   22.538 9.878044 28.65721 
1 1 1   10   15   30 o   87.559   17.227   20.004   7.5013   24.986   10.287   14.346   10.961   98.482   22.801   76.637   25.830 21.84584 34.45440 
1 1 1   10   15   31 o  178.154   15.883   79.431   12.244   81.029   14.887   76.089   21.526  182.960   17.410  173.348   26.571 9.611908 31.76668 
1 1 1   10   15   32 o  181.527   16.629   89.849   10.824   95.947   12.376   70.003   22.328  200.581   13.202  162.473   30.526 38.10826 33.25815 
1 1 1   10   15   33 o  181.189   11.643   79.366   9.8484   74.446   13.762   84.531   14.100  175.312   16.797  187.067   16.128 -11.75520 23.28591 
1 1 1   10   15   34 o  105.290   14.337   26.211   6.4746   35.104   11.513   22.097   7.8302  117.073   21.845   93.507   18.573 23.56584 28.67317 
1 1 1   10   15   35 o  151.943   16.285   62.063   10.052   50.601   17.690   67.527   12.215  136.983   28.558  166.902   15.660 -29.91907 32.56999 
1 1 1   10   15   36 o  191.839   12.253   92.021   10.578  100.092   13.675   79.996   16.692  203.860   14.354  179.818   19.862 24.04253 24.50566 
1 1 1   10   15   37 o  150.886   10.277   55.098   7.0576   55.960   9.0611   53.770   11.253  152.940   12.677  148.833   16.178 4.106812 20.55356 
1 1 1   10   15   38 o  110.802   9.8939   29.746   5.0038   30.684   6.4857   28.366   7.8650  113.342   12.244  108.261   15.545 5.080467 19.78774 
1 1 1   10   15   39 o   49.400   11.054   5.6071   3.2628   9.2203   4.1954   0.0770   5.1904   60.672   14.904   38.127   16.329 22.54521 22.10809 
1 1 1   10   15   40 o   65.449   13.404   10.981   4.4620   7.6286   6.6365   13.747   6.0278   57.513   20.075   73.385   17.766 -15.87244 26.80743 
1 1 1   10   15   41 o   72.437   16.130   13.737   5.9477   15.016   7.1033   10.738   10.879   76.121   19.785   68.754   25.480 7.366806 32.25962 
1 1 1   10   15   42 o  166.310   18.601   77.991   12.452   87.156   15.195   59.245   21.730  188.373   17.260  144.247   32.955 44.12608 37.20137 
1 1 1   10   15   43 o   38.390   13.010 -10.9488   6.3923 -10.8231   10.494 -11.0229   8.0602   41.923   19.890   34.857   16.777 7.066086 26.02060 
1 1 1   10   15   44 o  109.654   15.921   30.879   7.3357   29.928   8.6833   33.252   13.710  109.946   16.899  109.362   26.988 0.5838242 31.84246 
1 1 1   10   15   45 o  120.960   14.399   36.928   7.4750   35.321   9.1052   40.250   13.092  119.505   16.303  122.414   23.740 -2.909081 28.79880 
1 1 1   10   15   46 o   61.924   23.303   8.5701   9.1671   8.5701   9.1671   0.0000   0.0000   61.924   23.303  ?   ?       ?      ? 
1 1 1   10   15   47 o   69.113   15.883   9.7494   5.2129   6.7074   5.9335   20.041   10.914   53.542   18.958   84.685   25.489 -31.14238 31.76676 
1 1 1   10   15   48 o  127.606   17.458   49.359   9.6389   61.801   12.253   29.162   15.612  156.980   16.702   98.231   30.662 58.74838 34.91597 
1 1 1   10   15   49 f  113.902   29.005   38.584   15.481   0.0000   0.0000   38.584   15.481  ?   ?   113.902   29.005      ?      ? 
1 1 1   10   15   50 o  148.771   12.876   57.390   8.8438   47.675   12.422   67.377   12.594  134.708   19.730  162.833   16.550 -28.12450 25.75245 
1 1 1   10   15   51 o   87.095   15.276   21.049   6.1493   22.505   9.3357   19.933   8.1727   89.282   22.409   84.908   20.767 4.374496 30.55213 
1 1 1   10   15   52 o   52.798   15.142   5.0316   5.4528   4.9969   6.4821   5.1155   10.084   49.692   19.365   55.903   23.285 -6.210716 30.28491 
1 1 1   10   15   53 o   70.818   15.581   15.397   5.9139   18.064   6.8949   7.9725   11.503   81.103   18.588   60.534   25.012 20.56894 31.16299 
1 1 1   10   15   54 o   89.727   13.547   21.490   5.6700   13.681   7.3792   32.746   8.8593   68.468   21.033  110.986   17.080 -42.51826 27.09429 
1 1 1   10   15   55 o   56.957   13.619   6.3125   4.6396   0.7937   5.8050   16.071   7.7194   39.587   17.115   74.328   21.190 -34.74074 27.23811 
1 1 1   10   15   56 o   70.959   16.026   16.412   5.9443   17.674   6.8464   12.547   11.981   78.081   18.953   63.836   25.848 14.24564 32.05186 
1 1 1   10   15   57 o   54.210   15.530   6.7750   6.7996   13.109   8.7920  -2.6527   10.726   63.750   23.021   44.670   20.851 19.07987 31.05985 
1 1 1   10   15   58 o   56.597   15.551   9.9169   6.1584   12.491   7.4359   4.2949   10.989   62.383   21.274   50.810   22.690 11.57271 31.10283 
1 1 1   10   15   59 o   46.994   14.057  -4.2880   5.4172 -12.3018   6.3842   16.321   10.238   26.890   13.341   67.097   24.748 -40.20659 28.11445 
1 1 1   10   15   60 o   47.097   14.271   0.6136   5.2670  -4.7391   6.1721   14.955   10.103   31.660   15.087   62.535   24.229 -30.87522 28.54263 
1 1 1   10   16    0 o  586.818   33.248  864.006  127.048  864.006  127.048  864.006  127.048  586.818   47.020  586.818   47.020 -0.000000 0.000000 
1 1 1   10   16    1 o  143.098   10.474   48.488   6.9823   52.796   9.8633   44.161   9.8857  149.556   14.112  136.641   15.481 12.91496 20.94720 
1 1 1   10   16    2 o  224.743   18.476  120.083   19.406   0.0000   0.0000  120.083   19.406  ?   ?   224.743   18.476      ?      ? 
1 1 1   10   16    3 o  118.960   13.164   34.845   6.6950   32.028   11.335   36.355   8.2970  113.836   22.102  124.084   14.307 -10.24748 26.32891 
1 1 1   10   16    4 o  391.062   22.019  375.278   40.225  387.547   56.882  363.005   56.892  397.777   30.598  384.346   31.673 13.43167 44.03856 
1 1 1   10   16    5 o  282.193   16.171  193.006   20.945  151.673   29.525  234.881   29.718  250.671   25.203  313.715   20.270 -63.04361 32.34232 
1 1 1   10   16    6 o  310.471   24.671  256.796   31.939  193.542   55.221  288.594   39.153  274.787   43.000  346.156   24.202 -71.36899 49.34284 
1 1 1   10   16    7 o   81.252   12.555   15.354   4.4160   19.366   7.7952   13.458   5.3588   88.499   19.384   74.006   15.963 14.49319 25.11046 
1 1 1   10   16    8 o  265.358   19.676  173.417   22.794  165.235   39.472  177.510   27.920  258.603   32.660  272.113   21.954 -13.50983 39.35287 
1 1 1   10   16    9 o  343.145   24.307  307.577   32.440  263.561   64.876  322.250   37.459  319.711   43.420  366.579   21.865 -46.86804 48.61405 
1 1 1   10   16   10 o  379.791   27.928  377.658   41.570  342.399   83.215  389.382   47.986  358.712   49.638  400.871   25.613 -42.15851 55.85680 
1 1 1   10   16   11 o  165.171   13.022   65.404   8.6169   64.200   17.347   65.798   9.9285  163.322   22.727  167.021   12.719 -3.698990 26.04405 
1 1 1   10   16   12 o  261.018   22.124  163.902   26.989   0.0000   0.0000  163.902   26.989  ?   ?   261.018   22.124      ?      ? 
1 1 1   10   16   13 o  432.671   30.892  463.840   62.467   0.0000   0.0000  463.840   62.467  ?   ?   432.671   30.892      ?      ? 
1 1 1   10   16   14 o  212.325   16.902  115.272   13.996   97.934   28.001  121.046   16.160  198.805   30.138  225.845   15.310 -27.04021 33.80354 
1 1 1   10   16   15 o  106.027   13.629   30.418   5.9809   19.826   10.239   35.903   7.3685   88.810   24.069  123.244   12.793 -34.43365 27.25773 
1 1 1   10   16   16 f  234.222   29.481  136.493   32.271   0.0000   0.0000  136.493   32.271  ?   ?   234.222   29.481      ?      ? 
1 1 1   10   16   17 o  243.366   19.048  142.281   21.665   0.0000   0.0000  142.281   21.665  ?   ?   243.366   19.048      ?      ? 
1 1 1   10   16   18 o  203.300   17.017   98.768   16.168   0.0000   0.0000   98.768   16.168  ?   ?   203.300   17.017      ?      ? 
1 1 1   10   16   19 o   59.669   14.696   8.7922   4.0710   0.0000   0.0000   8.7922   4.0710  ?   ?    59.669   14.696      ?      ? 
1 1 1   10   16   20 o  160.260   15.874   61.241   11.889   0.0000   0.0000   61.241   11.889  ?   ?   160.260   15.874      ?      ? 
1 1 1   10   16   21 o  151.518   16.357   57.802   10.693   82.979   15.566   35.307   14.713  185.929   17.914  117.107   27.374 68.82211 32.71474 
1 1 1   10   16   22 o  161.764   10.460   62.372   7.8836   68.657   11.249   56.306   11.052  169.906   14.166  153.623   15.394 16.28249 20.92013 
1 1 1   10   16   23 o   93.793   12.560   22.578   4.7304   23.807   5.5478   19.302   9.0543  100.293   11.836   87.294   22.156 12.99931 25.11919 
1 1 1   10   16   24 o   65.203   11.522   11.213   3.4337   12.833   4.0545   7.1037   6.4572   73.616   11.785   56.790   19.803 16.82560 23.04465 
1 1 1   10   16   25 o   75.691   14.325   12.681   4.2822   11.609   4.7372   17.473   10.014   68.384   15.215   82.999   24.276 -14.61468 28.65022 
1 1 1   10   16   26 o  187.573   15.483   91.944   11.085   96.815   12.717   76.545   22.613  201.510   13.504  173.635   27.866 27.87540 30.96525 
1 1 1   10   16   27 f  116.683   18.330   35.512   9.7308   35.381   14.038   35.633   13.500  116.260   26.435  117.106   25.398 -0.8454742 36.65918 
1 1 1   10   16   28 o  158.055   17.725   63.354   12.717   73.509   18.540   54.330   17.475  171.763   23.096  144.348   26.894 27.41475 35.44974 
1 1 1   10   16   29 o   96.319   14.733   23.959   6.3072   25.890   7.8596   20.468   10.571  103.657   16.224   88.981   24.597 14.67605 29.46596 
1 1 1   10   16   30 o   64.323   11.486   10.203   4.0854   1.7257   6.1269   16.990   5.4820   44.331   18.280   84.315   13.912 -39.98418 22.97175 
1 1 1   10   16   31 o  128.219   14.989   46.507   6.7366   50.429   7.6269   32.591   14.368  145.737   11.198  110.701   27.808 35.03648 29.97800 
1 1 1   10   16   32 o  119.905   9.5318   33.548   5.2538   29.663   6.7276   39.623   8.4113  111.362   12.926  128.449   14.012 -17.08679 19.06359 
1 1 1   10   16   33 o  187.624   14.764   82.910   12.201   74.172   14.665  102.568   21.995  173.919   18.042  201.329   23.376 -27.41022 29.52874 
1 1 1   10   16   34 o   89.653   12.707   20.992   5.0995   15.446   7.8885   24.974   6.6838   77.422   21.186  101.885   14.037 -24.46288 25.41418 
1 1 1   10   16   35 o  252.168   16.487  163.318   16.305  166.232   18.745  154.254   33.055  262.223   15.296  242.114   29.213 20.10849 32.97498 
1 1 1   10   16   36 o   75.594   10.670   12.613   3.7209   5.8976   4.6646   24.361   6.1697   50.360   16.851  100.828   13.093 -50.46765 21.33966 
1 1 1   10   16   37 o  126.511   11.689   38.965   6.8946   36.677   9.8728   41.143   9.6325  122.672   17.221  130.349   15.812 -7.676376 23.37897 
1 1 1   10   16   38 o  143.770   14.849   53.563   9.1325   57.330   11.472   47.045   15.091  153.627   15.978  133.914   25.033 19.71317 29.69733 
1 1 1   10   16   39 o  118.241   11.919   34.396   6.5698   33.543   9.5557   35.161   9.0474  116.611   17.534  119.870   16.150 -3.259819 23.83823 
1 1 1   10   16   40 o   84.077   16.067   19.069   6.1820   20.303   7.3190   15.996   11.549   89.299   18.156   78.855   26.513 10.44351 32.13403 
1 1 1   10   16   41 o   72.461   14.959   14.009   5.1953   15.331   6.0980   10.509   9.9225   77.583   17.263   67.340   24.435 10.24313 29.91796 
1 1 1   10   16   42 o  115.193   18.750   36.553   9.9900   28.244   13.975   45.236   14.286  100.258   28.487  130.128   24.387 -29.86968 37.49929 
1 1 1   10   16   43 o   79.663   26.249   17.034   11.332   17.034   11.332   0.0000   0.0000   79.663   26.249  ?   ?       ?      ? 
1 1 1   10   16   44 o  116.622   13.519   30.332   6.7433   18.792   8.1489   55.399   12.010   84.146   20.832  149.098   17.236 -64.95280 27.03837 
1 1 1   10   16   45 o  104.675   14.885   26.951   7.2817   26.951   7.2817   0.0000   0.0000  104.675   14.885  ?   ?       ?      ? 
1 1 1   10   16   46 o   83.196   15.680   15.349   5.6384   11.141   6.4825   28.423   11.427   65.216   19.648  101.175   24.441 -35.95859 31.35954 
1 1 1   10   16   47 o   54.495   15.312   2.6436   6.2264  -3.9383   8.1633   11.799   9.6276   41.176   18.850   67.814   24.135 -26.63812 30.62387 
1 1 1   10   16   48 o   47.848   14.456   1.4956   5.7980  -9.4577   11.596   5.1468   6.6950   44.747   21.134   50.950   19.729 -6.202389 28.91136 
1 1 1   10   16   49 o   98.050   16.915   23.546   7.0959   39.608   13.779   17.748   8.2781  116.386   25.989   79.715   21.657 36.67048 33.82962 
1 1 1   10   16   50 o  118.147   13.439   36.897   7.1991   41.957   10.284   32.033   10.081  127.835   17.213  108.460   20.643 19.37484 26.87774 
1 1 1   10   16   51 o   65.458   13.526   10.342   4.6696   4.8988   6.0264   18.521   7.3872   48.607   18.746   82.310   19.503 -33.70309 27.05145 
1 1 1   10   16   52 o  127.214   15.441   45.558   7.8883   45.552   9.2975   45.574   14.903  133.498   14.902  120.930   27.047 12.56781 30.88104 
1 1 1   10   16   53 f   91.186   16.378   26.378   6.8209   28.319   7.9329   20.873   13.359  103.769   16.358   78.603   28.378 25.16551 32.75515 
1 1 1   10   16   54 f   99.806   12.782   26.070   5.7543   20.983   7.4190   33.751   9.1165   86.843   18.823  112.769   17.298 -25.92544 25.56394 
1 1 1   10   16   55 o   64.371   14.877   12.492   5.0906   12.214   6.5620   12.913   8.0673   64.107   19.857   64.635   22.158 -0.5277710 29.75373 
1 1 1   10   16   56 o   74.610   14.364   17.956   5.3345   21.103   6.7647   12.781   8.6749   86.125   17.405   63.094   22.854 23.03025 28.72747 
1 1 1   10   16   57 o   42.999   13.702   0.7392   5.7377   1.3379   8.8744   0.3092   7.5212   44.811   20.171   41.186   18.551 3.625359 27.40464 
1 1 1   10   16   58 o   38.403   11.934   0.7549   4.2596   3.5847   4.9454  -7.3774   8.3837   41.253   16.641   35.554   17.112 5.699070 23.86884 
1 1 1   10   16   59 o   72.482   15.854   18.438   5.8361   17.780   7.4375   19.492   9.4147   72.979   20.797   71.985   23.936 0.9941559 31.70891 
1 1 1   10   17    0 o  343.675   19.664  287.478   43.992  287.478   43.992  287.478   43.992  343.675   27.809  343.675   27.809 -0.000000 0.000000 
1 1 1   10   17    1 o  158.334   11.149   59.760   8.1737   50.433   11.535   69.164   11.583  145.682   16.943  170.986   14.496 -25.30473 22.29756 
1 1 1   10   17    2 o  219.258   13.425  114.921   13.718  105.132   19.386  124.739   19.414  209.694   19.782  228.822   18.154 -19.12791 26.84940 
1 1 1   10   17    3 o  322.092   22.785  260.824   31.941  267.741   39.105  246.961   55.364  332.256   25.184  311.928   37.978 20.32813 45.56900 
1 1 1   10   17    4 f  281.906   14.676  186.887   19.061  212.092   30.189  170.178   24.579  297.060   21.745  266.752   19.716 30.30731 29.35254 
1 1 1   10   17    5 o   81.502   9.5052   15.784   3.4457   16.592   5.5792   15.285   4.3812   82.461   15.031   80.544   11.639 1.916649 19.01040 
1 1 1   10   17    6 o  120.500   8.9428   34.078   4.9561   35.337   7.7910   33.222   6.4233  122.263   13.635  118.738   11.575 3.524315 17.88562 
1 1 1   10   17    7 o  118.962   12.574   36.364   5.5885   30.434   11.334   38.269   6.4237  110.427   22.719  127.497   10.781 -17.07008 25.14744 
1 1 1   10   17    8 o  171.469   13.547   67.899   10.363   78.672   18.016   62.573   12.668  180.790   21.323  162.148   16.717 18.64220 27.09482 
1 1 1   10   17    9 o  153.971   12.668   54.260   8.7304   64.820   15.136   48.995   10.687  164.383   19.702  143.559   15.929 20.82326 25.33574 
1 1 1   10   17   10 o  232.070   15.418  121.312   16.053  163.980   27.918  100.240   19.620  260.071   22.970  204.068   20.572 56.00270 30.83548 
1 1 1   10   17   11 o  119.695   12.017   33.397   6.3614   36.660   11.151   31.823   7.7453  123.563   19.311  115.826   14.308 7.736816 24.03401 
1 1 1   10   17   12 o  234.115   19.955  131.964   21.834   0.0000   0.0000  131.964   21.834  ?   ?   234.115   19.955      ?      ? 
1 1 1   10   17   13 o  149.716   14.944   53.288   10.456   0.0000   0.0000   53.288   10.456  ?   ?   149.716   14.944      ?      ? 
1 1 1   10   17   14 o  242.389   18.591  141.001   21.060   0.0000   0.0000  141.001   21.060  ?   ?   242.389   18.591      ?      ? 
1 1 1   10   17   15 o  179.804   23.925   78.954   20.105   0.0000   0.0000   78.954   20.105  ?   ?   179.804   23.925      ?      ? 
1 1 1   10   17   16 o  174.246   23.578   74.105   19.200   0.0000   0.0000   74.105   19.200  ?   ?   174.246   23.578      ?      ? 
1 1 1   10   17   18 o  215.142   27.506  115.201   27.656  115.201   27.656   0.0000   0.0000  215.142   27.506  ?   ?       ?      ? 
1 1 1   10   17   19 o  234.889   29.655  139.026   32.554  139.026   32.554   0.0000   0.0000  234.889   29.655  ?   ?       ?      ? 
1 1 1   10   17   20 f  231.237   29.321  134.818   31.687  134.818   31.687   0.0000   0.0000  231.237   29.321  ?   ?       ?      ? 
1 1 1   10   17   21 o  201.313   18.437  100.810   17.227   86.417   23.931  116.288   24.817  185.673   27.579  216.953   24.476 -31.28003 36.87349 
1 1 1   10   17   22 o  124.548   15.766   38.597   8.8324   28.228   12.072   50.541   12.957  104.698   25.014  144.399   19.200 -39.70059 31.53277 
1 1 1   10   17   23 o  195.604   14.674   91.353   12.530   87.473   15.094   99.950   22.470  190.536   16.951  200.673   23.959 -10.13644 29.34890 
1 1 1   10   17   24 o   77.527   16.152   13.971   6.5528   7.3966   8.6474   22.838   10.042   60.816   22.682   94.239   23.003 -33.42366 32.30476 
1 1 1   10   17   25 o  142.271   25.543   52.278   16.359   0.0000   0.0000   52.278   16.359  ?   ?   142.271   25.543      ?      ? 
1 1 1   10   17   26 o   98.728   12.550   21.648   5.4369   35.154   9.4404   14.945   6.6506  120.588   16.751   76.869   18.693 43.71978 25.10031 
1 1 1   10   17   27 o  194.951   15.926   92.430   13.665   89.206   16.627   99.139   23.988  191.555   18.573  198.347   25.877 -6.792221 31.85262 
1 1 1   10   17   28 o  157.860   14.648   59.587   10.258   56.222   12.520   66.460   17.892  152.332   17.586  163.388   23.431 -11.05591 29.29613 
1 1 1   10   17   29 o  158.809   10.408   61.110   7.5414   63.222   9.7766   58.006   11.850  162.743   12.854  154.874   16.372 7.869629 20.81527 
1 1 1   10   17   30 o  130.820   12.570   40.889   7.6851   40.889   7.6851   0.0000   0.0000  130.820   12.570  ?   ?       ?      ? 
1 1 1   10   17   31 o  159.071   11.687   61.724   8.6655   65.353   12.102   57.905   12.414  164.164   15.774  153.978   17.250 10.18571 23.37486 
1 1 1   10   17   32 o  169.287   16.686   76.001   11.635   65.182   20.294   81.299   14.201  155.808   28.935  182.767   16.626 -26.95944 33.37132 
1 1 1   10   17   33 f  189.026   15.710   87.585   12.919   84.152   15.547   95.243   23.221  185.411   17.942  192.641   25.793 -7.230087 31.41946 
1 1 1   10   17   34 f  166.940   10.189   66.664   7.8062   64.705   10.066   69.618   12.364  164.317   13.108  169.562   15.603 -5.244965 20.37791 
1 1 1   10   17   35 o  172.545   9.5355   68.313   7.5006   51.965   9.6019   93.905   12.014  147.046   13.972  198.045   12.980 -50.99933 19.07097 
1 1 1   10   17   36 o  182.308   17.702   88.751   13.326   94.946   16.303   76.280   23.131  197.007   17.707  167.610   30.659 29.39691 35.40487 
1 1 1   10   17   37 o   98.910   12.770   25.321   5.6297   18.618   8.2587   31.139   7.6944   84.468   21.008  113.352   14.525 -28.88372 25.54029 
1 1 1   10   17   38 o   34.114   11.453  -7.2006   4.7291  -6.6179   5.9184  -8.2297   7.8651   31.581   14.970   36.648   17.338 -5.067055 22.90677 
1 1 1   10   17   39 o   90.198   15.743   23.426   6.7261   28.137   8.0194   12.251   12.352  107.395   15.978   73.000   27.131 34.39523 31.48628 
1 1 1   10   17   40 o  114.801   19.147   36.262   10.110   37.579   14.238   34.922   14.358  117.243   26.595  112.360   27.553 4.882698 38.29454 
1 1 1   10   17   41 o  195.566   20.772  105.435   18.943  104.382   27.557  106.379   26.082  193.512   30.471  197.621   28.240 -4.109634 41.54495 
1 1 1   10   17   42 o  199.293   15.765  101.087   13.999   96.922   17.264  109.084   23.921  196.204   18.827  202.381   25.291 -6.176773 31.52943 
1 1 1   10   17   43 o   64.476   13.956   10.980   4.3523   11.854   5.0073   8.2795   8.8017   67.986   16.022   60.966   22.855 7.020081 27.91118 
1 1 1   10   17   44 o   60.160   14.433   7.1564   4.2849   5.0622   4.8908   14.073   8.8883   47.746   17.179   72.574   23.198 -24.82732 28.86662 
1 1 1   10   17   45 o   99.573   15.226   26.336   5.9876   26.352   6.8049   26.281   12.601  103.580   14.057   95.566   27.014 8.014687 30.45253 
1 1 1   10   17   46 o   78.075   15.633   15.108   5.3379   13.403   6.1377   20.401   10.814   71.249   18.328   84.902   25.332 -13.65362 31.26659 
1 1 1   10   17   47 o   59.278   16.782   3.9427   8.0249  -8.4796   11.869   14.405   10.892   45.940   21.600   72.617   25.689 -26.67686 33.56330 
1 1 1   10   17   48 o   63.445   16.512   9.8960   5.8044   11.036   11.933   9.5426   6.6433   66.701   26.194   60.189   20.110 6.511719 33.02324 
1 1 1   10   17   49 o   92.779   19.196   25.901   9.4699   36.700   13.441   15.257   13.345  111.601   26.216   73.957   28.049 37.64468 38.39280 
1 1 1   10   17   50 o  117.570   16.687   40.827   8.5385   44.649   10.667   34.010   14.247  131.150   17.403  103.990   28.478 27.15929 33.37400 
1 1 1   10   17   51 o   72.409   12.234   16.158   5.6534   26.887   6.9010  -5.7359   9.8580  102.625   14.389   42.192   19.789 60.43217 24.46709 
1 1 1   10   17   52 o   79.956   15.358   18.812   5.8831   18.837   8.5312   18.790   8.1237   79.704   22.121   80.208   21.310 -0.5042038 30.71570 
1 1 1   10   17   53 o  104.831   13.834   30.653   6.5143   44.874   9.6264   18.639   8.8478  131.145   15.706   78.517   22.778 52.62795 27.66796 
1 1 1   10   17   54 o   51.189   14.871   5.1830   5.3053   3.2113   6.3496   9.7428   9.6558   43.946   18.405   58.432   23.364 -14.48621 29.74257 
1 1 1   10   17   55 o   33.565   10.970  -3.9732   4.0098  -7.4875   5.1703   1.3309   6.3519   26.622   12.960   40.508   17.703 -13.88528 21.93989 
1 1 1   10   17   56 o   47.416   12.502   4.7470   4.4563   10.752   5.8204  -3.7596   6.9275   59.581   18.742   35.252   16.551 24.32833 25.00454 
1 1 1   10   17   57 o   53.144   13.852   8.0049   4.4572   6.3087   5.7025   10.668   7.1457   48.195   18.322   58.094   20.780 -9.898289 27.70366 
1 1 1   10   17   58 o   58.044   13.615   10.852   5.0921   17.081   6.7016   2.3435   7.8326   73.080   19.326   43.008   19.184 30.07193 27.23096 
1 1 1   10   18    0 o  108.131   10.766   29.115   7.2557   29.115   7.2557   29.115   7.2557  108.131   15.226  108.131   15.226 -0.000000 0.000000 
1 1 1   10   18    1 o   89.043   10.708   19.349   4.2834   23.604   6.0779   15.151   6.0375   99.865   13.023   78.221   17.001 21.64478 21.41546 
1 1 1   10   18    2 o  251.975   16.559  150.193   18.581  140.801   22.743  169.046   32.224  241.779   20.128  262.170   26.299 -20.39108 33.11776 
1 1 1   10   18    3 o  276.880   14.088  180.552   17.976  209.087   28.472  161.639   23.180  294.350   20.697  259.409   19.120 34.94131 28.17694 
1 1 1   10   18    4 o  202.643   12.472  101.606   11.294   84.368   17.875  113.059   14.570  187.029   20.450  218.256   14.284 -31.22638 24.94470 
1 1 1   10   18    5 o  303.513   19.727  218.929   24.569  248.542   49.157  209.068   28.366  312.719   33.635  294.306   20.624 18.41293 39.45417 
1 1 1   10   18    6 o  153.533   11.117   50.957   7.1908   68.587   14.315   45.006   8.3163  169.177   18.105  137.889   12.905 31.28835 22.23329 
1 1 1   10   18    7 o  103.367   11.670   25.234   5.6376   0.0000   0.0000   25.234   5.6376  ?   ?   103.367   11.670      ?      ? 
1 1 1   10   18    8 o  211.725   14.413  106.453   14.261   0.0000   0.0000  106.453   14.261  ?   ?   211.725   14.413      ?      ? 
1 1 1   10   18    9 o  232.979   15.905  129.359   17.318   0.0000   0.0000  129.359   17.318  ?   ?   232.979   15.905      ?      ? 
1 1 1   10   18   10 o  171.306   13.112   69.507   10.498   0.0000   0.0000   69.507   10.498  ?   ?   171.306   13.112      ?      ? 
1 1 1   10   18   11 o  307.165   37.910  245.878   54.422   0.0000   0.0000  245.878   54.422  ?   ?   307.165   37.910      ?      ? 
1 1 1   10   18   12 o  227.257   20.715  124.923   22.001   0.0000   0.0000  124.923   22.001  ?   ?   227.257   20.715      ?      ? 
1 1 1   10   18   14 o  177.643   24.092   77.465   20.002   77.465   20.002   0.0000   0.0000  177.643   24.092  ?   ?       ?      ? 
1 1 1   10   18   15 o  235.962   29.748  140.374   32.805  140.374   32.805   0.0000   0.0000  235.962   29.748  ?   ?       ?      ? 
1 1 1   10   18   16 o  213.737   27.312  114.024   27.282  114.024   27.282   0.0000   0.0000  213.737   27.312  ?   ?       ?      ? 
1 1 1   10   18   17 o  275.394   25.117  198.895   32.077  223.922   45.298  173.724   45.429  294.941   32.862  255.846   37.994 39.09532 50.23416 
1 1 1   10   18   18 f  155.844   16.603   60.686   11.685   50.849   16.392   70.851   16.663  141.169   25.796  170.519   20.909 -29.35007 33.20568 
1 1 1   10   18   19 o  194.470   18.261   94.438   16.582   89.349   23.238   99.718   23.670  188.889   26.323  200.051   25.317 -11.16194 36.52234 
1 1 1   10   18   20 o  114.948   16.268   33.538   8.3354   33.020   10.903   34.267   12.930  114.519   21.152  115.378   24.723 -0.8588257 32.53627 
1 1 1   10   18   21 o  214.678   22.962  123.333   21.911  148.521   30.687   97.133   31.296  241.964   27.137  187.391   37.049 54.57321 45.92395 
1 1 1   10   18   22 o   65.197   22.785   9.7260   8.5505   0.0000   0.0000   9.7260   8.5505  ?   ?    65.197   22.785      ?      ? 
1 1 1   10   18   23 o  151.840   13.303   55.055   9.4401   0.0000   0.0000   55.055   9.4401  ?   ?   151.840   13.303      ?      ? 
1 1 1   10   18   24 o   74.118   13.315   11.702   4.0625   19.000   8.5816   9.5948   4.6121   86.238   21.395   61.997   15.855 24.24072 26.62957 
1 1 1   10   18   25 o   52.668   12.358   6.3705   3.1703   5.3711   6.8788   6.6400   3.5722   53.460   20.171   51.876   14.282 1.583973 24.71541 
1 1 1   10   18   26 o  126.233   9.3596   39.435   5.2997   31.458   8.1799   45.206   6.9575  114.373   15.303  138.093   10.781 -23.72033 18.71913 
1 1 1   10   18   27 o  143.155   9.8970   50.059   6.4270   44.805   10.066   53.675   8.3508  136.184   15.816  150.126   11.902 -13.94237 19.79400 
1 1 1   10   18   28 o  225.382   17.431  128.450   17.355  126.728   21.336  131.819   29.833  226.209   20.182  224.555   28.427 1.654236 34.86287 
1 1 1   10   18   29 o   68.074   15.687   10.711   6.3088   17.615   8.6551   2.8851   9.2153   82.353   22.049   53.794   22.320 28.55876 31.37458 
1 1 1   10   18   30 o   95.907   13.446   19.301   5.0238   15.891   5.6442   32.306   11.022   79.745   15.703  112.068   21.830 -32.32322 26.89107 
1 1 1   10   18   31 o   43.889   12.530   2.7527   3.7612   4.8333   4.0971  -8.3992   9.4854   46.245   15.791   41.533   19.458 4.711899 25.05923 
1 1 1   10   18   32 o   75.544   13.692   10.976   4.3381   7.4440   4.9027   23.714   9.3113   55.207   17.175   95.881   21.330 -40.67424 27.38492 
1 1 1   10   18   33 o  132.300   16.764   50.732   8.1068   55.699   9.2710   34.599   16.710  152.519   13.006  112.080   30.903 40.43889 33.52839 
1 1 1   10   18   34 o  209.327   18.158  113.877   16.499  117.020   20.208  107.592   28.573  217.469   19.883  201.185   30.389 16.28412 36.31572 
1 1 1   10   18   35 o  122.100   11.922   36.576   6.7508   36.412   10.171   36.706   9.0257  121.483   17.914  122.716   15.738 -1.232201 23.84482 
1 1 1   10   18   36 o  136.027   14.642   44.751   8.7775   41.304   10.607   52.241   15.634  129.421   17.537  142.633   23.453 -13.21234 29.28477 
1 1 1   10   18   37 o  164.637   15.016   67.331   9.6637   66.610   11.005   69.760   20.198  166.002   14.185  163.273   26.470 2.728851 30.03104 
1 1 1   10   18   38 o  216.974   22.169  130.249   22.471  126.546   31.734  133.973   31.825  213.369   31.823  220.579   30.872 -7.209167 44.33749 
1 1 1   10   18   39 o   76.197   15.997   13.918   5.3813   12.571   6.1220   18.497   11.287   69.695   18.490   82.700   26.110 -13.00441 31.99434 
1 1 1   10   18   40 o  163.641   14.954   69.349   10.700   71.119   13.178   65.926   18.328  169.479   16.638  157.803   24.852 11.67616 29.90719 
1 1 1   10   18   41 f  102.609   13.088   25.551   6.2763   25.551   6.2763   0.0000   0.0000  102.609   13.088  ?   ?       ?      ? 
1 1 1   10   18   42 o  118.121   14.525   37.982   6.6152   39.775   7.6791   32.824   13.027  127.977   12.839  108.266   26.059 19.71025 29.05034 
1 1 1   10   18   43 o   58.395   14.919   8.0349   5.2476   6.8020   7.7028   9.1026   7.1685   56.267   21.317   60.524   20.879 -4.256626 29.83891 
1 1 1   10   18   44 o   69.033   16.733   7.0065   4.9148   4.2969   5.2797   24.599   13.453   46.455   17.637   91.610   28.442 -45.15517 33.46632 
1 1 1   10   18   45 o   88.079   15.868   22.517   5.8747   23.891   6.5359   16.741   13.403   98.369   14.217   77.789   28.373 20.58045 31.73530 
1 1 1   10   18   46 o   72.820   28.455   14.031   14.025   0.0000   0.0000   14.031   14.025  ?   ?    72.820   28.455      ?      ? 
1 1 1   10   18   47 o   45.043   19.287   1.4294   7.2386   0.0000   0.0000   1.4294   7.2386  ?   ?    45.043   19.287      ?      ? 
1 1 1   10   18   48 o   49.676   14.033   4.3799   4.9611   6.0473   7.0473   2.7417   6.9853   52.791   20.296   46.561   19.385 6.229752 28.06636 
1 1 1   10   18   49 o   64.627   20.028   11.560   6.6743   11.560   6.6743   0.0000   0.0000   64.627   20.028  ?   ?       ?      ? 
1 1 1   10   18   50 o   65.437   13.672   11.783   4.4270   9.8570   5.7336   14.626   6.9663   59.570   18.580   71.304   20.061 -11.73383 27.34323 
1 1 1   10   18   51 o   56.443   14.920   8.1058   5.2356   8.9515   8.1418   7.5094   6.8365   58.441   21.967   54.446   20.195 3.995441 29.83904 
1 1 1   10   18   52 o   72.910   14.757   15.605   5.5041   21.253   7.9697   10.454   7.6106   85.467   20.261   60.353   21.460 25.11374 29.51374 
1 1 1   10   18   53 o   46.444   13.942   3.2779   5.1852   6.0748   8.1928   1.4090   6.6971   51.253   21.137   41.635   18.187 9.618351 27.88424 
1 1 1   10   18   54 o   83.972   13.163   20.283   5.0399   15.558   6.6585   26.621   7.7120   71.638   19.407   96.305   17.790 -24.66724 26.32694 
1 1 1   10   18   55 f   31.398   10.505  -3.9603   3.9187  -3.6595   4.8903  -4.4999   6.5504   29.308   13.806   33.487   15.837 -4.179369 21.01001 
1 1 1   10   18   56 o   44.594   12.968   3.4546   4.4807  -0.1242   5.9845   8.0199   6.7592   36.936   16.601   52.251   19.927 -15.31474 25.93613 
1 1 1   10   18   57 o   35.905   11.670  -0.9894   4.4067  -1.1238   5.7020  -0.7902   6.9441   34.267   15.712   37.544   17.260 -3.276672 23.34057 
1 1 1   10   19    0 o  227.213   21.778  131.335   31.011  131.335   31.011  131.335   31.011  227.213   30.799  227.213   30.799 -0.000000 0.000000 
1 1 1   10   19    1 o  337.639   42.311  305.509   66.764  305.509   66.764   0.0000   0.0000  337.639   42.311  ?   ?       ?      ? 
1 1 1   10   19    2 o  259.875   32.239  171.308   39.155  171.308   39.155   0.0000   0.0000  259.875   32.239  ?   ?       ?      ? 
1 1 1   10   19    3 o  319.416   27.285  268.182   40.535  296.084   57.446  240.513   57.205  337.948   36.372  300.885   40.681 37.06265 54.56976 
1 1 1   10   19    4 o  123.316   14.063   36.671   8.0997   37.725   11.712   35.705   11.214  124.979   20.051  121.652   19.724 3.327347 28.12608 
1 1 1   10   19    5 o  262.052   23.720  176.230   28.874  156.370   40.938  195.889   40.731  245.855   35.630  278.249   31.322 -32.39349 47.43990 
1 1 1   10   19    6 o  218.077   27.341  118.227   27.865   0.0000   0.0000  118.227   27.865  ?   ?   218.077   27.341      ?      ? 
1 1 1   10   19    7 o  134.825   20.060   43.960   12.640   0.0000   0.0000   43.960   12.640  ?   ?   134.825   20.060      ?      ? 
1 1 1   10   19    8 o  121.351   15.539   37.238   8.4564   28.657   12.252   45.045   11.687  105.856   25.139  136.846   18.273 -30.99043 31.07861 
1 1 1   10   19    9 o  126.125   14.267   39.008   8.1587   45.266   11.772   33.223   11.318  137.132   18.368  115.119   21.835 22.01256 28.53373 
1 1 1   10   19   10 o  134.318   15.629   45.013   9.4791   39.166   13.701   50.382   13.128  124.257   24.464  144.379   19.457 -20.12202 31.25743 
1 1 1   10   19   11 o   43.210   17.653   1.7986   5.6479   1.7986   5.6479   0.0000   0.0000   43.210   17.653  ?   ?       ?      ? 
1 1 1   10   19   12 o   74.373   13.527   13.736   4.7308   15.856   6.9985   11.952   6.4197   79.495   19.080   69.250   19.179 10.24454 27.05311 
1 1 1   10   19   13 o  198.927   18.503   98.652   17.179  104.172   24.304   93.140   24.287  204.855   25.385  192.998   26.927 11.85728 37.00616 
1 1 1   10   19   14 o  299.755   21.010  238.921   26.675  198.171   46.241  259.245   32.656  273.857   36.129  325.654   21.457 -51.79727 42.02021 
1 1 1   10   19   15 f  227.814   17.201  128.662   17.199  129.114   29.837  128.436   21.048  225.773   28.277  229.855   19.594 -4.082413 34.40216 
1 1 1   10   19   16 o  155.048   15.749   69.139   8.6817   43.936   17.177   77.786   10.062  129.045   29.167  181.051   11.891 -52.00613 31.49757 
1 1 1   10   19   17 o   64.770   10.311   7.6317   3.0653   18.468   5.9241   3.6697   3.5820   87.853   14.429   41.688   14.734 46.16444 20.62201 
1 1 1   10   19   18 o   67.727   11.551   9.1289   3.2323   17.483   6.7888   6.6799   3.6757   83.410   17.947   52.044   14.547 31.36671 23.10273 
1 1 1   10   19   19 o  204.454   14.732  100.314   14.076   0.0000   0.0000  100.314   14.076  ?   ?   204.454   14.732      ?      ? 
1 1 1   10   19   20 o  163.718   13.309   63.994   10.183   0.0000   0.0000   63.994   10.183  ?   ?   163.718   13.309      ?      ? 
1 1 1   10   19   21 o  171.518   15.493   73.201   11.595   70.783   20.142   74.400   14.181  167.658   25.705  175.377   17.302 -7.719498 30.98602 
1 1 1   10   19   22 o  183.364   13.211   78.616   10.770   92.204   18.889   72.071   13.110  193.757   20.860  172.971   16.218 20.78596 26.42298 
1 1 1   10   19   23 f  183.142   15.713   78.403   12.894  100.729   22.462   67.431   15.746  200.606   23.958  165.678   20.336 34.92790 31.42533 
1 1 1   10   19   24 o  142.484   10.295   48.971   6.8271   52.595   9.5054   45.109   9.8118  148.169   13.727  136.799   15.347 11.36958 20.59022 
1 1 1   10   19   25 o   94.971   10.895   22.217   4.6737   23.193   6.2773   21.001   7.0009   98.317   13.661   91.624   16.974 6.693176 21.78912 
1 1 1   10   19   26 o  145.490   13.364   52.468   8.4810   53.139   10.357   51.101   14.776  148.313   14.942  142.667   22.161 5.645889 26.72756 
1 1 1   10   19   27 o   85.708   9.7172   17.652   3.8918   17.964   5.5583   17.351   5.4509   86.449   13.758   84.968   13.727 1.480759 19.43439 
1 1 1   10   19   28 o  154.442   9.6225   57.797   6.7646   54.711   10.691   59.856   8.7354  150.461   15.204  158.423   11.798 -7.961716 19.24500 
1 1 1   10   19   29 o  166.061   15.844   69.937   11.188   71.137   13.426   67.210   20.236  170.934   16.806  161.188   26.863 9.746277 31.68729 
1 1 1   10   19   30 o   87.980   10.885   18.801   4.3433   15.476   5.8527   22.877   6.4799   78.466   16.484   97.493   14.222 -19.02731 21.77101 
1 1 1   10   19   31 o  281.362   27.358  225.566   35.559  192.680   50.222  258.624   50.354  256.365   41.917  306.358   35.169 -49.99298 54.71650 
1 1 1   10   19   32 o   85.521   17.544   19.593   7.5366   22.795   9.7688   14.884   11.845   93.484   22.607   77.558   26.835 15.92632 35.08835 
1 1 1   10   19   33 o  262.355   22.531  192.480   25.377  199.786   31.084  177.876   43.945  278.723   23.863  245.986   38.226 32.73701 45.06271 
1 1 1   10   19   34 f   75.694   16.092   15.456   6.1483   17.634   7.4208   10.686   10.980   82.580   19.534   68.809   25.579 13.77087 32.18490 
1 1 1   10   19   35 o   66.564   16.093   11.220   4.9510   11.220   4.9510   0.0000   0.0000   66.564   16.093  ?   ?       ?      ? 
1 1 1   10   19   36 o  102.952   17.918   30.480   10.035   8.1211   15.693   45.949   13.053   70.954   29.256  134.949   20.696 -63.99533 35.83635 
1 1 1   10   19   37 f  118.084   12.811   35.701   6.6628   46.050   9.4770   25.585   9.3692  137.375   14.761   98.793   20.943 38.58250 25.62199 
1 1 1   10   19   38 o  103.593   15.070   27.764   6.8389   26.316   8.5596   30.321   11.372  101.059   18.816  106.128   23.544 -5.069397 30.13911 
1 1 1   10   19   39 o   93.740   14.700   24.216   6.2550   28.067   7.9036   17.760   10.233  106.645   15.858   80.836   24.757 25.80905 29.40022 
1 1 1   10   19   40 o   40.525   17.795  -0.7295   6.4865  -0.7295   6.4865   0.0000   0.0000   40.525   17.795  ?   ?       ?      ? 
1 1 1   10   19   41 o  111.993   17.057   37.925   8.3892   44.743   10.194   23.618   14.767  134.018   16.276   89.969   29.980 44.04836 34.11326 
1 1 1   10   19   42 o   70.893   14.578   13.873   6.4523   22.642   7.8913  -3.8126   11.207   92.896   18.821   48.890   22.268 44.00541 29.15692 
1 1 1   10   19   43 o  215.826   17.413  117.091   15.111  107.900   17.220  147.854   31.506  206.089   17.879  225.563   29.887 -19.47455 34.82637 
1 1 1   10   19   44 o  110.287   13.528   20.712   5.8898   10.607   6.5458   63.686   13.499   63.273   19.871  157.301   18.362 -94.02829 27.05630 
1 1 1   10   19   45 o   76.111   19.326   15.503   8.6016   10.783   10.838   23.535   14.139   65.448   25.168   86.774   29.336 -21.32568 38.65252 
1 1 1   10   19   46 o   67.018   17.247   10.909   6.6038   16.168   11.799   8.5107   7.9687   75.070   26.718   58.965   21.817 16.10408 34.49396 
1 1 1   10   19   47 o   83.954   14.047   19.908   6.0597   30.135   8.3669   8.6250   8.7880  108.338   16.525   59.570   22.721 48.76812 28.09479 
1 1 1   10   19   48 o  133.587   11.310   44.097   6.8895   35.635   8.6908   58.409   11.302  117.281   15.856  149.893   16.134 -32.61121 22.62094 
1 1 1   10   19   49 o   63.254   14.289   11.291   4.6886   10.967   5.9717   11.812   7.5704   62.504   18.864   64.004   21.467 -1.500065 28.57760 
1 1 1   10   19   50 o   43.833   13.687   1.6782   4.6308   3.4008   4.9654  -9.8268   12.832   42.495   16.830   45.172   21.589 -2.676914 27.37405 
1 1 1   10   19   51 o   37.078   15.916   1.0701   4.9516   1.0701   4.9516   0.0000   0.0000   37.078   15.916  ?   ?       ?      ? 
1 1 1   10   19   52 o   57.709   16.293   6.6843   5.4030   3.9335   5.9979   18.522   12.443   44.394   18.170   71.025   27.049 -26.63084 32.58517 
1 1 1   10   19   53 o   81.313   14.363   20.502   5.4831   17.531   7.7071   23.548   7.8022   74.099   21.190   88.526   19.395 -14.42618 28.72539 
1 1 1   10   19   54 o   69.413   14.761   16.095   5.7322   8.5788   8.7529   21.740   7.5850   54.420   22.073   84.407   19.603 -29.98765 29.52120 
1 1 1   10   19   55 o   57.978   15.973   10.856   5.9383   13.025   10.620   9.8690   7.1626   60.254   24.358   55.701   20.669 4.553265 31.94520 
1 1 1   10   19   56 o   54.424   13.448   9.0882   4.7649   14.715   6.5196   2.6359   6.9812   66.953   19.590   41.896   18.428 25.05699 26.89513 
1 1 1   10   20    0 o  157.081   17.998   63.514   17.214   63.514   17.214   63.514   17.214  157.081   25.453  157.081   25.453 -0.000000 0.000000 
1 1 1   10   20    1 o  368.466   34.830  391.007   59.391  339.556   83.974  442.500   84.009  338.593   53.067  398.339   45.126 -59.74606 69.65974 
1 1 1   10   20    2 o  241.025   21.395  147.587   24.099  148.412   34.244  146.778   33.922  241.651   30.322  240.400   30.193 1.251892 42.79020 
1 1 1   10   20    3 o   85.865   12.321   16.594   4.5493   24.487   8.1626   13.038   5.4792   99.362   18.250   72.368   16.559 26.99480 24.64297 
1 1 1   10   20    4 o  145.936   11.952   47.447   7.7560   63.774   13.822   39.944   9.3702  162.624   18.187  129.249   15.512 33.37463 23.90379 
1 1 1   10   20    5 o  376.511   25.384  352.099   44.666   0.0000   0.0000  352.099   44.666  ?   ?   376.511   25.384      ?      ? 
1 1 1   10   20    6 o  313.504   30.300  299.070   36.308  194.825   62.804  351.401   44.498  250.985   55.056  376.023   25.321 -125.0379 60.59952 
1 1 1   10   20    7 o  209.413   19.268  110.214   18.828  103.231   26.533  117.298   26.723  202.283   28.066  216.544   26.405 -14.26102 38.53521 
1 1 1   10   20    8 o  142.982   16.324   51.608   10.264   34.654   14.164   70.357   14.895  115.501   26.763  170.463   18.697 -54.96156 32.64746 
1 1 1   10   20    9 o  374.241   25.102  349.185   43.904   0.0000   0.0000  349.185   43.904  ?   ?   374.241   25.102      ?      ? 
1 1 1   10   20   10 o  193.751   15.598   95.175   11.924   86.642   23.862   98.015   13.767  185.022   27.596  202.480   14.548 -17.45764 31.19553 
1 1 1   10   20   11 o  174.561   14.802   75.676   11.252   71.844   19.534   77.579   13.765  169.624   24.641  179.498   16.409 -9.874115 29.60419 
1 1 1   10   20   12 o  174.462   16.745   79.656   12.043   67.605   20.981   85.577   14.707  160.587   29.024  188.337   16.709 -27.74948 33.48991 
1 1 1   10   20   13 o  406.520   38.400  522.189   64.151  487.984  111.096  539.299   78.574  369.490   66.794  443.550   37.905 -74.06094 76.79993 
1 1 1   10   20   14 o  212.195   17.929  119.722   14.681  101.045   29.431  125.909   16.939  195.793   32.163  228.597   15.855 -32.80397 35.85859 
1 1 1   10   20   15 o   84.633   11.391   15.892   4.2411   24.103   7.4941   12.023   5.1441   99.979   16.039   69.286   16.180 30.69276 22.78189 
1 1 1   10   20   16 o   94.584   11.234   21.225   4.9661   0.0000   0.0000   21.225   4.9661  ?   ?    94.584   11.234      ?      ? 
1 1 1   10   20   17 o  128.464   11.528   37.982   6.0388   43.533   12.272   36.208   6.9366  133.491   19.672  123.436   12.024 10.05493 23.05548 
1 1 1   10   20   18 o  160.919   11.650   58.893   7.7727   70.344   15.533   55.068   8.9775  169.739   19.581  152.100   12.629 17.63919 23.30031 
1 1 1   10   20   19 o   75.958   11.961   13.387   3.6272   15.828   7.7115   12.694   4.1103   78.850   20.673   73.066   12.037 5.783737 23.92196 
1 1 1   10   20   20 o  146.015   14.903   54.630   9.0520   49.360   15.883   57.165   11.016  137.926   25.583  154.105   15.295 -16.17853 29.80659 
1 1 1   10   20   21 o   73.470   13.220   13.338   4.2764   14.481   7.8228   12.850   5.1070   75.289   21.285   71.650   15.686 3.639084 26.44073 
1 1 1   10   20   22 o  192.291   15.862   98.649   11.715   81.053   23.473  104.486   13.519  176.042   28.531  208.539   13.871 -32.49640 31.72397 
1 1 1   10   20   23 o  140.542   17.288   51.343   10.993   57.080   15.228   45.098   15.887  151.043   21.572  130.041   27.023 21.00195 34.57697 
1 1 1   10   20   24 o   97.933   14.348   26.839   5.9513   17.631   10.692   30.972   7.1636   82.294   25.324  113.572   13.496 -31.27769 28.69564 
1 1 1   10   20   25 o  114.737   16.762   36.966   7.8632   40.750   9.2307   26.958   15.012  129.848   15.211   99.626   29.874 30.22250 33.52366 
1 1 1   10   20   26 o  113.164   10.144   30.763   5.3586   28.985   7.3809   32.745   7.7922  109.703   14.396  116.625   14.296 -6.922539 20.28877 
1 1 1   10   20   27 o   48.233   10.876   5.0475   3.1945   9.0814   4.2305  -0.3037   4.8726   60.183   15.074   36.283   15.683 23.89952 21.75258 
1 1 1   10   20   28 o  208.329   13.040  106.555   12.670  114.500   17.968   98.698   17.868  216.415   17.765  200.242   19.093 16.17230 26.07958 
1 1 1   10   20   29 o   96.905   13.292   22.548   4.8921   25.225   10.672   21.836   5.5045   98.198   23.557   95.612   12.319 2.585953 26.58335 
1 1 1   10   20   30 o  108.602   14.401   29.600   6.6026   30.596   11.924   29.160   7.9291  107.599   24.289  109.606   15.479 -2.006935 28.80177 
1 1 1   10   20   31 o   80.421   17.546   17.078   7.2492   16.726   10.051   17.460   10.466   79.649   24.560   81.193   25.066 -1.543663 35.09245 
1 1 1   10   20   32 o  188.651   13.752   79.792   11.421   63.411   13.634  118.332   20.912  160.164   18.214  217.137   20.607 -56.97314 27.50314 
1 1 1   10   20   33 o   29.113   13.204  -2.0642   3.8872  -2.0642   3.8872   0.0000   0.0000   29.113   13.204  ?   ?       ?      ? 
1 1 1   10   20   34 o  114.826   17.563   35.927   9.1361   39.476   11.752   30.507   14.524  125.272   20.074  104.380   28.824 20.89232 35.12531 
1 1 1   10   20   35 o   71.719   13.729   13.504   4.7160   12.033   7.1943   14.613   6.2448   68.206   20.732   75.232   18.002 -7.026688 27.45730 
1 1 1   10   20   36 o   58.033   18.250   8.4555   5.5189   8.4555   5.5189   0.0000   0.0000   58.033   18.250  ?   ?       ?      ? 
1 1 1   10   20   37 o   87.081   29.533   21.239   14.330   21.239   14.330   0.0000   0.0000   87.081   29.533  ?   ?       ?      ? 
1 1 1   10   20   38 o  116.130   17.873   33.876   9.7001   33.876   9.7001   0.0000   0.0000  116.130   17.873  ?   ?       ?      ? 
1 1 1   10   20   39 o   91.871   14.416   24.471   5.7859   28.194   6.9240   15.854   10.534  107.336   13.803   76.406   25.314 30.93031 28.83265 
1 1 1   10   20   40 f  117.483   14.076   32.950   6.5040   30.094   7.4094   42.539   13.578  110.568   14.339  124.398   24.226 -13.83010 28.15104 
1 1 1   10   20   41 o  163.877   12.664   61.753   8.6936   54.411   10.031   83.913   17.426  148.454   14.458  179.301   20.795 -30.84760 25.32768 
1 1 1   10   20   42 o   88.946   17.451   19.589   7.5786   11.501   9.3148   35.426   13.035   66.569   23.734  111.323   25.590 -44.75352 34.90200 
1 1 1   10   20   43 o   62.009   16.679   8.1593   5.0970   7.5739   5.4817   11.897   13.851   54.533   18.267   69.485   27.913 -14.95242 33.35860 
1 1 1   10   20   44 o   50.975   15.613  -5.4462   7.6705 -18.3170   10.240   11.005   11.578   35.452   17.459   66.499   25.889 -31.04667 31.22614 
1 1 1   10   20   45 o   35.762   12.089  -8.6983   5.6740 -19.0767   10.278  -4.1489   6.8049   35.075   17.314   36.450   16.874 -1.375648 24.17712 
1 1 1   10   20   46 o   54.689   16.398   0.6421   6.3610  -3.6033   7.2536   14.777   13.236   38.055   17.548   71.323   27.705 -33.26862 32.79523 
1 1 1   10   20   47 o   47.558   14.820  -2.3147   6.2358  -7.9673   7.6076   9.2603   10.886   34.499   16.524   60.616   24.606 -26.11740 29.63943 
1 1 1   10   20   48 o   92.268   13.700   24.827   5.5501   27.799   6.8931   19.348   9.3586  104.545   14.108   79.991   23.490 24.55396 27.40076 
1 1 1   10   20   49 o   80.974   17.137   19.228   6.8892   28.419   11.487   14.065   8.6095   93.930   25.508   68.018   22.892 25.91195 34.27430 
1 1 1   10   20   50 o   47.502   13.305   5.2909   4.3965   6.5249   5.4467   2.9837   7.4479   49.533   18.084   45.471   19.520 4.062363 26.60911 
1 1 1   10   20   51 o   41.511   12.530   1.9327   4.1587   0.3463   5.2179   4.6952   6.8856   36.124   15.909   46.899   19.363 -10.77498 25.06023 
1 1 1   10   20   52 o   39.096   12.033  -0.0114   4.0806  -3.1721   5.1377   5.3899   6.7163   30.729   14.372   47.462   19.304 -16.73254 24.06659 
1 1 1   10   20   53 o   61.223   14.683   9.2684   4.7354   5.1458   5.5433   20.400   9.1088   45.480   17.855   76.965   23.314 -31.48518 29.36566 
1 1 1   10   20   54 o   29.905   10.172  -5.7205   4.1552  -3.7353   5.2652  -8.9984   6.7656   30.029   14.201   29.781   14.568 0.2483711 20.34451 
1 1 1   10   21    0 o  137.332   11.138   46.391   9.7648   46.391   9.7648   46.391   9.7648  137.332   15.751  137.332   15.751 -0.000000 0.000000 
1 1 1   10   21    1 o  107.188   8.7934   26.628   4.3445   32.096   6.8634   22.972   5.6118  116.096   12.650   98.279   12.218 17.81622 17.58678 
1 1 1   10   21    2 o  150.815   9.6929   55.337   6.6160   49.838   10.452   59.014   8.5461  143.977   15.533  157.653   11.599 -13.67613 19.38584 
1 1 1   10   21    3 o   90.976   8.7517   19.183   3.6600   22.604   5.8596   16.994   4.6866   97.385   12.875   84.566   11.858 12.81865 17.50347 
1 1 1   10   21    4 o  221.579   19.710  136.082   16.004  106.984   31.941  145.837   18.493  197.179   35.988  245.980   16.087 -48.80013 39.41945 
1 1 1   10   21    5 o  247.245   16.117  142.557   16.463  173.164   33.080  132.481   18.980  260.676   27.153  233.814   17.370 26.86201 32.23385 
1 1 1   10   21    6 o  266.285   20.064  188.044   20.865  169.026   41.750  194.376   24.089  249.915   35.745  282.655   18.235 -32.74097 40.12810 
1 1 1   10   21    7 o  154.182   12.101   55.073   7.6460   62.942   15.402   52.500   8.8080  159.954   20.604  148.410   12.699 11.54428 24.20288 
1 1 1   10   21    8 o   61.231   11.665   10.192   3.4785   3.8628   7.0310   12.243   4.0026   50.711   20.045   71.751   11.936 -21.04010 23.32994 
1 1 1   10   21    9 o  203.459   18.028  115.734   13.307   85.222   26.426  126.098   15.402  177.514   33.071  229.404   14.366 -51.89024 36.05613 
1 1 1   10   21   10 o  210.091   17.186  116.287   14.035   98.643   27.960  122.230   16.227  194.673   30.731  225.508   15.397 -30.83527 34.37291 
1 1 1   10   21   11 o  141.078   15.145   47.766   9.9856   0.0000   0.0000   47.766   9.9856  ?   ?   141.078   15.145      ?      ? 
1 1 1   10   21   12 o  103.426   13.163   29.339   5.0837   21.294   10.355   31.894   5.8353   90.806   24.027  116.046   10.759 -25.24052 26.32573 
1 1 1   10   21   13 o  269.980   19.317  180.616   23.157  200.534   40.175  170.706   28.338  277.771   30.948  262.190   23.126 15.58090 38.63394 
1 1 1   10   21   14 o   90.831   13.098   20.774   5.1436   19.411   8.9570   21.444   6.2828   87.008   22.011   94.654   14.203 -7.646416 26.19533 
1 1 1   10   21   15 o  169.257   15.189   73.218   11.053   63.809   19.101   77.955   13.552  158.777   25.741  179.737   16.134 -20.95950 30.37880 
1 1 1   10   21   16 o   58.706   13.041   8.3745   3.8513   7.8106   6.7587   8.6456   4.6866   58.519   20.269   58.893   16.414 -0.3743591 26.08136 
1 1 1   10   21   17 o  168.428   17.461   78.862   11.683   56.592   20.351   89.806   14.267  144.144   31.122  192.712   15.841 -48.56776 34.92153 
1 1 1   10   21   18 o   62.945   11.655   7.4805   3.1990   16.586   6.5940   4.6780   3.6583   80.913   17.911   44.977   14.919 35.93617 23.31052 
1 1 1   10   21   19 f  138.106   11.096   43.684   6.3001   51.781   12.729   41.057   7.2506  145.041   18.778  131.171   11.827 13.87016 22.19223 
1 1 1   10   21   20 o   93.420   13.093   30.020   5.2259   5.2005   10.420   38.360   6.0405   59.712   24.131  127.128   10.167 -67.41538 26.18550 
1 1 1   10   21   21 o   72.786   12.459   14.434   3.8234   9.6649   8.0757   15.812   4.3407   64.101   22.158   81.472   11.400 -17.37141 24.91887 
1 1 1   10   21   22 o  229.320   15.602  121.350   16.003  172.532   28.027   96.589   19.494  261.758   22.910  196.882   21.186 64.87650 31.20468 
1 1 1   10   21   23 o  119.921   10.653   31.609   5.4125   42.487   10.657   27.828   6.2832  131.950   17.282  107.892   12.461 24.05792 21.30579 
1 1 1   10   21   24 o   83.332   12.986   14.947   4.1448   23.028   9.4003   12.997   4.6180   94.314   21.768   72.350   14.164 21.96358 25.97104 
1 1 1   10   21   25 o  131.289   14.495   43.230   8.0121   43.333   14.215   43.181   9.6996  128.979   24.477  133.600   15.535 -4.621262 28.99094 
1 1 1   10   21   26 o   98.052   14.673   26.046   6.1366   19.652   11.057   28.892   7.3771   86.553   25.565  109.550   14.409 -22.99655 29.34626 
1 1 1   10   21   27 o  177.105   14.577   72.750   11.604  100.610   20.044   58.707   14.231  200.389   21.403  153.822   19.796 46.56602 29.15437 
1 1 1   10   21   28 o  102.241   15.285   29.584   6.7527   19.615   11.892   34.327   8.2034   85.570   26.770  118.911   14.761 -33.34155 30.56991 
1 1 1   10   21   29 o  355.241   29.888  375.952   47.072  434.740   81.554  346.581   57.644  362.568   48.130  347.915   35.452 14.65213 59.77696 
1 1 1   10   21   30 o  113.022   13.271   33.318   6.5157   26.626   10.210   37.916   8.4631  100.882   22.253  125.162   14.468 -24.28059 26.54276 
1 1 1   10   21   31 o   75.973   14.820   15.152   5.0058   15.703   5.7554   13.438   10.144   78.864   16.158   73.081   24.848 5.782883 29.63998 
1 1 1   10   21   32 o   37.843   11.318   0.6428   3.4483   0.6420   4.7996   0.6436   4.9576   37.571   15.882   38.115   16.128 -0.5439835 22.63524 
1 1 1   10   21   34 o  101.390   15.627   27.527   7.1958   30.114   9.9339   24.671   10.438  107.322   20.554   95.457   23.544 11.86511 31.25327 
1 1 1   10   21   35 o   85.219   16.745   18.561   6.4313   18.561   6.4313   0.0000   0.0000   85.219   16.745  ?   ?       ?      ? 
1 1 1   10   21   36 o  150.697   12.924   53.571   8.7687   43.939   10.775   72.455   15.088  132.458   17.406  168.936   19.110 -36.47874 25.84888 
1 1 1   10   21   37 o   58.223   12.051   7.9476   4.1499   14.855   5.7147   0.2412   6.0361   75.882   16.578   40.564   17.495 35.31754 24.10176 
1 1 1   10   21   38 f   71.452   15.020   15.093   5.9399   19.506   6.8661   1.9666   11.842   86.669   17.553   56.234   24.378 30.43556 30.03963 
1 1 1   10   21   39 o   46.258   14.232   0.3068   5.7622   2.1897   7.4586  -2.4808   9.0753   47.364   19.898   45.152   20.354 2.212009 28.46424 
1 1 1   10   21   40 o  133.466   13.395   42.516   7.4487   38.610   8.6085   54.152   14.859  124.656   14.776  142.277   22.346 -17.62063 26.78988 
1 1 1   10   21   41 o  128.313   13.591   39.031   7.4484   33.493   8.6880   54.390   14.470  114.843   16.187  141.782   21.837 -26.93877 27.18218 
1 1 1   10   21   42 o   93.713   15.323   22.166   5.9860   19.223   6.9646   30.489   11.711   84.877   18.109  102.548   24.723 -17.67107 30.64627 
1 1 1   10   21   43 o   80.801   18.421   19.448   8.2419   13.273   12.228   24.589   11.157   70.270   26.802   91.333   25.279 -21.06355 36.84266 
1 1 1   10   21   44 o   67.698   17.344   12.298   6.9281   16.286   11.179   9.8109   8.8278   73.958   26.040   61.437   22.916 12.52076 34.68787 
1 1 1   10   21   45 o   47.809   13.956   3.2425   4.9902   7.0098   8.0230   0.8654   6.3730   54.500   21.454   41.117   17.854 13.38359 27.91127 
1 1 1   10   21   46 o   98.671   16.288   33.425   6.8883   37.147   7.7502   19.428   15.030  121.039   13.701   76.302   29.555 44.73707 32.57655 
1 1 1   10   21   47 o   70.805   13.074   17.381   5.9176   23.918   6.4996 -14.2928   14.307   96.607   14.396   45.003   21.828 51.60362 26.14743 
1 1 1   10   21   48 o   74.069   16.873   12.151   5.3288   8.3875   5.8240   31.503   13.206   54.577   18.820   93.560   28.012 -38.98277 33.74697 
1 1 1   10   21   49 o   65.400   16.806   10.352   5.0874   8.1182   5.5120   23.194   13.218   53.389   18.315   77.411   28.185 -24.02204 33.61264 
1 1 1   10   21   50 o   56.383   14.776   9.6965   5.2025   10.640   6.9251   8.4745   7.8823   58.611   20.504   54.155   21.282 4.456257 29.55249 
1 1 1   10   21   51 f   85.560   16.450   27.506   7.5819   15.292   12.586   34.464   9.4990   64.267   26.314  106.854   19.749 -42.58692 32.90081 
1 1 1   10   21   52 o   59.887   13.889   11.554   5.0209   16.402   6.6212   4.9944   7.7022   72.533   19.223   47.241   20.052 25.29224 27.77811 
1 1 1   10   21   53 o   59.621   15.974   11.103   6.0500   20.665   10.241   5.9767   7.4983   71.690   24.943   47.551   19.962 24.13915 31.94742 
1 1 1   10   22    0 o  136.500   8.6461   44.945   7.6563   44.945   7.6563   44.945   7.6563  136.500   12.227  136.500   12.227 -0.000000 0.000000 
1 1 1   10   22    1 o  110.890   8.8317   28.833   4.5125   31.749   7.1210   26.876   5.8332  115.389   13.205  106.391   11.732 8.998520 17.66340 
1 1 1   10   22    2 o  167.534   10.967   69.353   8.2375   59.401   13.077   75.901   10.607  156.528   17.876  178.540   12.712 -22.01190 21.93437 
1 1 1   10   22    3 o   78.550   10.550   16.774   3.5931   9.1555   5.6825   21.849   4.6380   61.005   18.399   96.095   10.327 -35.08973 21.09961 
1 1 1   10   22    4 o   65.746   11.469   8.3817   3.2788   17.739   6.5538   5.2576   3.7868   84.246   17.227   47.247   15.146 36.99839 22.93841 
1 1 1   10   22    5 o  228.131   16.046  125.364   17.107   0.0000   0.0000  125.364   17.107  ?   ?   228.131   16.046      ?      ? 
1 1 1   10   22    6 o  132.323   10.723   37.527   5.8590   52.274   12.124   33.033   6.6924  146.803   17.671  117.843   12.152 28.96031 21.44558 
1 1 1   10   22    7 o   73.839   12.285   15.682   3.9160   7.5988   8.0632   18.177   4.4798   60.130   21.995   87.548   10.949 -27.41864 24.56940 
1 1 1   10   22    8 o   75.153   12.412   15.713   3.8828   9.6133   8.1434   17.507   4.4173   64.406   22.252   85.899   11.003 -21.49255 24.82358 
1 1 1   10   22    9 o  202.299   15.249  100.155   12.439  103.981   24.981   98.893   14.343  201.894   26.475  202.704   15.140 -0.8094635 30.49844 
1 1 1   10   22   10 o  161.610   17.809   78.484   10.152   47.004   20.225   89.087   11.738  130.153   33.157  193.066   13.009 -62.91368 35.61802 
1 1 1   10   22   11 o  185.791   14.930   82.081   12.429   98.536   21.482   73.802   15.238  198.071   23.207  173.512   18.791 24.55981 29.86055 
1 1 1   10   22   12 o  146.712   13.103   54.018   7.5913   50.243   15.280   55.255   8.7472  141.296   23.139  152.127   12.303 -10.83092 26.20678 
1 1 1   10   22   13 o  154.534   10.879   49.548   7.0326   78.007   14.435   40.692   8.0528  178.789   17.276  130.280   13.226 48.50896 21.75754 
1 1 1   10   22   14 o  111.629   12.089   29.071   6.0164   34.945   10.528   26.222   7.3315  119.101   18.914  104.157   15.061 14.94434 24.17805 
1 1 1   10   22   15 o   65.592   12.145   11.394   3.5038   7.6534   7.4947   12.440   3.9636   58.977   21.261   72.207   11.745 -13.23008 24.28990 
1 1 1   10   22   16 o  134.259   13.511   46.857   6.8322   41.201   13.760   48.707   7.8709  125.632   24.315  142.886   11.787 -17.25414 27.02140 
1 1 1   10   22   17 f  191.934   15.444   99.105   11.361   78.519   22.586  106.077   13.145  173.584   27.842  210.285   13.375 -36.70125 30.88781 
1 1 1   10   22   18 o  193.614   15.496   94.520   11.969   92.066   23.948   95.337   13.819  188.465   27.189  198.764   14.876 -10.29916 30.99266 
1 1 1   10   22   19 o  189.625   18.692  102.951   12.760   75.025   25.442  112.336   14.749  163.389   34.406  215.861   14.620 -52.47235 37.38305 
1 1 1   10   22   20 o  212.485   19.961  125.701   17.144   97.999   29.552  139.754   21.048  186.661   35.166  238.309   18.898 -51.64803 39.92235 
1 1 1   10   22   21 o  113.942   14.853   35.731   7.0656   24.872   12.056   41.411   8.7201   96.701   26.079  131.183   14.223 -34.48186 29.70586 
1 1 1   10   22   22 o  249.828   18.621  155.629   20.714  177.175   35.897  144.874   25.362  259.378   29.613  240.277   22.585 19.10037 37.24271 
1 1 1   10   22   23 o   76.539   13.036   15.325   4.4746   13.010   7.6585   16.525   5.5136   71.513   21.313   81.564   15.017 -10.05044 26.07272 
1 1 1   10   22   24 o  143.426   14.616   57.625   7.6634   41.385   15.084   63.275   8.8972  124.114   26.790  162.739   11.698 -38.62456 29.23275 
1 1 1   10   22   25 o  123.208   12.993   35.890   7.0404   42.946   12.662   32.732   8.4706  130.594   20.746  115.823   15.649 14.77187 25.98597 
1 1 1   10   22   26 o   81.623   16.814   16.880   6.2005   0.0000   0.0000   16.880   6.2005  ?   ?    81.623   16.814      ?      ? 
1 1 1   10   22   27 o  124.806   12.752   32.973   6.7103   24.097   7.8507   57.042   12.928   97.616   17.867  151.997   18.199 -54.38071 25.50339 
1 1 1   10   22   28 o  243.183   14.833  129.304   15.623   83.926   18.767  231.712   28.193  181.846   22.083  304.521   19.810 -122.6748 29.66655 
1 1 1   10   22   29 o   89.530   13.722   20.272   5.5426   24.935   8.5615   16.907   7.2723   98.405   19.306   80.655   19.506 17.75010 27.44455 
1 1 1   10   22   30 o  126.364   15.277   39.758   8.5765   27.508   11.114   57.789   13.484  100.992   23.917  151.736   19.015 -50.74381 30.55495 
1 1 1   10   22   31 o   82.743   12.811   18.160   4.6962   14.927   8.0083   19.854   5.7977   75.110   21.636   90.376   13.727 -15.26530 25.62284 
1 1 1   10   22   32 o   81.845   14.631   17.677   5.6962   13.219   7.9175   22.460   8.2013   70.936   21.786   92.755   19.536 -21.81976 29.26222 
1 1 1   10   22   33 o   54.151   12.947   7.1805   3.8770   8.2056   4.7962   5.2480   6.5854   56.826   16.851   51.476   19.660 5.350567 25.89360 
1 1 1   10   22   34 o  178.673   18.668   94.393   13.298  109.568   16.496   66.228   22.474  209.460   16.851  147.885   33.317 61.57489 37.33596 
1 1 1   10   22   35 f   70.044   14.284   13.135   4.8507   13.820   6.0323   11.883   8.1597   72.668   17.883   67.420   22.277 5.247917 28.56717 
1 1 1   10   22   36 o  137.533   17.805   52.315   11.080   54.570   14.910   49.534   16.558  143.784   22.189  131.281   27.851 12.50330 35.60924 
1 1 1   10   22   37 o   81.355   14.674   13.798   5.3057   8.2197   6.1431   30.179   10.526   57.304   19.337  105.406   22.076 -48.10167 29.34729 
1 1 1   10   22   38 o   84.259   16.012   18.783   6.0664   17.011   7.2730   22.833   10.997   79.445   19.688   89.072   25.257 -9.626869 32.02380 
1 1 1   10   22   39 o  123.145   14.290   36.658   7.6667   27.084   9.3046   56.899   13.530   99.483   20.687  146.808   19.720 -47.32500 28.58049 
1 1 1   10   22   40 o   75.453   15.744   16.705   5.9412   18.757   7.0926   11.880   10.877   83.537   18.640   67.369   25.377 16.16796 31.48741 
1 1 1   10   22   41 o   83.895   15.610   20.977   7.0933   31.058   9.3489   7.2991   10.889  107.605   19.299   60.185   24.541 47.42063 31.22035 
1 1 1   10   22   42 o   74.819   18.279   16.428   7.7763   19.826   11.604   13.657   10.477   80.364   26.566   69.274   25.113 11.09003 36.55706 
1 1 1   10   22   43 o   95.186   16.656   25.050   6.7834   33.698   12.948   21.778   7.9638  102.671   26.724   87.701   19.888 14.97009 33.31223 
1 1 1   10   22   44 o  132.497   16.264   49.548   9.5572   44.241   11.964   58.910   15.888  126.152   20.292  138.842   25.423 -12.69087 32.52810 
1 1 1   10   22   45 o   77.577   13.031   17.064   4.6789   19.471   6.2660   14.031   7.0343   85.266   16.319   69.888   20.320 15.37814 26.06165 
1 1 1   10   22   46 o   58.547   13.879   9.8849   4.4403   10.035   5.7426   9.6622   7.0021   59.145   18.618   57.950   20.587 1.195053 27.75730 
1 1 1   10   22   47 o   42.221   11.748   2.1022   4.0755   7.8236   5.2759  -6.3637   6.4176   52.702   17.919   31.741   15.196 20.96115 23.49534 
1 1 1   10   22   48 o  109.793   16.570   42.881   8.4466   53.370   10.818   26.500   13.519  138.598   16.701   80.989   28.623 57.60923 33.13939 
1 1 1   10   22   49 o   37.850   12.098  -0.9028   4.7438   3.0124   5.3193 -16.1164   10.486   40.826   16.950   34.875   17.265 5.950882 24.19509 
1 1 1   10   22   50 o   57.930   15.539   10.364   5.2457   10.295   5.8560   10.646   11.802   57.981   18.858   57.878   24.701 0.1029663 31.07723 
1 1 1   10   22   51 o   62.096   13.309   13.473   6.5565   23.307   7.4088 -22.0448   14.080   86.645   18.834   37.546   18.810 49.09895 26.61800 
1 1 1   10   23    0 o  474.780   29.383  604.348   90.578  604.348   90.578  604.348   90.578  474.780   41.554  474.780   41.554 -0.000000 0.000000 
1 1 1   10   23    1 o  165.365   14.081   66.545   10.284   71.284   17.924   64.220   12.556  168.242   22.796  162.489   16.534 5.752426 28.16109 
1 1 1   10   23    2 o  137.018   10.488   45.510   6.6429   53.615   9.4753   37.677   9.3158  149.424   13.568  124.610   15.996 24.81417 20.97582 
1 1 1   10   23    3 o  220.511   12.161  118.922   12.248  117.441   19.390  119.906   15.799  218.328   19.003  222.695   15.181 -4.366684 24.32248 
1 1 1   10   23    4 o  179.533   12.324   70.780   9.2253   97.588   18.732   62.195   10.600  198.325   20.210  160.742   14.110 37.58295 24.64798 
1 1 1   10   23    5 o  151.547   13.690   56.828   9.0187   56.353   15.884   57.054   10.956  149.534   22.729  153.560   15.266 -4.026825 27.38013 
1 1 1   10   23    6 f  130.475   14.516   41.058   8.8512   0.0000   0.0000   41.058   8.8512  ?   ?   130.475   14.516      ?      ? 
1 1 1   10   23    7 f  243.432   20.471  147.325   23.289   0.0000   0.0000  147.325   23.289  ?   ?   243.432   20.471      ?      ? 
1 1 1   10   23    8 o  269.445   28.175  242.360   25.662  144.038   51.159  275.418   29.665  204.613   53.055  334.277   18.988 -129.6647 56.35089 
1 1 1   10   23    9 o  115.121   13.328   33.118   6.6148   32.855   11.237   33.257   8.1828  112.896   22.089  117.347   14.921 -4.451324 26.65602 
1 1 1   10   23   10 o  119.838   12.120   35.279   5.7448   35.762   11.290   35.110   6.6733  118.346   21.191  121.329   11.769 -2.982964 24.23961 
1 1 1   10   23   11 o   65.309   13.200   11.249   4.2939   7.0664   7.3965   13.375   5.2735   57.635   21.069   72.983   15.910 -15.34809 26.40081 
1 1 1   10   23   12 o  177.931   17.890   81.221   14.809   74.053   21.138   88.131   20.754  169.314   26.713  186.549   23.804 -17.23541 35.78018 
1 1 1   10   23   13 f  231.351   18.178  141.786   16.447  127.213   32.842  146.663   19.001  217.104   32.369  245.598   16.554 -28.49350 36.35602 
1 1 1   10   23   14 o  130.739   15.196   46.785   8.1215   33.652   13.845   53.675   10.028  112.194   26.777  149.284   14.373 -37.08954 30.39119 
1 1 1   10   23   15 o  174.219   14.700   77.032   10.097   72.179   20.346   78.617   11.630  167.544   25.984  180.895   13.757 -13.35187 29.40097 
1 1 1   10   23   16 o  117.052   14.658   37.106   7.0694   27.944   12.314   41.610   8.6340  102.565   25.732  131.539   14.045 -28.97420 29.31554 
1 1 1   10   23   17 o  259.456   18.186  160.636   21.185  219.695   36.755  131.255   25.924  291.561   26.974  227.350   24.399 64.21156 36.37161 
1 1 1   10   23   18 o   95.779   12.120   21.747   4.5535   24.728   9.3895   20.831   5.2068   98.100   21.106   93.457   11.921 4.642242 24.24004 
1 1 1   10   23   19 o   96.384   12.645   21.196   5.3745   30.753   9.3773   16.520   6.5587  112.048   17.907   80.720   17.859 31.32738 25.29044 
1 1 1   10   23   20 o  302.191   24.368  257.373   31.714  242.833   54.894  264.658   38.855  285.125   41.195  319.257   26.041 -34.13165 48.73586 
1 1 1   10   23   21 o   70.010   12.342   11.269   3.6605   15.767   7.1847   9.6921   4.2539   78.019   19.701   62.001   14.872 16.01736 24.68379 
1 1 1   10   23   22 o   91.835   13.479   20.420   5.3950   26.570   9.2694   17.270   6.6344  101.438   20.262   82.233   17.781 19.20530 26.95739 
1 1 1   10   23   23 o  162.127   17.819   68.927   12.835   51.401   17.729   88.228   18.606  137.123   28.592  187.130   21.275 -50.00699 35.63867 
1 1 1   10   23   24 o  188.424   15.517   79.525   11.978  152.461   20.869   43.694   14.627  248.639   17.959  128.209   25.310 120.4299 31.03388 
1 1 1   10   23   25 o   42.745   17.627   1.7929   5.6974   0.0000   0.0000   1.7929   5.6974  ?   ?    42.745   17.627      ?      ? 
1 1 1   10   23   26 o  184.609   17.774   84.561   15.335   0.0000   0.0000   84.561   15.335  ?   ?   184.609   17.774      ?      ? 
1 1 1   10   23   27 o  258.127   21.140  193.013   20.756  161.261   41.181  203.826   24.032  230.276   38.266  285.977   17.981 -55.70088 42.27982 
1 1 1   10   23   28 o  113.016   13.337   33.109   6.3984   30.657   10.963   34.375   7.8798  107.273   22.581  118.759   14.197 -11.48560 26.67314 
1 1 1   10   23   29 o  178.092   18.796   86.329   15.144   74.586   21.341   98.240   21.493  162.844   29.109  193.341   23.787 -30.49765 37.59222 
1 1 1   10   23   30 o  194.023   18.187   94.604   16.491   94.604   16.491   0.0000   0.0000  194.023   18.187  ?   ?       ?      ? 
1 1 1   10   23   31 o   88.482   16.112   19.918   6.4171   19.918   6.4171   0.0000   0.0000   88.482   16.112  ?   ?       ?      ? 
1 1 1   10   23   32 o   44.263   11.818   3.0635   3.5355  -0.0957   4.8497   6.6472   5.1652   36.116   15.629   52.409   17.731 -16.29314 23.63560 
1 1 1   10   23   33 o  100.655   12.432   26.232   5.6295   30.447   7.8067   21.665   8.1255  110.935   15.058   90.374   19.787 20.56113 24.86452 
1 1 1   10   23   34 o  226.959   14.642  134.812   15.356  155.557   21.707  114.027   21.728  246.549   18.839  207.370   22.420 39.17914 29.28383 
1 1 1   10   23   35 o  157.445   13.236   58.056   9.2972   42.167   11.415   89.360   16.023  127.954   19.089  186.936   18.340 -58.98204 26.47198 
1 1 1   10   23   36 o   94.210   17.123   25.308   7.1491   24.976   13.320   25.443   8.4728   90.795   28.319   97.625   19.255 -6.829872 34.24506 
1 1 1   10   23   37 o   44.640   11.937   2.1708   4.5126   8.3239   4.9981 -24.9636   10.496   56.387   17.308   32.893   16.443 23.49366 23.87366 
1 1 1   10   23   38 o  107.152   17.787   29.649   8.9072   29.649   8.9072   0.0000   0.0000  107.152   17.787  ?   ?       ?      ? 
1 1 1   10   23   39 o  207.160   28.005  156.506   26.139  202.796   37.045  110.606   36.888  255.059   31.077  159.260   46.598 95.79915 56.01024 
1 1 1   10   23   40 o   61.887   25.077   8.8793   11.285   8.8793   11.285   0.0000   0.0000   61.887   25.077  ?   ?       ?      ? 
1 1 1   10   23   41 o  139.555   19.231   61.571   12.315   92.749   18.256   35.541   16.681  180.758   21.611   98.352   31.816 82.40652 38.46162 
1 1 1   10   23   42 o   47.758   14.580  -0.5732   6.7048 -12.5021   10.320   8.1386   8.8196   38.199   18.530   57.317   22.516 -19.11779 29.16044 
1 1 1   10   23   43 o   62.038   16.079   10.789   6.1789   12.583   8.0446   8.2091   9.6492   65.828   22.129   58.249   23.333 7.579819 32.15737 
1 1 1   10   23   44 o   60.140   16.044   9.5445   6.3508   4.5480   8.4574   16.005   9.6167   49.886   21.085   70.395   24.189 -20.50888 32.08843 
1 1 1   10   23   45 o   61.571   12.337   10.914   4.6170   18.768   6.1330   0.6398   7.0141   81.965   16.580   41.177   18.274 40.78770 24.67422 
1 1 1   10   23   46 o   65.192   15.778   12.277   5.2045   10.194   6.0164   18.471   10.374   58.333   19.122   72.052   25.102 -13.71893 31.55571 
1 1 1   10   23   47 o   42.234   13.332   1.4504   4.7460   1.3267   5.4590   1.8333   9.6050   38.088   16.531   46.380   20.921 -8.292244 26.66400 
1 1 1   10   23   48 o   61.024   13.332   11.810   4.6181   15.918   6.0048   5.8630   7.2253   73.391   17.710   48.657   19.932 24.73425 26.66336 
1 1 1   10   23   49 o   54.790   17.010   9.0289   8.1598   12.006   13.269   7.2180   10.348   57.838   25.423   51.742   22.604 6.096062 34.01908 
1 1 1   10   24    0 o  246.415   11.680  146.604   18.826  146.604   18.826  146.604   18.826  246.415   16.518  246.415   16.518 -0.000000 0.000000 
1 1 1   10   24    1 o   62.254   10.573   10.089   3.1518   12.632   4.0533   6.2002   5.0126   72.762   11.920   51.746   17.467 21.01558 21.14682 
1 1 1   10   24    2 o   85.619   12.500   21.856   5.0919   31.569   6.4254   5.4581   8.3486  115.018   11.953   56.221   21.958 58.79673 25.00068 
1 1 1   10   24    3 o   74.932   10.614   13.753   3.6474   11.252   5.0133   16.565   5.3163   66.818   16.218   83.047   13.698 -16.22954 21.22849 
1 1 1   10   24    4 o   58.617   13.518   8.0396   4.0694   9.0655   7.1004   7.5379   4.9659   61.694   20.789   55.541   17.286 6.152866 27.03698 
1 1 1   10   24    5 o  139.676   12.973   47.268   7.9537   49.667   13.978   46.120   9.6722  141.152   21.189  138.201   14.975 2.951218 25.94683 
1 1 1   10   24    6 o  316.871   32.243  330.063   35.379  238.538   70.736  360.597   40.857  255.657   60.198  378.085   23.122 -122.4277 64.48638 
1 1 1   10   24    7 o  128.206   14.728   43.670   7.7864   35.273   13.482   47.872   9.5378  115.458   25.652  140.954   14.479 -25.49659 29.45607 
1 1 1   10   24    8 o  100.739   14.807   24.484   6.9714   0.0000   0.0000   24.484   6.9714  ?   ?   100.739   14.807      ?      ? 
1 1 1   10   24    9 o   76.237   13.729   15.706   4.8889   10.763   8.3837   18.253   6.0181   66.818   22.590   85.655   15.609 -18.83650 27.45772 
1 1 1   10   24   10 o  229.386   21.659  153.679   17.756  113.242   35.454  167.217   20.514  196.580   39.953  262.193   16.741 -65.61343 43.31858 
1 1 1   10   24   11 o   93.107   13.762   25.654   5.8177   9.8981   9.8229   34.168   7.2203   66.733   24.297  119.482   12.930 -52.74970 27.52347 
1 1 1   10   24   12 o  117.005   15.039   46.230   6.7307   14.620   13.055   57.673   7.8550   78.223   28.076  155.788   10.789 -77.56499 30.07774 
1 1 1   10   24   13 o   82.426   12.537   17.866   4.3017   14.602   8.2171   19.098   5.0487   75.414   21.972   89.438   12.079 -14.02419 25.07328 
1 1 1   10   24   14 o  165.104   13.638   64.775   10.087   76.784   17.411   58.707   12.376  175.194   21.265  155.013   17.083 20.18114 27.27692 
1 1 1   10   24   15 o   40.280   10.724   2.5253   3.1297  -7.3011   6.5078   5.4817   3.5696   33.064   15.680   47.496   14.635 -14.43185 21.44883 
1 1 1   10   24   16 o  123.119   15.020   43.952   6.7329   29.676   13.695   48.502   7.7318  103.875   27.702  142.363   11.621 -38.48818 30.04058 
1 1 1   10   24   17 o  208.603   17.931  116.645   16.042  103.485   27.718  123.273   19.671  194.649   30.470  222.557   18.913 -27.90804 35.86210 
1 1 1   10   24   18 o  311.848   28.099  294.455   32.149  265.651   64.330  304.044   37.117  278.784   51.264  344.913   23.026 -66.12946 56.19741 
1 1 1   10   24   19 o   96.256   11.718   20.546   4.5481   28.640   9.3381   18.029   5.2075  105.891   19.591   86.620   12.864 19.27040 23.43679 
1 1 1   10   24   20 o   79.229   10.727   11.301   3.6301   29.212   7.3874   5.5995   4.1680  109.863   14.388   48.596   15.915 61.26688 21.45465 
1 1 1   10   24   21 o  107.291   14.915   27.983   7.4787   0.0000   0.0000   27.983   7.4787  ?   ?   107.291   14.915      ?      ? 
1 1 1   10   24   22 o  117.387   15.147   33.633   8.3100   0.0000   0.0000   33.633   8.3100  ?   ?   117.387   15.147      ?      ? 
1 1 1   10   24   23 o  181.460   17.937   81.976   15.212   0.0000   0.0000   81.976   15.212  ?   ?   181.460   17.937      ?      ? 
1 1 1   10   24   24 o   87.560   13.053   18.557   5.3416   0.0000   0.0000   18.557   5.3416  ?   ?    87.560   13.053      ?      ? 
1 1 1   10   24   25 o  210.474   29.773  123.399   29.286   0.0000   0.0000  123.399   29.286  ?   ?   210.474   29.773      ?      ? 
1 1 1   10   24   26 o  206.051   29.257  118.126   28.174   0.0000   0.0000  118.126   28.174  ?   ?   206.051   29.257      ?      ? 
1 1 1   10   24   27 o  150.557   17.011   60.037   11.540   73.628   17.028   48.492   15.695  168.687   21.599  132.426   26.287 36.26125 34.02218 
1 1 1   10   24   28 o   60.128   13.978   8.1637   4.3234   6.1524   5.2218   12.547   7.7093   51.219   17.812   69.037   21.546 -17.81768 27.95532 
1 1 1   10   24   29 o   75.140   13.211   14.846   4.6144   14.675   6.3382   15.039   6.7312   74.809   18.283   75.472   19.075 -0.6626053 26.42207 
1 1 1   10   24   30 o   96.653   10.712   22.343   4.6230   30.302   7.4453   17.350   5.8976  110.957   14.358   82.349   15.900 28.60831 21.42316 
1 1 1   10   24   31 o  108.756   12.302   30.046   6.1019   26.952   8.3685   33.558   8.9164  101.795   18.262  115.717   16.487 -13.92285 24.60303 
1 1 1   10   24   32 o   56.116   13.241   7.7663   4.2835   10.754   5.7560   4.0585   6.4127   63.961   18.319   48.271   19.124 15.69001 26.48210 
1 1 1   10   24   33 o  189.320   12.813   93.085   10.914   65.870   15.283  121.409   15.591  158.106   20.684  220.534   15.127 -62.42851 25.62520 
1 1 1   10   24   34 o   83.670   16.439   17.373   5.9584   14.327   6.8497   26.846   12.079   72.444   19.708   94.897   26.317 -22.45245 32.87834 
1 1 1   10   24   35 o  135.158   16.219   46.482   10.245   46.482   10.245   0.0000   0.0000  135.158   16.219  ?   ?       ?      ? 
1 1 1   10   24   36 o   91.607   15.690   22.757   6.2237   21.529   7.4168   25.679   11.442   89.873   18.280   93.340   25.505 -3.467056 31.37953 
1 1 1   10   24   37 o  129.185   28.030   50.989   16.437   50.989   16.437   0.0000   0.0000  129.185   28.030  ?   ?       ?      ? 
1 1 1   10   24   39 f   64.936   25.283   12.064   11.043   12.064   11.043   0.0000   0.0000   64.936   25.283  ?   ?       ?      ? 
1 1 1   10   24   40 f   76.393   18.849   18.481   8.3713   22.251   11.978   14.882   11.705   82.754   26.973   70.032   26.335 12.72266 37.69760 
1 1 1   10   24   41 o   64.724   14.233   11.861   4.8052   9.7020   6.6322   14.248   6.9716   59.107   20.091   70.341   20.165 -11.23406 28.46567 
1 1 1   10   24   42 o   32.642   10.642  -2.5572   3.7698  -3.1790   5.5357  -2.0195   5.1479   32.529   15.115   32.755   14.986 -0.2262268 21.28461 
1 1 1   10   24   43 o   90.246   13.031   23.151   5.2890   27.683   8.0116   19.650   7.0415   98.511   18.068   81.982   18.781 16.52856 26.06100 
1 1 1   10   24   44 o  128.204   16.647   52.889   9.1852   53.887   11.462   51.099   15.357  137.906   17.783  118.502   28.146 19.40452 33.29374 
1 1 1   10   24   45 o   56.659   14.953   8.7260   4.7653   7.0129   5.5114   13.799   9.4847   49.931   18.197   63.387   23.732 -13.45512 29.90538 
1 1 1   10   24   46 o   42.011   13.369  -3.3564   6.3328 -17.7062   9.7921   6.9608   8.3029   32.599   16.230   51.422   21.249 -18.82370 26.73842 
1 1 1   10   24   47 o   60.654   17.991   13.126   8.2026   19.624   14.107   9.8063   10.082   66.209   27.556   55.099   23.140 11.11000 35.98293 
1 1 1   10   24   48 f  104.872   21.110   36.183   9.9884   36.183   9.9884   0.0000   0.0000  104.872   21.110  ?   ?       ?      ? 
1 1 1   10   25    0 o  173.433   9.7622   72.621   11.027   72.621   11.027   72.621   11.027  173.433   13.806  173.433   13.806 -0.000000 0.000000 
1 1 1   10   25    1 o  134.721   8.4745   43.412   5.3179   47.754   7.5611   39.162   7.4807  141.528   11.431  127.913   12.514 13.61501 16.94898 
1 1 1   10   25    2 o  326.542   17.920  276.332   26.574  262.308   42.017  285.682   34.308  315.667   28.481  337.418   21.756 -21.75046 35.83951 
1 1 1   10   25    3 o   86.012   12.721   18.932   4.3231   17.516   8.9194   19.367   4.9425   81.958   22.569   90.066   11.742 -8.108398 25.44119 
1 1 1   10   25    4 o   54.537   12.481   5.7590   3.1750   10.750   6.7385   4.3350   3.5996   65.399   20.100   43.675   14.802 21.72387 24.96233 
1 1 1   10   25    5 f  102.243   14.590   25.282   6.9718   0.0000   0.0000   25.282   6.9718  ?   ?   102.243   14.590      ?      ? 
1 1 1   10   25    6 o  146.051   16.787   61.449   9.7170   39.689   16.831   72.327   11.901  119.315   30.167  172.786   14.737 -53.47093 33.57393 
1 1 1   10   25    7 o  172.557   19.145   88.271   12.910   55.759   22.319  104.618   15.826  138.305   34.613  206.808   16.374 -68.50284 38.29059 
1 1 1   10   25    8 o  293.346   24.242  241.937   31.012  244.347   53.640  240.727   38.009  284.685   40.317  302.006   26.929 -17.32111 48.48306 
1 1 1   10   25    9 o   83.446   15.295   18.389   6.3001   11.154   8.9920   25.364   8.8297   67.608   23.381   99.285   19.724 -31.67683 30.58955 
1 1 1   10   25   10 o  143.303   13.579   50.307   8.6342   54.137   14.916   48.376   10.589  146.001   21.860  140.604   16.114 5.397400 27.15712 
1 1 1   10   25   11 o   59.153   17.564   8.7944   5.2084   0.0000   0.0000   8.7944   5.2084  ?   ?    59.153   17.564      ?      ? 
1 1 1   10   25   12 o  165.119   15.248   72.218   9.5139   63.548   18.975   75.129   10.996  153.642   27.432  176.597   13.323 -22.95486 30.49648 
1 1 1   10   25   13 o   84.511   13.625   17.907   5.0652   19.986   8.6438   16.820   6.2509   87.518   21.328   81.503   16.963 6.014984 27.25095 
1 1 1   10   25   14 o   61.780   14.283   8.2449   5.4854   15.537   7.4402  -0.4391   8.1192   77.435   20.308   46.126   20.090 31.30947 28.56632 
1 1 1   10   25   15 o   83.310   15.216   18.067   6.0042   15.075   8.3005   21.351   8.6957   76.071   22.060   90.548   20.962 -14.47701 30.43162 
1 1 1   10   25   16 o  150.159   12.185   54.126   8.5513   0.0000   0.0000   54.126   8.5513  ?   ?   150.159   12.185      ?      ? 
1 1 1   10   25   17 o   60.236   14.345   9.1491   3.9803   0.0000   0.0000   9.1491   3.9803  ?   ?    60.236   14.345      ?      ? 
1 1 1   10   25   18 o   81.592   16.074   16.855   5.9113   0.0000   0.0000   16.855   5.9113  ?   ?    81.592   16.074      ?      ? 
1 1 1   10   25   19 o   68.115   21.785   11.927   7.8374   0.0000   0.0000   11.927   7.8374  ?   ?    68.115   21.785      ?      ? 
1 1 1   10   25   22 o   83.351   22.888   18.747   9.1883   0.0000   0.0000   18.747   9.1883  ?   ?    83.351   22.888      ?      ? 
1 1 1   10   25   23 o  220.241   22.537  139.702   23.180  144.761   32.783  134.644   32.779  225.152   31.155  215.329   32.572 9.822281 45.07353 
1 1 1   10   25   24 o  166.960   18.869   76.757   14.297   68.526   20.251   84.935   20.187  155.227   28.981  178.692   24.172 -23.46536 37.73881 
1 1 1   10   25   25 o   56.267   15.341   6.4161   5.7334   5.0639   8.3109   7.6442   7.9199   54.190   21.673   58.343   21.717 -4.152275 30.68149 
1 1 1   10   25   26 o   68.160   14.513   12.264   4.3779   10.191   10.384   12.713   4.8280   65.767   24.791   70.552   15.098 -4.785820 29.02649 
1 1 1   10   25   27 o  154.884   18.606   75.115   10.270   50.487   20.984   82.873   11.778  125.903   34.595  183.865   13.706 -57.96170 37.21144 
1 1 1   10   25   28 o  170.851   15.316   73.130   11.421   87.749   20.774   66.797   13.673  179.569   24.753  162.132   18.045 17.43759 30.63235 
1 1 1   10   25   29 o  140.988   16.052   54.531   9.4794   56.783   11.621   50.053   16.387  150.268   16.548  131.708   27.510 18.55898 32.10335 
1 1 1   10   25   30 o  314.765   17.824  277.136   25.497  212.983   35.913  342.342   36.206  271.028   28.353  358.503   21.610 -87.47501 35.64898 
1 1 1   10   25   31 o   82.611   13.649   18.381   5.1754   16.331   7.0651   20.754   7.6026   77.446   19.525   87.776   19.078 -10.32938 27.29788 
1 1 1   10   25   32 f   73.208   13.183   14.448   4.5095   13.923   6.1117   15.075   6.6809   71.944   18.172   74.472   19.103 -2.527786 26.36535 
1 1 1   10   25   33 o   86.517   19.554   22.637   9.1344   27.974   12.903   17.274   12.933   96.035   27.401   77.000   27.904 19.03524 39.10781 
1 1 1   10   25   34 o  196.744   26.933  138.189   23.954  101.843   33.986  174.066   33.766  156.404   44.418  237.085   30.474 -80.68053 53.86676 
1 1 1   10   25   35 o   50.846   15.623   0.8263   7.2067   6.9901   10.130  -5.4897   10.255   57.898   23.646   43.794   20.423 14.10427 31.24513 
1 1 1   10   25   36 o   41.142   12.937   0.0303   4.3885   1.0056   8.7524  -0.2972   5.0721   46.695   20.583   35.589   15.679 11.10656 25.87396 
1 1 1   10   25   37 o   45.892   13.642   3.1297   4.8489  -1.5299   9.2836   4.8778   5.6862   44.735   20.334   47.049   18.192 -2.314224 27.28371 
1 1 1   10   25   38 o   48.928   11.706   3.5561   4.0478  -4.9048   5.7012   12.157   5.7480   31.597   14.891   66.260   18.065 -34.66337 23.41156 
1 1 1   10   25   39 o   79.467   16.214   20.011   6.2831   21.322   7.5225   16.987   11.426   86.706   19.082   72.229   26.219 14.47690 32.42781 
1 1 1   10   25   40 o   62.854   15.290   10.755   5.2872   7.2204   6.4943   17.704   9.1051   51.986   19.603   73.722   23.470 -21.73557 30.57980 
1 1 1   10   25   41 o   85.400   13.669   21.532   5.3253   20.141   7.3310   23.087   7.7487   82.341   19.374   88.459   19.287 -6.117958 27.33729 
1 1 1   10   25   42 o   73.536   16.734   15.351   5.9908   10.743   6.9686   28.404   11.728   58.940   20.572   88.132   26.400 -29.19169 33.46839 
1 1 1   10   25   43 o   59.462   15.183   11.736   5.7340   14.179   6.7316   5.2780   10.946   67.274   19.967   51.650   22.879 15.62386 30.36633 
1 1 1   10   25   44 o   51.656   14.704   7.3003   5.1108   6.3490   10.244   7.6155   5.8971   52.008   22.610   51.304   18.803 0.7034836 29.40701 
1 1 1   10   25   45 o   50.549   15.142   6.5170   5.9330   4.5982   7.3518   10.101   10.047   45.745   19.509   55.352   23.164 -9.607189 30.28481 
1 1 1   10   26    0 o   28.187   11.539   2.3740   3.4984   2.3740   3.4984   2.3740   3.4984   28.187   16.319   28.187   16.319 -0.000000 0.000000 
1 1 1   10   26    1 o   37.015   9.7208   2.3547   2.3373   0.5936   3.3389   4.0469   3.2730   32.001   13.370   42.028   14.115 -10.02665 19.44160 
1 1 1   10   26    2 o   79.023   13.133   17.143   4.3135   12.134   9.0002   18.637   4.9148   69.811   23.406   88.235   11.918 -18.42361 26.26615 
1 1 1   10   26    3 o   92.339   11.995   19.110   4.4507   26.104   9.1670   16.954   5.0910  100.711   20.180   83.967   12.973 16.74427 23.99012 
1 1 1   10   26    4 o   65.422   12.416   9.4422   3.5279   14.862   6.9635   7.5705   4.0920   75.872   19.524   54.971   15.343 20.90101 24.83169 
1 1 1   10   26    5 o   52.771   12.579   4.4845   3.3704   11.586   6.8940   2.2541   3.8636   67.401   20.252   38.141   14.926 29.25970 25.15829 
1 1 1   10   26    6 o  117.169   11.953   32.893   6.5451   0.0000   0.0000   32.893   6.5451  ?   ?   117.169   11.953      ?      ? 
1 1 1   10   26    7 o  107.730   11.658   27.787   5.8694   0.0000   0.0000   27.787   5.8694  ?   ?   107.730   11.658      ?      ? 
1 1 1   10   26    8 f  101.760   12.100   24.857   5.7545   0.0000   0.0000   24.857   5.7545  ?   ?   101.760   12.100      ?      ? 
1 1 1   10   26    9 o   91.111   15.143   20.248   6.4481   0.0000   0.0000   20.248   6.4481  ?   ?    91.111   15.143      ?      ? 
1 1 1   10   26   11 o  104.650   23.044   29.177   10.966   0.0000   0.0000   29.177   10.966  ?   ?   104.650   23.044      ?      ? 
1 1 1   10   26   12 o  150.566   23.766   59.087   16.723   0.0000   0.0000   59.087   16.723  ?   ?   150.566   23.766      ?      ? 
1 1 1   10   26   13 f   95.631   23.904   24.740   10.654   0.0000   0.0000   24.740   10.654  ?   ?    95.631   23.904      ?      ? 
1 1 1   10   26   17 f  100.947   23.024   27.463   10.622   27.463   10.622   0.0000   0.0000  100.947   23.024  ?   ?       ?      ? 
1 1 1   10   26   18 o  109.104   23.130   32.065   11.428   32.065   11.428   0.0000   0.0000  109.104   23.130  ?   ?       ?      ? 
1 1 1   10   26   19 o  174.051   25.869   81.877   21.042   81.877   21.042   0.0000   0.0000  174.051   25.869  ?   ?       ?      ? 
1 1 1   10   26   20 o  171.526   18.387   79.790   14.717   85.794   21.302   74.308   20.358  178.058   25.598  164.995   26.401 13.06285 36.77305 
1 1 1   10   26   21 o  106.584   15.335   32.750   6.7969   23.656   12.444   36.616   8.1141   91.012   27.178  122.156   14.213 -31.14386 30.67014 
1 1 1   10   26   22 o   75.536   15.497   15.847   5.6499   12.563   10.433   17.210   6.7208   69.983   25.101   81.089   18.183 -11.10605 30.99453 
1 1 1   10   26   23 o  147.456   14.327   56.067   9.1634   56.590   16.182   55.819   11.118  145.212   23.845  149.699   15.891 -4.487259 28.65479 
1 1 1   10   26   24 o  122.101   16.301   41.617   8.3790   36.253   14.656   44.222   10.213  111.359   28.148  132.843   16.450 -21.48364 32.60175 
1 1 1   10   26   25 o   66.149   14.898   10.239   5.0043   16.545   8.7943   7.2186   6.0856   77.557   22.769   54.740   19.217 22.81621 29.79511 
1 1 1   10   26   26 o  110.080   16.306   34.727   7.7253   28.513   13.578   37.701   9.3940   97.811   28.172  122.349   16.429 -24.53842 32.61205 
1 1 1   10   26   27 f  116.813   14.847   33.489   7.6165   49.730   13.377   25.699   9.2648  136.727   20.935   96.899   21.060 39.82740 29.69469 
1 1 1   10   26   28 o  145.219   13.710   53.257   8.7960   62.922   15.582   48.737   10.656  152.231   21.901  138.208   16.498 14.02327 27.41983 
1 1 1   10   26   29 o  110.799   16.801   35.243   8.0237   32.739   14.330   36.386   9.6840  102.740   28.726  118.858   17.433 -16.11874 33.60189 
1 1 1   10   26   30 o  126.675   16.626   43.673   9.0274   48.305   15.916   41.476   10.961  127.189   27.571  126.162   18.590 1.027611 33.25269 
1 1 1   10   26   31 o   68.068   15.956   10.734   5.2001   18.722   10.842   8.3478   5.9262   79.454   25.645   56.683   18.993 22.77104 31.91242 
1 1 1   10   26   32 o  131.127   17.334   50.786   9.4815   47.152   16.854   52.468   11.468  120.486   30.037  141.767   17.309 -21.28059 34.66712 
1 1 1   10   26   33 o   89.137   15.282   21.745   5.4714   25.056   12.073   20.889   6.1379   87.910   26.886   90.364   14.534 -2.453995 30.56304 
1 1 1   10   26   34 o   55.864   14.065   4.7570   4.0997   16.729   9.0194   1.6392   4.6027   74.083   23.336   37.646   15.710 36.43661 28.13091 
1 1 1   10   26   35 o   47.330   12.496   5.1322   3.8203   6.9225   5.0164   2.6601   5.8948   51.544   17.474   43.116   17.868 8.427872 24.99152 
1 1 1   10   26   36 o   34.881   10.888  -0.7440   3.4745  -2.3552   4.6142   1.3659   5.2803   30.764   14.116   38.998   16.580 -8.234045 21.77524 
1 1 1   10   26   37 o   39.196   10.790   0.9865   3.3466  -4.7146   4.6805   6.9496   4.7868   27.764   13.205   50.628   17.070 -22.86427 21.58089 
1 1 1   10   26   38 o  111.662   11.471   33.903   5.9732   31.757   8.4603   36.037   8.4346  107.533   16.835  115.791   15.586 -8.257500 22.94214 
1 1 1   10   26   39 o   78.234   13.769   18.416   5.0149   18.270   7.1485   18.557   7.0370   77.733   19.663   78.735   19.278 -1.002007 27.53719 
1 1 1   10   26   40 o   58.674   13.866   10.598   4.5517   12.396   6.1976   8.4926   6.7066   63.602   19.223   53.746   19.989 9.856678 27.73194 
1 1 1   10   26   41 o   84.703   18.919   26.891   8.7703   18.184   11.833   37.506   13.065   68.877   26.342  100.530   27.164 -31.65334 37.83883 
1 1 1   10   26   42 o   54.342   14.907   8.8882   5.1253   9.2379   5.8932   7.8025   10.384   55.084   18.935   53.601   23.030 1.483543 29.81485 
1 1 1   10   26   43 o   46.436   19.632   5.2065   7.3362   5.2065   7.3362   0.0000   0.0000   46.436   19.632  ?   ?       ?      ? 
1 1 1   10   27    0 o   67.053   18.992   15.315   8.1718   15.315   8.1718   15.315   8.1718   67.053   26.859   67.053   26.859 -0.000000 0.000000 
1 1 1   10   27    1 o   62.119   13.855   8.7133   5.0774   16.008   7.2191   1.5728   7.1426   78.125   19.759   46.113   19.427 32.01168 27.70960 
1 1 1   10   27    2 o   94.303   15.489   23.669   6.6962   23.219   9.4201   24.130   9.5204   93.352   21.959   95.253   21.851 -1.901505 30.97832 
1 1 1   10   27    3 o   60.980   13.257   8.4787   4.6831   15.469   6.6929   1.7741   6.5549   77.078   18.758   44.882   18.740 32.19617 26.51495 
1 1 1   10   27    4 o   90.975   15.379   22.406   6.5747   28.140   9.1010   16.147   9.5084  104.277   19.388   77.672   23.878 26.60488 30.75798 
1 1 1   10   27    5 f  105.471   22.551   29.687   10.779   0.0000   0.0000   29.687   10.779  ?   ?   105.471   22.551      ?      ? 
1 1 1   10   27    7 o   89.662   22.057   21.513   9.1791   0.0000   0.0000   21.513   9.1791  ?   ?    89.662   22.057      ?      ? 
1 1 1   10   27    8 o   48.877   18.987   4.3262   6.2169   0.0000   0.0000   4.3262   6.2169  ?   ?    48.877   18.987      ?      ? 
1 1 1   10   27    9 o   46.901   13.106   3.5716   4.2557   2.8629   5.9426   4.3177   6.0972   45.220   18.241   48.581   18.823 -3.361290 26.21153 
1 1 1   10   27   10 o   97.078   16.324   25.462   7.3363   21.463   10.234   29.689   10.522   88.597   24.084  105.559   22.040 -16.96163 32.64705 
1 1 1   10   27   11 f   69.221   15.494   12.524   5.6397   13.812   7.9205   11.200   8.0321   72.222   21.709   66.220   22.112 6.001335 30.98760 
1 1 1   10   27   12 o   45.956   18.227   3.3953   5.8313   0.0000   0.0000   3.3953   5.8313  ?   ?    45.956   18.227      ?      ? 
1 1 1   10   27   13 o   70.184   21.020   13.011   7.4359   0.0000   0.0000   13.011   7.4359  ?   ?    70.184   21.020      ?      ? 
1 1 1   10   27   14 o   77.828   21.248   16.236   7.9452   0.0000   0.0000   16.236   7.9452  ?   ?    77.828   21.248      ?      ? 
1 1 1   10   27   15 o   95.665   14.274   21.237   6.2202   37.343   10.720   13.063   7.6374  121.173   18.930   70.156   21.369 51.01669 28.54808 
1 1 1   10   27   16 o  143.086   12.054   45.834   7.1933   64.550   14.623   39.859   8.2620  158.615   19.726  127.557   13.859 31.05823 24.10832 
1 1 1   10   27   17 o   76.197   14.913   13.744   5.4734   23.586   9.3842   8.6701   6.7382   93.303   21.897   59.090   20.251 34.21298 29.82545 
1 1 1   10   27   18 o  111.169   16.669   30.977   8.6603   0.0000   0.0000   30.977   8.6603  ?   ?   111.169   16.669      ?      ? 
1 1 1   10   27   19 o   84.010   14.028   18.056   4.8677   19.379   10.031   17.649   5.5671   83.316   24.277   84.703   14.063 -1.386871 28.05636 
1 1 1   10   27   20 o   91.972   13.569   20.754   5.8326   0.0000   0.0000   20.754   5.8326  ?   ?    91.972   13.569      ?      ? 
1 1 1   10   27   21 o   98.376   13.203   22.226   5.0392   31.397   10.991   19.785   5.6703  107.003   22.683   89.749   13.519 17.25447 26.40623 
1 1 1   10   27   22 o  110.991   15.333   32.024   7.3076   36.809   13.061   29.844   8.8168  113.722   25.234  108.259   17.426 5.462776 30.66646 
1 1 1   10   27   23 o   52.044   13.544   6.3088   4.1359   4.3224   7.9560   7.0444   4.8414   51.394   20.969   52.695   17.148 -1.301796 27.08733 
1 1 1   10   27   24 o   81.258   14.237   20.334   5.1639   11.095   10.965   22.967   5.8536   66.085   25.339   96.431   12.989 -30.34669 28.47361 
1 1 1   10   27   25 o  130.090   16.159   51.542   7.8183   37.388   15.522   56.353   9.0502  109.025   29.671  151.155   12.811 -42.12966 32.31828 
1 1 1   10   27   26 o  113.049   12.578   26.037   5.7531   53.089   12.154   18.225   6.5312  143.089   18.175   83.010   17.392 60.07844 25.15561 
1 1 1   10   27   27 o   71.733   13.754   15.573   4.8106   6.3721   10.427   18.062   5.4222   58.207   23.906   85.258   13.608 -27.05090 27.50747 
1 1 1   10   27   28 o  148.008   11.930   45.779   7.3432   85.423   15.299   33.911   8.3705  180.565   18.129  115.450   15.514 65.11440 23.86071 
1 1 1   10   27   29 o   51.126   12.927   6.6743   4.3547  -7.9465   10.419   9.7693   4.7935   41.969   19.885   60.282   16.523 -18.31290 25.85388 
1 1 1   10   27   30 o  102.241   16.490   33.549   7.5331   24.519   13.570   37.571   9.0568   84.696   28.739  119.785   16.178 -35.08890 32.97966 
1 1 1   10   27   31 o   77.325   11.550   16.482   4.0943   12.320   6.1245   19.845   5.5054   66.089   18.886   88.561   13.302 -22.47224 23.09991 
1 1 1   10   27   32 o  109.149   10.381   29.862   5.2317   37.036   8.0294   24.569   6.8966  120.582   14.248   97.715   15.102 22.86700 20.76236 
1 1 1   10   27   33 o   76.771   11.989   16.276   4.1643   14.690   6.3186   17.494   5.5370   72.262   18.600   81.281   15.133 -9.018402 23.97857 
1 1 1   10   27   34 o   49.182   12.368   6.0933   3.6840   8.6896   5.2991   3.6646   5.1253   55.619   17.926   42.746   17.045 12.87284 24.73623 
1 1 1   10   27   35 o   73.020   13.481   15.878   4.6901   17.872   6.4740   13.676   6.8039   78.871   17.965   67.169   20.105 11.70245 26.96213 
1 1 1   10   27   36 o   47.167   11.619   5.7837   3.3816   2.3077   5.0638   8.5815   4.5430   39.293   16.445   55.041   16.418 -15.74753 23.23736 
1 1 1   10   27   37 o   75.835   12.593   17.196   4.4571   20.873   6.1237   13.053   6.4996   86.653   15.699   65.017   19.693 21.63568 25.18515 
1 1 1   10   27   38 o   74.191   12.986   16.545   4.5100   18.716   6.3075   14.275   6.4513   80.330   17.311   68.051   19.361 12.27874 25.97174 
1 1 1   10   27   39 o   37.144   10.773   0.0465   3.4576  -5.8368   4.8316   6.2218   4.9501   26.734   12.898   47.553   17.258 -20.81853 21.54533 
1 1 1   10   27   40 o   54.248   14.743   8.6985   6.2538   14.981   7.6798  -3.6676   10.775   66.258   21.599   42.237   20.073 24.02110 29.48582 
1 1 1   10   27   41 o   37.035   11.604  -0.2349   4.2134  -4.8698   5.9744   4.3512   5.9430   30.830   14.733   43.240   17.931 -12.41043 23.20796 
1 1 1   10   28    0 f  185.108   12.451   85.141   14.917   85.141   14.917   85.141   14.917  185.108   17.609  185.108   17.609 -0.000000 0.000000 
1 1 1   10   28    1 o   79.227   12.717   16.490   4.6290   19.539   6.4876   13.327   6.6068   87.384   16.490   71.070   19.364 16.31414 25.43425 
1 1 1   10   28    2 o  126.568   11.102   40.108   6.4807   34.050   9.3496   45.711   8.9910  116.565   17.163  136.572   14.087 -20.00700 22.20323 
1 1 1   10   28    3 o   96.582   10.120   22.236   4.4894   26.642   7.2125   19.450   5.7360  103.990   14.841   89.175   13.763 14.81514 20.24035 
1 1 1   10   28    4 o  125.230   10.299   40.285   5.7008   31.385   8.9704   46.315   7.3836  111.888   17.155  138.572   11.401 -26.68448 20.59791 
1 1 1   10   28    5 o  195.688   17.394  106.375   14.565   90.759   24.778  114.619   18.004  178.418   29.716  212.958   18.089 -34.54059 34.78848 
1 1 1   10   28    6 o  123.658   12.635   37.164   7.3022   0.0000   0.0000   37.164   7.3022  ?   ?   123.658   12.635      ?      ? 
1 1 1   10   28    7 o   43.063   15.722   3.9320   4.1167   0.0000   0.0000   3.9320   4.1167  ?   ?    43.063   15.722      ?      ? 
1 1 1   10   28    8 o  209.788   15.461  109.119   15.158   0.0000   0.0000  109.119   15.158  ?   ?   209.788   15.461      ?      ? 
1 1 1   10   28    9 o  157.285   14.494   60.259   10.311   81.202   17.466   49.054   12.775  176.491   21.176  138.080   19.797 38.41112 28.98829 
1 1 1   10   28   10 f   89.498   14.848   22.074   6.0431   18.736   9.6520   24.227   7.7502   82.280   23.768   96.716   17.802 -14.43558 29.69543 
1 1 1   10   28   11 o  106.857   13.495   27.691   6.3988   37.903   10.895   22.314   7.9059  121.618   19.169   92.095   18.999 29.52236 26.98931 
1 1 1   10   28   12 o   88.404   14.270   20.212   5.6232   24.073   9.2625   17.959   7.0765   94.335   21.489   82.473   18.780 11.86113 28.53920 
1 1 1   10   28   13 o   72.711   14.356   15.102   5.4593   6.8602   9.0972   19.740   6.8247   58.230   22.870   87.193   17.358 -28.96329 28.71111 
1 1 1   10   28   14 o  128.975   11.755   36.525   6.4252   55.656   12.818   30.105   7.4255  147.524   18.592  110.425   14.388 37.09885 23.50905 
1 1 1   10   28   15 o   60.216   14.064   9.3620   4.3111   7.3110   8.8192   10.006   4.9417   58.464   22.642   61.968   16.690 -3.503887 28.12844 
1 1 1   10   28   16 o   98.025   13.623   23.636   5.3474   28.773   10.899   22.007   6.1368  101.608   23.430   94.441   13.904 7.166252 27.24524 
1 1 1   10   28   17 o   51.666   13.999   5.3651   4.6929   7.2925   7.2664   3.9859   6.1468   56.022   20.812   47.310   18.729 8.711899 27.99871 
1 1 1   10   28   18 o   43.815   12.998   1.3959   4.7192  -3.8881   7.5977   4.7149   6.0216   39.210   18.037   48.420   18.721 -9.209862 25.99616 
1 1 1   10   28   19 o   50.436   12.984   5.7020   4.3201  -0.4864   7.3725   8.9381   5.3313   42.636   18.837   58.236   17.876 -15.59967 25.96854 
1 1 1   10   28   20 o   58.192   13.023   9.6532   4.1855   0.9748   9.0029   12.046   4.7274   48.390   21.114   67.993   15.253 -19.60374 26.04651 
1 1 1   10   28   21 o  133.475   11.558   38.052   6.4174   63.631   13.355   30.374   7.3175  156.573   18.252  110.378   14.185 46.19550 23.11581 
1 1 1   10   28   22 o   75.853   14.198   16.240   4.7757   13.751   9.5218   17.077   5.5203   70.286   24.073   81.419   15.062 -11.13242 28.39655 
1 1 1   10   28   23 o   75.577   15.718   16.298   5.7366   14.791   10.410   16.955   6.8746   72.099   25.144   79.056   18.869 -6.957268 31.43657 
1 1 1   10   28   24 o   51.148   14.016   5.7494   4.6976   1.4850   9.0784   7.3087   5.4896   48.813   21.253   53.484   18.278 -4.671783 28.03162 
1 1 1   10   28   25 o  117.818   19.364   43.414   10.474   40.271   14.775   46.588   14.851  112.369   28.184  123.267   26.562 -10.89722 38.72838 
1 1 1   10   28   26 o   47.296   13.978   3.1450   4.7807   5.4981   8.7548   2.1452   5.7066   52.952   21.845   41.639   17.444 11.31272 27.95526 
1 1 1   10   28   27 o   74.265   14.296   16.357   4.8198   14.068   9.5472   17.140   5.5836   68.266   24.062   80.263   15.446 -11.99682 28.59262 
1 1 1   10   28   28 o   57.610   14.773   8.8816   5.0508   7.5798   8.6412   9.5571   6.2249   56.311   22.234   58.909   19.457 -2.597919 29.54531 
1 1 1   10   28   29 o  125.521   15.768   45.516   7.3520   44.203   15.426   45.902   8.3629  116.117   28.611  134.925   13.262 -18.80822 31.53577 
1 1 1   10   28   30 o   33.938   11.565  -5.9024   4.4644  -7.1651   9.3328  -5.5278   5.0837   39.328   18.688   28.548   13.629 10.78041 23.12945 
1 1 1   10   28   31 o   46.720   13.381   4.8012   4.1456  -0.0000   9.7998   5.8477   4.5752   46.158   20.946   47.283   16.658 -1.124840 26.76234 
1 1 1   10   28   32 o   48.181   11.735   5.8545   3.6020   0.8976   5.4399   9.7244   4.8066   37.821   16.459   58.540   16.732 -20.71856 23.47021 
1 1 1   10   28   33 o   72.303   11.701   16.189   4.1872   7.5704   6.6080   21.971   5.4125   52.258   19.757   92.347   12.541 -40.08878 23.40141 
1 1 1   10   28   34 o   33.570   10.385  -0.0574   3.2088  -2.6803   4.7472   2.1493   4.3542   30.093   13.988   37.047   15.355 -6.954298 20.77056 
1 1 1   10   28   35 o   26.844   9.0612  -4.6142   3.1761  -3.8517   4.5543  -5.3362   4.4316   27.892   13.195   25.797   12.422 2.094753 18.12237 
1 1 1   10   28   36 o   49.464   12.582   6.7095   3.7765   4.6861   5.2118   8.9463   5.4797   44.100   17.313   54.829   18.262 -10.72862 25.16488 
1 1 1   10   28   37 o   54.801   12.648   9.4064   3.8871   6.0072   6.6665   11.157   4.7846   47.868   19.316   61.734   16.331 -13.86592 25.29502 
1 1 1   10   28   38 o   44.265   11.968   4.5795   3.3453   8.2556   5.7282   2.6769   4.1210   51.622   18.590   36.907   15.078 14.71486 23.93653 
1 1 1   10   29    0 o  253.142   16.324  164.164   26.789  164.164   26.789  164.164   26.789  253.142   23.085  253.142   23.085 -0.000000 0.000000 
1 1 1   10   29    1 o  180.369   12.386   84.952   9.9578   71.769   15.800   93.638   12.826  165.888   20.379  194.851   14.084 -28.96336 24.77276 
1 1 1   10   29    2 o  157.576   11.886   62.819   8.6992   55.539   12.328   70.039   12.277  147.705   17.859  167.446   15.688 -19.74078 23.77122 
1 1 1   10   29    3 o   81.564   11.382   17.695   4.0989   13.960   6.5547   20.093   5.2526   72.338   19.105   90.791   12.379 -18.45328 22.76468 
1 1 1   10   29    4 o  178.740   11.083   77.663   9.1181   93.485   14.512   67.342   11.720  193.058   16.084  164.423   15.252 28.63544 22.16624 
1 1 1   10   29    5 o  185.685   16.642   92.166   13.724   97.110   23.371   89.564   16.955  185.466   26.964  185.903   19.515 -0.4370880 33.28452 
1 1 1   10   29    6 o  104.780   14.156   29.546   6.5609   26.660   10.493   31.399   8.4071   97.768   23.296  111.792   16.091 -14.02456 28.31283 
1 1 1   10   29    7 o   57.830   19.124   8.5574   6.0130   0.0000   0.0000   8.5574   6.0130  ?   ?    57.830   19.124      ?      ? 
1 1 1   10   29    8 o   47.717   17.479   5.0692   5.0943   0.0000   0.0000   5.0692   5.0943  ?   ?    47.717   17.479      ?      ? 
1 1 1   10   29    9 o   43.088   16.922   3.2862   4.9801   0.0000   0.0000   3.2862   4.9801  ?   ?    43.088   16.922      ?      ? 
1 1 1   10   29   10 o  141.275   11.872   46.602   6.9840   61.123   14.042   41.829   8.0505  152.406   19.714  130.145   13.236 22.26175 23.74490 
1 1 1   10   29   11 o  101.400   14.123   29.180   5.7943   23.891   10.966   31.228   6.8247   90.309   25.086  112.491   12.981 -22.18195 28.24581 
1 1 1   10   29   12 o  100.415   13.925   26.815   5.6298   27.401   11.043   26.608   6.5441   97.278   24.347  103.552   13.522 -6.273880 27.85009 
1 1 1   10   29   13 o  113.034   13.907   35.117   6.1104   31.855   11.965   36.268   7.1070  104.684   24.832  121.384   12.528 -16.70036 27.81358 
1 1 1   10   29   14 o   46.461   12.448   4.5751   3.5469   3.5294   6.5282   5.0131   4.2248   46.972   19.059   45.949   16.019 1.022774 24.89661 
1 1 1   10   29   15 o   38.038   11.968  -0.4738   3.5928  -0.0003   7.6836  -0.6064   4.0645   44.134   19.374   31.942   14.055 12.19217 23.93546 
1 1 1   10   29   16 o   41.521   11.274   2.1773   3.7565 -13.5526   8.0759   6.5204   4.2435   32.427   15.874   50.615   16.013 -18.18805 22.54790 
1 1 1   10   29   17 f  116.766   14.372   38.645   6.3661   32.560   12.680   40.696   7.3611  104.811   26.009  128.720   12.236 -23.90891 28.74406 
1 1 1   10   29   18 o   42.990   12.750   1.8175   3.6430   4.0066   7.8613   1.2188   4.1111   50.266   20.714   35.714   14.871 14.55165 25.49929 
1 1 1   10   29   19 o   53.872   13.921   6.6536   4.0027   8.0070   8.5663   6.2755   4.5273   57.964   22.352   49.780   16.601 8.184124 27.84216 
1 1 1   10   29   20 o   38.053   15.779   1.6953   4.6009   0.0000   0.0000   1.6953   4.6009  ?   ?    38.053   15.779      ?      ? 
1 1 1   10   29   21 o   71.744   12.770   9.7488   4.5609   28.625   8.6855   2.5620   5.3593  101.839   18.946   41.649   17.126 60.18949 25.53951 
1 1 1   10   29   22 o   49.478   13.410   5.7399   4.2109   4.0319   7.6937   6.4703   5.0314   48.834   20.339   50.121   17.481 -1.286568 26.81900 
1 1 1   10   29   23 f   48.431   13.374   4.6655   3.9251   7.0827   7.7752   3.8388   4.5471   54.288   21.194   42.574   16.318 11.71389 26.74831 
1 1 1   10   29   24 o   65.882   13.827   13.180   4.5341   7.1123   9.6736   14.888   5.1329   56.727   23.130   75.038   15.158 -18.31114 27.65486 
1 1 1   10   29   25 o   42.781   11.844   3.3031   3.7882  -8.6738   8.4749   6.2937   4.2349   36.386   17.432   49.176   16.039 -12.78964 23.68779 
1 1 1   10   29   26 o   91.567   14.343   29.240   5.8947   12.813   11.683   34.850   6.8275   65.514   25.857  117.619   12.420 -52.10516 28.68557 
1 1 1   10   29   27 o   54.563   13.322   8.6930   4.0744   3.0901   9.2769   10.032   4.5352   48.928   21.388   60.197   15.888 -11.26951 26.64368 
1 1 1   10   29   28 o  108.539   13.144   27.441   5.8225   49.715   12.249   20.939   6.6180  130.644   20.062   86.434   16.989 44.21014 26.28892 
1 1 1   10   29   29 f   64.225   14.774   10.514   4.0937   17.733   10.081   9.0888   4.4796   71.671   24.758   56.779   16.126 14.89199 29.54726 
1 1 1   10   29   30 o   30.847   13.738  -0.4864   4.0000   0.0000   0.0000  -0.4864   4.0000  ?   ?    30.847   13.738      ?      ? 
1 1 1   10   29   31 o   86.213   13.180   29.003   5.7953   5.8019   11.574   36.767   6.6952   52.909   23.477  119.517   11.986 -66.60728 26.35990 
1 1 1   10   29   32 o  101.863   14.567   27.822   5.6553   40.390   12.630   24.670   6.3247  107.585   25.508   96.142   14.076 11.44279 29.13423 
1 1 1   10   29   33 o   57.251   12.274   9.1460   3.7024   13.950   5.6940   5.6271   4.8732   68.560   17.662   45.942   17.048 22.61756 24.54776 
1 1 1   10   29   34 o   29.280   9.5788  -2.8250   3.2325  -6.6745   4.9001   0.1408   4.3011   26.029   12.659   32.531   14.379 -6.502213 19.15764 
1 1 1   10   29   35 o   39.507   11.977   1.7304   4.1344   5.5053   5.8872  -1.9431   5.8075   45.486   18.224   33.529   15.546 11.95742 23.95342 
1 1 1   10   30    0 o  291.627   18.087  224.102   34.246  224.102   34.246  224.102   34.246  291.627   25.579  291.627   25.579 -0.000000 0.000000 
1 1 1   10   30    1 f  121.558   12.307   38.763   6.5193   26.632   9.0736   51.707   9.3730   98.919   20.307  144.197   13.908 -45.27842 24.61377 
1 1 1   10   30    2 o   32.796   10.441  -2.1136   3.4523   0.1371   4.6966  -4.7591   5.0919   35.641   15.401   29.952   14.103 5.689949 20.88289 
1 1 1   10   30    3 o  101.895   14.369   29.948   6.3737   35.009   8.0243   21.296   10.491  118.336   14.509   85.454   24.807 32.88182 28.73836 
1 1 1   10   30    4 o  134.142   19.003   52.947   11.497   50.722   16.140   55.238   16.381  130.762   27.292  137.522   26.449 -6.760452 38.00499 
1 1 1   10   30    5 o   53.079   18.347   7.0060   5.5364   0.0000   0.0000   7.0060   5.5364  ?   ?    53.079   18.347      ?      ? 
1 1 1   10   30    6 o   93.553   13.080   21.624   5.7188   0.0000   0.0000   21.624   5.7188  ?   ?    93.553   13.080      ?      ? 
1 1 1   10   30    7 o  121.280   12.703   33.377   6.3714   49.466   13.208   28.498   7.2736  135.898   20.797  106.662   14.591 29.23583 25.40516 
1 1 1   10   30    8 o   67.381   14.099   12.448   4.4129   11.090   9.0389   12.872   5.0564   64.693   23.345   70.069   15.816 -5.376419 28.19811 
1 1 1   10   30    9 o  114.146   13.545   32.406   7.2257   0.0000   0.0000   32.406   7.2257  ?   ?   114.146   13.545      ?      ? 
1 1 1   10   30   10 o   58.031   19.057   8.8900   5.9746   0.0000   0.0000   8.8900   5.9746  ?   ?    58.031   19.057      ?      ? 
1 1 1   10   30   11 o   55.206   13.069   8.2461   4.0662   3.1497   7.8848   10.093   4.7460   48.785   20.475   61.626   16.247 -12.84121 26.13791 
1 1 1   10   30   12 o   45.517   16.385   4.8481   4.4496   0.0000   0.0000   4.8481   4.4496  ?   ?    45.517   16.385      ?      ? 
1 1 1   10   30   13 o   75.028   12.110   18.416   4.6028   3.6530   8.4840   24.573   5.4792   50.286   21.178   99.769   11.751 -49.48359 24.22001 
1 1 1   10   30   14 o   80.500   13.613   18.724   4.7467   15.603   9.2758   19.831   5.5249   72.222   23.746   88.778   13.316 -16.55505 27.22522 
1 1 1   10   30   15 o  102.489   14.878   31.780   5.9773   25.914   12.158   33.649   6.8641   89.162   26.918  115.816   12.682 -26.65418 29.75580 
1 1 1   10   30   16 o   44.252   11.621   2.0135   4.2021 -10.3415   6.9277   9.2049   5.2854   30.650   14.939   57.854   17.805 -27.20401 23.24188 
1 1 1   10   30   17 o   61.457   14.126   10.288   4.2376   10.833   8.7498   10.121   4.8435   62.020   22.878   60.893   16.575 1.127216 28.25119 
1 1 1   10   30   18 o   97.553   12.931   23.261   5.0444   31.946   10.417   20.601   5.7655  104.944   21.946   90.162   13.683 14.78217 25.86172 
1 1 1   10   30   19 f  121.831   17.069   39.166   9.7187   0.0000   0.0000   39.166   9.7187  ?   ?   121.831   17.069      ?      ? 
1 1 1   10   30   20 o   78.758   13.767   18.160   4.7570   14.938   9.4600   19.250   5.5034   70.310   23.995   87.205   13.503 -16.89564 27.53343 
1 1 1   10   30   21 o   98.058   12.418   21.794   5.0124   37.718   10.370   16.939   5.7258  116.938   18.975   79.177   16.024 37.76134 24.83527 
1 1 1   10   30   22 o   49.653   12.288   6.1846   4.3655  -7.2448   8.6304   10.802   5.0607   37.266   17.781   62.040   16.966 -24.77336 24.57681 
1 1 1   10   30   23 o  128.591   16.113   49.823   9.0158   54.023   15.199   47.543   11.199  127.168   26.437  130.014   18.431 -2.845734 32.22692 
1 1 1   10   30   24 o   69.964   16.017   15.122   6.5259   7.2968   8.9624   23.953   9.5209   53.801   22.138   86.127   23.154 -32.32576 32.03405 
1 1 1   10   30   25 o   66.518   15.388   13.036   5.1643   17.804   9.4317   10.995   6.1716   72.490   23.951   60.546   19.328 11.94329 30.77663 
1 1 1   10   30   26 o   60.246   14.089   10.724   4.1427   11.035   9.3611   10.648   4.6196   59.203   23.216   61.288   15.968 -2.084579 28.17715 
1 1 1   10   30   27 o   84.510   15.936   24.533   6.4370   20.585   11.147   26.508   7.8843   74.025   26.008   94.995   18.424 -20.96935 31.87271 
1 1 1   10   30   28 o   66.164   13.917   11.998   4.1425   18.033   8.3454   10.024   4.7719   73.556   22.323   58.773   16.627 14.78278 27.83487 
1 1 1   10   30   29 o   75.015   14.366   15.194   4.6114   24.528   9.3877   12.225   5.2942   85.556   22.987   64.474   17.237 21.08281 28.73230 
1 1 1   10   30   30 o   32.615   14.163   0.6155   4.0106   0.0000   0.0000   0.6155   4.0106  ?   ?    32.615   14.163      ?      ? 
1 1 1   10   30   31 f   58.813   18.405   10.866   5.6211   0.0000   0.0000   10.866   5.6211  ?   ?    58.813   18.405      ?      ? 
1 1 1   10   30   32 o   46.660   20.330   4.9034   8.3211   0.0000   0.0000   4.9034   8.3211  ?   ?    46.660   20.330      ?      ? 
1 1 1   10   31    0 o   54.538   20.038   12.294   9.3760   12.294   9.3760   12.294   9.3760   54.538   28.338   54.538   28.338 -0.000000 0.000000 
1 1 1   10   31    1 o  104.630   18.423   34.788   9.0047   31.824   13.041   37.488   12.449   98.557   27.349  110.702   24.690 -12.14552 36.84531 
1 1 1   10   31    2 o   78.848   16.404   19.253   7.2136   8.9072   10.660   27.993   9.7977   59.986   24.349   97.711   21.987 -37.72437 32.80708 
1 1 1   10   31    3 o   63.073   13.537   12.308   4.7055   3.3275   9.4837   15.241   5.4196   50.805   21.920   75.340   15.892 -24.53537 27.07480 
1 1 1   10   31    4 o   74.202   14.720   16.238   5.2124   14.924   8.9603   16.910   6.4082   70.260   23.351   78.143   17.928 -7.882294 29.43909 
1 1 1   10   31    5 o  102.315   12.931   27.749   5.3872   30.564   10.304   26.690   6.3199  101.874   22.263  102.756   13.160 -0.8814240 25.86177 
1 1 1   10   31    6 o   38.831   11.497   1.8851   3.2851   1.1823   6.0936   2.1730   3.9004   40.832   17.594   36.830   14.806 4.001923 22.99471 
1 1 1   10   31    7 o   79.372   13.072   17.618   4.7531   18.034   6.5065   17.142   6.9601   80.937   17.695   77.807   19.247 3.130775 26.14461 
1 1 1   10   31    8 o  137.555   13.105   47.492   7.4204   59.972   14.970   43.426   8.5439  144.594   22.153  130.516   14.007 14.07771 26.20959 
1 1 1   10   31    9 o  138.601   10.090   48.625   6.4947   52.705   9.8728   45.512   8.6234  143.288   14.743  133.914   13.779 9.374252 20.17950 
1 1 1   10   31   10 o   86.252   13.857   19.738   4.9915   23.927   9.6113   18.190   5.8410   89.681   22.863   82.822   15.664 6.858971 27.71401 
1 1 1   10   31   11 o   55.978   13.739   7.8494   4.0197   9.7530   7.8144   7.1645   4.6874   59.874   21.691   52.082   16.867 7.791439 27.47717 
1 1 1   10   31   12 o   79.325   14.194   17.631   4.8511   18.362   9.4413   17.369   5.6546   77.676   23.779   80.973   15.507 -3.297226 28.38857 
1 1 1   10   31   13 f  103.504   12.059   23.462   5.1510   43.069   10.526   17.289   5.9065  126.844   17.757   80.164   16.320 46.68041 24.11746 
1 1 1   10   31   14 o   82.905   15.203   19.685   5.7203   23.070   9.7805   17.925   7.0523   86.465   23.561   79.345   19.221 7.119637 30.40693 
1 1 1   10   31   15 o   78.650   13.397   18.265   4.6403   15.491   8.8416   19.319   5.4514   70.445   23.185   86.855   13.430 -16.40976 26.79382 
1 1 1   10   31   16 o  121.797   17.181   48.905   8.8653   39.522   15.437   53.522   10.829  102.698   30.171  140.896   16.446 -38.19806 34.36239 
1 1 1   10   31   17 o   48.803   12.814   5.9126   4.4385  -3.1869   8.2903   9.5690   5.2551   39.783   18.489   57.823   17.747 -18.03936 25.62857 
1 1 1   10   31   18 o   67.791   13.952   13.595   4.2727   13.785   9.0752   13.542   4.8430   65.288   23.411   70.294   15.186 -5.006058 27.90485 
1 1 1   10   31   19 o   34.627   10.835  -0.1536   3.4981  -9.0030   7.4605   2.3402   3.9604   32.505   15.765   36.749   14.868 -4.244038 21.66987 
1 1 1   10   31   20 o   47.869   12.551   6.1220   3.7191   3.7061   6.8024   7.1521   4.4418   45.132   18.983   50.607   16.422 -5.475056 25.10106 
1 1 1   10   31   21 o   69.975   13.704   11.995   4.7114   25.991   8.5939   5.9804   5.6334   92.123   20.490   47.827   18.204 44.29604 27.40834 
1 1 1   10   31   22 o   64.862   15.141   12.251   5.2264   19.658   8.9023   8.3557   6.4562   76.319   23.032   53.405   19.659 22.91422 30.28147 
1 1 1   10   31   23 o   43.570   12.730   4.0013   3.7598   1.6043   8.5871   4.5698   4.1820   44.568   19.969   42.571   15.794 1.996975 25.45972 
1 1 1   10   31   24 o   40.475   11.863   2.6420   3.9101  -3.7422   7.2210   5.2905   4.6510   35.965   16.890   44.986   16.663 -9.021061 23.72587 
1 1 1   10   31   25 o   48.830   12.296   6.4315   4.2554  -3.2194   7.6487   10.758   5.1211   37.368   17.496   60.292   17.283 -22.92341 24.59257 
1 1 1   10   31   26 o   36.516   17.403  -5.2318   8.2169   0.0000   0.0000  -5.2318   8.2169  ?   ?    36.516   17.403      ?      ? 
1 1 1   10   31   27 o   79.840   17.428   19.149   6.3203   0.0000   0.0000   19.149   6.3203  ?   ?    79.840   17.428      ?      ? 
1 1 1   10   31   28 o   71.442   17.949   15.818   5.9852   0.0000   0.0000   15.818   5.9852  ?   ?    71.442   17.949      ?      ? 
1 1 1   10   32    0 o   54.536   20.022   12.724   9.3562   12.724   9.3562   12.724   9.3562   54.536   28.316   54.536   28.316 -0.000000 0.000000 
1 1 1   10   32    1 o   62.681   15.268   11.310   6.2570   18.473   8.2733   1.7375   9.5638   77.457   21.887   47.906   21.295 29.55137 30.53685 
1 1 1   10   32    2 o   75.819   16.956   18.817   7.1392   24.775   9.8324   12.173   10.383   88.500   23.411   63.138   24.535 25.36239 33.91214 
1 1 1   10   32    4 o   86.856   23.432   24.051   9.7306   0.0000   0.0000   24.051   9.7306  ?   ?    86.856   23.432      ?      ? 
1 1 1   10   32    5 o   64.645   21.662   12.847   7.7083   0.0000   0.0000   12.847   7.7083  ?   ?    64.645   21.662      ?      ? 
1 1 1   10   32    6 o  123.338   15.374   45.084   8.1969   47.364   13.888   43.865   10.154  120.305   25.493  126.370   17.193 -6.064301 30.74890 
1 1 1   10   32    7 f   62.354   13.212   11.431   4.1969   12.951   5.8071   9.7680   6.0725   66.829   18.132   57.879   19.222 8.950180 26.42466 
1 1 1   10   32    8 o   48.053   12.371   6.2170   3.8596  -1.6910   8.2277   8.4481   4.3702   41.090   18.853   55.015   16.022 -13.92494 24.74142 
1 1 1   10   32    9 o   88.146   11.057   21.322   4.3679   19.386   6.6142   22.819   5.8167   82.439   17.696   93.853   13.261 -11.41377 22.11389 
1 1 1   10   32   10 o   79.693   12.344   18.863   4.6805   25.603   6.3906   11.064   6.8743   98.925   13.823   60.462   20.455 38.46283 24.68778 
1 1 1   10   32   11 o   49.752   12.763   6.7630   3.7381   5.0311   6.9934   7.4557   4.4229   47.839   19.605   51.664   16.348 -3.824818 25.52687 
1 1 1   10   32   12 o   75.425   18.100   16.584   6.2988   0.0000   0.0000   16.584   6.2988  ?   ?    75.425   18.100      ?      ? 
1 1 1   10   32   13 o   86.323   13.290   26.317   5.2618   11.657   9.8518   32.168   6.2239   60.452   23.781  112.194   11.870 -51.74162 26.57900 
1 1 1   10   32   14 f   83.761   13.766   22.528   4.9184   17.689   9.8653   24.128   5.6738   70.973   24.493   96.549   12.574 -25.57624 27.53230 
1 1 1   10   32   15 o   75.306   13.575   14.777   4.2932   23.673   8.7188   11.929   4.9327   86.077   21.684   64.535   16.339 21.54253 27.15051 
1 1 1   10   32   16 o   84.326   14.258   18.776   5.4124   35.099   9.8921   11.801   6.4661  107.018   20.525   61.633   19.795 45.38485 28.51530 
1 1 1   10   32   17 o   51.675   13.450   6.6828   4.0653   11.481   7.2345   4.4683   4.9147   60.087   20.961   43.264   16.861 16.82275 26.90097 
1 1 1   10   32   18 o   73.190   14.199   16.209   4.7656   18.542   8.4873   15.135   5.7592   74.423   22.495   71.957   17.332 2.465736 28.39777 
1 1 1   10   32   19 o   43.576   13.406   2.6334   5.0486   3.2672   7.7531   2.1669   6.6523   45.296   19.681   41.856   18.208 3.440098 26.81166 
1 1 1   10   32   20 o   31.660   14.277  -0.7998   4.4702   0.0000   0.0000  -0.7998   4.4702  ?   ?    31.660   14.277      ?      ? 
1 1 1   10   32   21 o   37.871   15.985   2.2358   4.8506   0.0000   0.0000   2.2358   4.8506  ?   ?    37.871   15.985      ?      ? 
1 1 1   10   32   22 o   66.212   18.386   13.737   5.8916   0.0000   0.0000   13.737   5.8916  ?   ?    66.212   18.386      ?      ? 
1 1 1   10   32   23 o   26.127   12.475  -4.0917   4.2624   0.0000   0.0000  -4.0917   4.2624  ?   ?    26.127   12.475      ?      ? 
1 1 1   10   33    0 o   65.265   16.314   14.640   6.3973   14.640   6.3973   14.640   6.3973   65.265   23.071   65.265   23.071 -0.000000 0.000000 
1 1 1   10   33    1 f  143.595   15.224   59.236   9.7194   48.792   11.745   81.929   17.312  128.056   19.625  159.134   23.278 -31.07776 30.44700 
1 1 1   10   33    2 o   65.031   14.783   13.906   5.0989   14.941   6.0607   11.401   9.4323   70.773   18.216   59.289   23.287 11.48395 29.56528 
1 1 1   10   33    3 o   94.725   14.481   35.148   7.4192   47.350   8.9532   8.4064   13.254  132.854   14.420   56.595   25.118 76.25858 28.96265 
1 1 1   10   33    4 o   38.453   16.154   2.2267   4.9163   2.2267   4.9163   0.0000   0.0000   38.453   16.154  ?   ?       ?      ? 
1 1 1   10   33    5 o   57.775   14.459   8.9824   4.5838   15.303   8.3997   6.3021   5.4701   67.373   22.612   48.177   18.026 19.19601 28.91759 
1 1 1   10   33    6 o   59.963   16.208   11.610   6.4669   8.2068   9.1464   15.012   9.1448   54.040   22.314   65.887   23.514 -11.84655 32.41648 
1 1 1   10   33    7 o   70.222   14.963   16.086   5.1433   15.182   9.8316   16.427   6.0349   65.571   24.238   74.874   17.552 -9.302658 29.92600 
1 1 1   10   33    8 o  102.875   19.780   40.102   9.7789   36.684   13.532   43.837   14.147   97.414   28.144  108.336   27.803 -10.92196 39.56073 
1 1 1   10   33    9 o   44.466   12.795   4.2334   3.9679   3.6997   4.8284   5.3436   6.9636   41.343   16.525   47.589   19.540 -6.245712 25.59043 
1 1 1   10   33   10 o   46.837   11.109   1.1698   4.3908   13.682   5.7935 -15.7157   6.7303   67.676   18.003   25.998   13.021 41.67849 22.21865 
1 1 1   10   33   11 o   76.703   14.574   17.557   5.3950   26.647   8.7384   11.957   6.8582   92.132   20.789   61.275   20.432 30.85666 29.14833 
1 1 1   10   33   12 o   79.162   17.429   18.396   6.2733   0.0000   0.0000   18.396   6.2733  ?   ?    79.162   17.429      ?      ? 
1 1 1   10   33   13 o  101.693   25.201   37.029   11.916   0.0000   0.0000   37.029   11.916  ?   ?   101.693   25.201      ?      ? 
1 1 1   10   33   14 o   30.161   14.353  -4.5193   5.5453   0.0000   0.0000  -4.5193   5.5453  ?   ?    30.161   14.353      ?      ? 
1 1 1   10   33   15 o   76.637   17.431   17.681   6.1024   0.0000   0.0000   17.681   6.1024  ?   ?    76.637   17.431      ?      ? 
1 1 1   10   33   16 o   66.219   18.058   13.685   5.7428   0.0000   0.0000   13.685   5.7428  ?   ?    66.219   18.058      ?      ? 
1 1 1   10   33   17 o   41.977   17.944   3.4114   6.2468   0.0000   0.0000   3.4114   6.2468  ?   ?    41.977   17.944      ?      ? 
1 1 1   10   34    0 o   50.622   18.370   11.644   7.8150   11.644   7.8150   11.644   7.8150   50.622   25.978   50.622   25.978 -0.000000 0.000000 
1 1 1   10   34    1 o   39.904   12.416   1.7884   4.5303   0.0018   6.4789   3.4975   6.3370   37.497   17.022   42.310   18.080 -4.812244 24.83191 
1 1 1   10   34    2 o   55.608   14.820   10.352   5.3336   12.594   7.4752   8.0279   7.6123   60.141   21.281   51.075   20.630 9.066090 29.63951 
1 1 1   10   34    3 o   98.573   18.893   39.083   9.0561   43.866   12.640   34.038   12.982  108.581   25.366   88.566   28.007 20.01538 37.78600 
1 1 1   10   34    4 f   50.009   13.869   7.1856   4.8952   10.867   7.0056   3.6728   6.8430   56.775   20.542   43.243   18.639 13.53195 27.73787 
1 1 1   10   34    5 o   43.724   12.318   1.0637   4.6012   11.482   6.6844  -8.3176   6.3431   58.487   20.163   28.962   14.155 29.52461 24.63520 
1 1 1   10   34    6 o   88.412   17.395   29.335   7.5701   23.548   10.306   36.115   11.155   77.056   25.016   99.769   24.178 -22.71326 34.79044 
1 1 1   11    0    1 o  386.086   17.347  354.066   43.855  354.066   43.855  354.066   43.855  386.086   24.532  386.086   24.532 -0.000000 0.000000 
1 1 1   11    0    2 o  775.942   42.855  1470.47  216.698  1470.47  216.698  1470.47  216.698  775.942   60.607  775.942   60.607 -0.000000 0.000000 
1 1 1   11    0    3 o  323.346   18.499  250.322   38.940  250.322   38.940  250.322   38.940  323.346   26.162  323.346   26.162 -0.000000 0.000000 
1 1 1   11    0    4 o  751.156   41.524  1376.94  203.252  1376.94  203.252  1376.94  203.252  751.156   58.723  751.156   58.723 -0.000000 0.000000 
1 1 1   11    0    5 o  343.449   15.811  280.209   35.542  280.209   35.542  280.209   35.542  343.449   22.361  343.449   22.361 -0.000000 0.000000 
1 1 1   11    0    6 o  619.932   27.574  919.953  111.957  919.953  111.957  919.953  111.957  619.932   38.996  619.932   38.996 -0.000000 0.000000 
1 1 1   11    0    7 o  633.136   28.109  960.641  116.562  960.641  116.562  960.641  116.562  633.136   39.752  633.136   39.752 -0.000000 0.000000 
1 1 1   11    0    8 o  854.977   37.694  1772.67  211.103  1772.67  211.103  1772.67  211.103  854.977   53.307  854.977   53.307 -0.000000 0.000000 
1 1 1   11    0    9 o  531.078   20.198  670.003   70.429  670.003   70.429  670.003   70.429  531.078   28.565  531.078   28.565 -0.000000 0.000000 
1 1 1   11    0   10 o  282.733   13.541  190.036   25.038  190.036   25.038  190.036   25.038  282.733   19.150  282.733   19.150 -0.000000 0.000000 
1 1 1   11    0   11 o  130.944   8.3117   41.082   7.0601   41.082   7.0601   41.082   7.0601  130.944   11.755  130.944   11.755 -0.000000 0.000000 
1 1 1   11    0   12 o  503.987   22.428  606.634   74.031  606.634   74.031  606.634   74.031  503.987   31.719  503.987   31.719 -0.000000 0.000000 
1 1 1   11    0   13 o  277.213   12.950  182.532   23.489  182.532   23.489  182.532   23.489  277.213   18.314  277.213   18.314 -0.000000 0.000000 
1 1 1   11    0   14 o  127.850   8.5048   39.257   7.0405   39.257   7.0405   39.257   7.0405  127.850   12.028  127.850   12.028 -0.000000 0.000000 
1 1 1   11    0   15 o  394.041   21.046  372.507   54.092  372.507   54.092  372.507   54.092  394.041   29.763  394.041   29.763 -0.000000 0.000000 
1 1 1   11    0   16 o  165.103   11.688   65.785   12.461   65.785   12.461   65.785   12.461  165.103   16.529  165.103   16.529 -0.000000 0.000000 
1 1 1   11    0   17 o   40.123   15.213   5.3939   5.5429   5.3939   5.5429   5.3939   5.5429   40.123   21.514   40.123   21.514 -0.000000 0.000000 
1 1 1   11    0   18 o  223.914   21.396  124.555   30.036  124.555   30.036  124.555   30.036  223.914   30.259  223.914   30.259 -0.000000 0.000000 
1 1 1   11    0   19 o  468.144   39.438  551.702  117.453  551.702  117.453  551.702  117.453  468.144   55.773  468.144   55.773 -0.000000 0.000000 
1 1 1   11    0   21 o  445.160   37.716  499.783  106.755  499.783  106.755  499.783  106.755  445.160   53.339  445.160   53.339 -0.000000 0.000000 
1 1 1   11    0   22 f  771.525   43.628  1488.59  219.197  1488.59  219.197  1488.59  219.197  771.525   61.699  771.525   61.699 -0.000000 0.000000 
1 1 1   11    0   23 o  463.650   39.351  544.375  115.991  544.375  115.991  544.375  115.991  463.650   55.651  463.650   55.651 -0.000000 0.000000 
1 1 1   11    0   24 o  219.001   21.030  119.673   28.856  119.673   28.856  119.673   28.856  219.001   29.741  219.001   29.741 -0.000000 0.000000 
1 1 1   11    0   25 o   56.201   19.439   11.023   8.5456   11.023   8.5456   11.023   8.5456   56.201   27.491   56.201   27.491 -0.000000 0.000000 
1 1 1   11    0   27 o  256.823   23.703  165.674   38.338  165.674   38.338  165.674   38.338  256.823   33.522  256.823   33.522 -0.000000 0.000000 
1 1 1   11    0   28 o   29.704   14.065  -2.7724   7.6816  -2.7724   7.6816  -2.7724   7.6816   29.704   19.891   29.704   19.891 -0.000000 0.000000 
1 1 1   11    0   29 o  175.883   19.446   78.615   20.957   78.615   20.957   78.615   20.957  175.883   27.500  175.883   27.500 -0.000000 0.000000 
1 1 1   11    0   30 o  111.326   12.510   31.285   8.5087   31.285   8.5087   31.285   8.5087  111.326   17.692  111.326   17.692 -0.000000 0.000000 
1 1 1   11    0   31 o  112.269   19.475   34.773   12.515   34.773   12.515   34.773   12.515  112.269   27.541  112.269   27.541 -0.000000 0.000000 
1 1 1   11    0   32 o  335.720   18.386  274.051   40.234  274.051   40.234  274.051   40.234  335.720   26.002  335.720   26.002 -0.000000 0.000000 
1 1 1   11    0   33 o  100.941   12.744   26.210   7.6950   26.210   7.6950   26.210   7.6950  100.941   18.023  100.941   18.023 -0.000000 0.000000 
1 1 1   11    0   34 o  205.572   13.609  102.703   18.118  102.703   18.118  102.703   18.118  205.572   19.246  205.572   19.246 -0.000000 0.000000 
1 1 1   11    0   35 o  258.117   15.591  162.075   26.151  162.075   26.151  162.075   26.151  258.117   22.049  258.117   22.049 -0.000000 0.000000 
1 1 1   11    0   38 o   26.534   12.819  -4.1917   7.0430  -4.1917   7.0430  -4.1917   7.0430   26.534   18.128   26.534   18.128 -0.000000 0.000000 
1 1 1   11    0   39 o   50.229   16.714   8.8755   6.2462   8.8755   6.2462   8.8755   6.2462   50.229   23.637   50.229   23.637 -0.000000 0.000000 
1 1 1   11    0   40 o  123.131   12.229   38.052   9.3886   38.052   9.3886   38.052   9.3886  123.131   17.295  123.131   17.295 -0.000000 0.000000 
1 1 1   11    0   41 f  151.282   12.131   56.372   11.727   56.372   11.727   56.372   11.727  151.282   17.156  151.282   17.156 -0.000000 0.000000 
1 1 1   11    0   42 o   25.180   11.985  -2.3031   5.7111  -2.3031   5.7111  -2.3031   5.7111   25.180   16.949   25.180   16.949 -0.000000 0.000000 
1 1 1   11    0   43 o   62.481   17.088   12.799   6.7027   12.799   6.7027   12.799   6.7027   62.481   24.166   62.481   24.166 -0.000000 0.000000 
1 1 1   11    0   44 o  295.713   17.625  218.015   33.884  218.015   33.884  218.015   33.884  295.713   24.925  295.713   24.925 -0.000000 0.000000 
1 1 1   11    0   45 o  181.092   10.009   79.131   11.812   79.131   11.812   79.131   11.812  181.092   14.155  181.092   14.155 -0.000000 0.000000 
1 1 1   11    0   46 o   64.541   15.374   12.826   5.8618   12.826   5.8618   12.826   5.8618   64.541   21.742   64.541   21.742 -0.000000 0.000000 
1 1 1   11    0   47 o   37.016   14.703   4.4890   5.4429   4.4890   5.4429   4.4890   5.4429   37.016   20.794   37.016   20.794 -0.000000 0.000000 
1 1 1   11    0   48 o  126.350   10.625   39.543   8.5420   39.543   8.5420   39.543   8.5420  126.350   15.026  126.350   15.026 -0.000000 0.000000 
1 1 1   11    0   49 o  116.316   10.903   33.834   7.9708   33.834   7.9708   33.834   7.9708  116.316   15.419  116.316   15.419 -0.000000 0.000000 
1 1 1   11    0   50 o  220.048   11.451  117.581   16.446  117.581   16.446  117.581   16.446  220.048   16.193  220.048   16.193 -0.000000 0.000000 
1 1 1   11    0   51 o   56.743   18.838   11.700   7.9295   11.700   7.9295   11.700   7.9295   56.743   26.641   56.743   26.641 -0.000000 0.000000 
1 1 1   11    0   52 o   39.587   16.903   4.2383   8.0944   4.2383   8.0944   4.2383   8.0944   39.587   23.905   39.587   23.905 -0.000000 0.000000 
1 1 1   11    0   53 o   23.992   11.802  -5.5877   6.6582  -5.5877   6.6582  -5.5877   6.6582   23.992   16.691   23.992   16.691 -0.000000 0.000000 
1 1 1   11    0   54 o   36.806   16.285   2.6012   8.1594   2.6012   8.1594   2.6012   8.1594   36.806   23.031   36.806   23.031 -0.000000 0.000000 
1 1 1   11    0   55 o  111.103   12.485   31.970   8.4745   31.970   8.4745   31.970   8.4745  111.103   17.657  111.103   17.657 -0.000000 0.000000 
1 1 1   11    0   56 o   93.964   15.698   24.888   8.4662   24.888   8.4662   24.888   8.4662   93.964   22.201   93.964   22.201 -0.000000 0.000000 
1 1 1   11    0   57 o   45.621   17.263   7.8582   7.1244   7.8582   7.1244   7.8582   7.1244   45.621   24.414   45.621   24.414 -0.000000 0.000000 
1 1 1   11    0   58 o   34.164   15.269   1.9868   7.3739   1.9868   7.3739   1.9868   7.3739   34.164   21.593   34.164   21.593 -0.000000 0.000000 
1 1 1   11    0   59 o   26.719   13.128  -5.9387   8.1679  -5.9387   8.1679  -5.9387   8.1679   26.719   18.565   26.719   18.565 -0.000000 0.000000 
1 1 1   11    0   60 o   80.863   21.189   23.277   10.512   23.277   10.512   23.277   10.512   80.863   29.966   80.863   29.966 -0.000000 0.000000 
1 1 1   11    0   61 o   33.784   14.797   2.8523   6.5650   2.8523   6.5650   2.8523   6.5650   33.784   20.925   33.784   20.925 -0.000000 0.000000 
1 1 1   11    0   62 o   22.148   11.319 -14.2437   8.6142 -14.2437   8.6142 -14.2437   8.6142   22.148   16.007   22.148   16.007 -0.000000 0.000000 
1 1 1   11    0   63 o   46.155   18.843   9.1461   9.2889   9.1461   9.2889   9.1461   9.2889   46.155   26.648   46.155   26.648 -0.000000 0.000000 
1 1 1   11    0   64 o   49.318   19.363   11.049   9.3085   11.049   9.3085   11.049   9.3085   49.318   27.383   49.318   27.383 -0.000000 0.000000 
1 1 1   11    0   65 o   33.066   15.206   1.9066   7.9953   1.9066   7.9953   1.9066   7.9953   33.066   21.504   33.066   21.504 -0.000000 0.000000 
1 1 1   11    0   66 o   30.661   15.126  -4.9242   11.151  -4.9242   11.151  -4.9242   11.151   30.661   21.391   30.661   21.391 -0.000000 0.000000 
1 1 1   11    1    0 o  161.488   11.120   62.764   11.610   62.764   11.610   62.764   11.610  161.488   15.726  161.488   15.726 -0.000000 0.000000 
1 1 1   11    1    1 o  223.820   12.294  118.984   12.516  111.165   19.784  124.202   16.162  217.488   19.464  230.153   15.025 -12.66493 24.58883 
1 1 1   11    1    2 o  346.952   16.676  285.779   25.381  277.470   43.965  289.933   31.084  342.622   27.457  351.283   18.934 -8.660156 33.35199 
1 1 1   11    1    3 o  413.337   19.481  406.480   35.338  396.286   61.208  411.578   43.280  408.577   32.055  418.098   22.150 -9.521057 38.96299 
1 1 1   11    1    4 o  216.662   9.7952  109.558   9.8332  113.485   15.031  106.619   13.001  220.005   14.619  213.320   13.041 6.685883 19.59044 
1 1 1   11    1    5 o  164.907   8.3265   64.313   6.3141   59.810   9.6449   67.690   8.3528  159.769   12.917  170.046   10.511 -10.27705 16.65293 
1 1 1   11    1    6 o   94.495   6.9618   21.191   3.0183   19.114   4.5966   22.766   4.0020   90.349   10.886   98.640   8.6811 -8.291000 13.92356 
1 1 1   11    1    7 o  361.982   16.128  309.094   27.278  302.034   38.573  316.157   38.581  357.808   23.067  366.156   22.546 -8.347595 32.25548 
1 1 1   11    1    8 o  506.216   22.572  610.395   53.400  610.950   75.519  609.840   75.519  506.450   31.906  505.981   31.936 0.4692688 45.14323 
1 1 1   11    1    9 o  239.091   11.483  134.284   12.830  132.445   18.135  136.128   18.153  237.444   16.342  240.739   16.135 -3.294724 22.96516 
1 1 1   11    1   10 o  110.001   8.8691   28.661   4.4162   29.630   5.6412   27.128   7.0975  112.473   10.732  107.528   14.123 4.944695 17.73829 
1 1 1   11    1   11 o  387.477   18.711  348.928   33.411  316.582   43.110  397.578   52.870  365.684   25.225  409.270   27.641 -43.58582 37.42110 
1 1 1   11    1   12 o  111.874   9.3081   30.449   4.6465   34.021   5.9831   25.021   7.3756  120.520   10.622  103.228   15.288 17.29152 18.61626 
1 1 1   11    1   13 o  342.707   17.653  279.384   27.620  284.623   35.649  271.517   43.685  347.246   21.967  338.168   27.641 9.077942 35.30699 
1 1 1   11    1   14 o  430.946   21.061  441.235   41.587  436.975   53.669  447.636   65.789  429.130   26.760  432.762   32.528 -3.632172 42.12136 
1 1 1   11    1   15 o  727.168   37.036  1320.39  122.654  1354.23  158.344  1269.63  193.935  744.067   45.535  710.269   58.424 33.79730 74.07288 
1 1 1   11    1   16 f  249.615   11.842  146.953   13.752  163.072   19.465  130.888   19.433  263.408   15.812  235.822   17.632 27.58534 23.68357 
1 1 1   11    1   17 o  203.798   11.436  101.324   10.439   81.623   16.284  115.069   13.601  186.135   18.719  221.461   13.141 -35.32617 22.87152 
1 1 1   11    1   18 o  251.940   13.164  149.226   15.211  151.146   23.996  147.936   19.668  253.100   20.286  250.779   16.781 2.320618 26.32756 
1 1 1   11    1   19 o  361.029   23.771  312.248   37.840  310.564   46.384  315.598   65.430  361.206   27.477  360.852   38.798 0.3539734 47.54186 
1 1 1   11    1   20 o  407.280   28.520  406.725   50.924  411.145   62.403  397.915   88.108  413.688   32.277  400.872   47.029 12.81641 57.03979 
1 1 1   11    1   21 o  215.299   15.758  106.388   15.081  120.918   26.349   99.309   18.392  225.504   25.002  205.094   19.188 20.41068 31.51618 
1 1 1   11    1   22 o  168.594   16.661   67.477   13.120   65.456   18.669   69.449   18.442  166.045   24.058  171.144   23.057 -5.099091 33.32286 
1 1 1   11    1   23 o  136.152   17.250   45.904   10.508   34.259   15.155   56.685   14.583  117.464   28.002  154.841   20.152 -37.37673 34.49936 
1 1 1   11    1   24 o  366.061   30.381  334.756   51.655  294.588   73.066  374.891   73.036  342.586   45.636  389.535   40.119 -46.94910 60.76276 
1 1 1   11    1   25 o  466.774   36.800  539.170   80.279   0.0000   0.0000  539.170   80.279  ?   ?   466.774   36.800      ?      ? 
1 1 1   11    1   26 o  241.775   20.631  139.347   23.311   0.0000   0.0000  139.347   23.311  ?   ?   241.775   20.631      ?      ? 
1 1 1   11    1   27 o  108.852   15.794   28.026   8.0348   0.0000   0.0000   28.026   8.0348  ?   ?   108.852   15.794      ?      ? 
1 1 1   11    1   28 o  148.103   13.414   50.536   8.9145   58.026   15.272   46.666   10.979  155.872   20.965  140.335   16.740 15.53758 26.82805 
1 1 1   11    1   29 o  179.099   17.352   77.310   14.523   75.931   20.439   78.715   20.638  177.463   24.644  180.735   24.433 -3.271530 34.70351 
1 1 1   11    1   30 o  139.743   13.142   44.057   8.2198   38.607   10.033   55.184   14.336  127.532   16.833  151.955   20.187 -24.42372 26.28424 
1 1 1   11    1   31 o  404.387   27.809  404.333   50.141  373.080   61.387  466.983   86.915  386.112   34.019  422.663   44.001 -36.55045 55.61762 
1 1 1   11    1   32 o  234.820   17.541  133.113   18.201  130.533   22.298  138.264   31.506  232.977   20.479  236.663   28.485 -3.686356 35.08296 
1 1 1   11    1   33 o  219.496   13.683  115.849   14.033  113.351   19.897  118.322   19.794  217.056   19.614  221.935   19.083 -4.879211 27.36597 
1 1 1   11    1   34 o  434.393   25.323  486.924   51.016  550.569   72.203  423.477   72.090  465.661   33.178  403.126   38.264 62.53491 50.64500 
1 1 1   11    1   35 o  236.811   18.869  140.428   19.378  133.653   33.875  143.724   23.626  229.909   31.527  243.712   20.743 -13.80304 37.73865 
1 1 1   11    1   36 o   83.501   16.852   16.348   7.3524   26.758   11.009   7.9665   9.8782  102.630   23.464   64.373   24.196 38.25716 33.70492 
1 1 1   11    1   38 f  110.751   14.227   31.163   6.6373   32.565   8.0686   28.230   11.673  116.714   14.792  104.787   24.307 11.92690 28.45377 
1 1 1   11    1   39 o  152.209   11.821   56.233   8.3476   62.908   11.695   49.300   11.919  161.820   15.464  142.598   17.885 19.22234 23.64301 
1 1 1   11    1   40 o  132.475   10.124   41.499   6.1978   38.591   8.0753   45.667   9.6682  127.062   13.599  137.887   15.003 -10.82478 20.24892 
1 1 1   11    1   41 o  107.243   12.378   31.288   5.5279   41.793   7.2910   17.087   8.4776  132.669   11.759   81.816   21.784 50.85207 24.75534 
1 1 1   11    1   42 o  114.293   14.537   34.988   6.5446   37.687   7.6843   27.860   12.488  125.634   13.087  102.951   25.961 22.68230 29.07312 
1 1 1   11    1   43 o   76.754   13.603   14.728   4.9033   18.961   7.3760   11.376   6.5635   86.371   18.806   67.137   19.659 19.23418 27.20584 
1 1 1   11    1   44 o   65.713   12.900   7.5308   4.9738   21.536   7.8914  -1.7003   6.4066   92.025   18.979   39.400   17.476 52.62414 25.79930 
1 1 1   11    1   45 o  245.612   15.420  158.319   16.602  120.320   26.224  183.737   21.447  216.420   25.927  274.803   16.700 -58.38338 30.84001 
1 1 1   11    1   46 o   98.177   11.566   24.041   5.0777   18.422   7.1635   29.716   7.1986   85.156   18.527  111.198   13.852 -26.04225 23.13253 
1 1 1   11    1   47 o  193.328   12.310   91.578   10.803   92.925   13.817   89.458   17.330  196.192   15.069  190.464   19.469 5.728088 24.61962 
1 1 1   11    1   48 o  129.146   10.422   41.250   6.1035   51.789   8.5757   30.431   8.6886  146.869   12.494  111.422   16.685 35.44721 20.84464 
1 1 1   11    1   49 o  230.182   12.087  130.207   12.967  141.533   18.410  119.055   18.268  240.585   16.373  219.779   17.785 20.80577 24.17423 
1 1 1   11    1   50 o   46.974   12.941   3.5146   4.2647  -1.1774   7.1690   6.0844   5.3056   42.325   18.643   51.623   17.954 -9.297817 25.88268 
1 1 1   11    1   51 o   71.529   15.975   13.073   6.0297   16.348   8.8701   10.259   8.2213   78.390   22.825   64.667   22.357 13.72310 31.95047 
1 1 1   11    1   52 o   59.320   17.311   5.0246   7.7653   5.0655   10.593   4.9769   11.416   58.678   24.097   59.963   24.858 -1.284496 34.62105 
1 1 1   11    1   53 o  135.060   12.515   45.930   7.8084   53.920   11.118   38.152   10.969  147.486   16.130  122.635   19.139 24.85086 25.02917 
1 1 1   11    1   54 o   99.708   13.793   26.076   6.1299   26.299   9.4451   25.913   8.0573   99.237   21.019  100.179   17.865 -0.9420242 27.58546 
1 1 1   11    1   55 o   35.640   11.437  -4.9822   4.3958 -10.7814   6.1097   1.2416   6.3294   28.327   13.854   42.954   18.202 -14.62731 22.87493 
1 1 1   11    1   56 o   68.649   14.608   12.606   5.1109   14.931   7.3656   10.447   7.0977   74.167   20.544   63.131   20.773 11.03517 29.21600 
1 1 1   11    1   57 o  202.487   11.810  104.942   11.165  100.299   15.815  109.557   15.765  197.566   17.128  207.408   16.264 -9.842041 23.61970 
1 1 1   11    1   58 o   76.791   15.215   16.579   5.6888   17.721   7.5902   15.115   8.5932   80.292   20.235   73.290   22.727 7.002655 30.42998 
1 1 1   11    1   59 o   72.857   15.607   15.217   6.1022   20.810   8.5144   9.3090   8.7500   85.451   21.374   60.263   22.747 25.18809 31.21349 
1 1 1   11    1   60 o   42.259   13.438  -1.5190   5.1964   2.9490   9.1130  -3.6717   6.3255   49.659   21.456   34.859   16.184 14.79918 26.87556 
1 1 1   11    1   61 o   54.695   14.204   4.9399   5.0364   14.771   8.4074  -0.5626   6.2898   70.573   22.562   38.817   17.262 31.75627 28.40786 
1 1 1   11    1   62 o   70.548   15.057   13.559   6.5483   27.886   9.6284   1.2296   8.9322   95.182   22.074   45.913   20.483 49.26958 30.11306 
1 1 1   11    1   63 o   62.584   13.905   11.583   4.9254   17.545   7.0336   5.8449   6.8996   76.161   19.635   49.007   19.695 27.15390 27.81078 
1 1 1   11    1   64 o   55.437   15.729   8.3972   5.8236   6.4449   7.0088   12.750   10.466   49.656   19.888   61.219   24.375 -11.56348 31.45859 
1 1 1   11    1   65 o   53.482   15.388   5.0340   6.7060  -4.6179   8.9420   17.439   10.137   38.645   18.342   68.318   24.712 -29.67282 30.77561 
1 1 1   11    1   66 o   34.088   16.970 -16.4925   10.689   0.0000   0.0000 -16.4925   10.689  ?   ?    34.088   16.970      ?      ? 
1 1 1   11    2    0 o  1022.49   45.324  2548.45  303.538  2548.45  303.538  2548.45  303.538  1022.49   64.098  1022.49   64.098 -0.000000 0.000000 
1 1 1   11    2    1 o  437.278   21.595  452.721   43.257  456.368   68.400  450.291   55.841  438.128   33.405  436.429   27.378 1.698090 43.19081 
1 1 1   11    2    2 o  1018.74   45.992  2586.83  218.951  2627.67  309.644  2546.00  309.642  1027.32   64.493  1010.16   65.588 17.15375 91.98474 
1 1 1   11    2    3 o  398.068   16.079  372.257   29.645  381.305   45.284  365.470   39.216  402.088   24.098  394.048   21.295 8.039551 32.15836 
1 1 1   11    2    4 o  301.709   11.941  213.738   16.834  208.866   23.807  218.611   23.806  298.253   17.079  305.164   16.692 -6.911407 23.88147 
1 1 1   11    2    5 o  121.976   6.6677   34.923   3.7827   38.924   5.3566   30.943   5.3427  128.976   8.8865  114.976   9.9429 14.00035 13.33533 
1 1 1   11    2    6 o  296.638   11.622  206.662   16.106  212.896   22.779  200.428   22.777  301.134   16.186  292.141   16.683 8.993347 23.24399 
1 1 1   11    2    7 o  130.473   6.8005   39.888   4.1373   43.212   5.8761   36.620   5.8264  135.876   9.2534  125.069   9.9680 10.80747 13.60097 
1 1 1   11    2    8 o  330.998   12.824  257.685   19.835  261.733   28.051  253.637   28.051  333.614   17.991  328.381   18.278 5.233124 25.64720 
1 1 1   11    2    9 o  521.174   19.611  644.970   47.721  613.097   67.483  676.853   67.493  508.086   28.419  534.261   27.031 -26.17404 39.22181 
1 1 1   11    2   10 o  448.636   19.864  478.009   41.645  486.193   58.889  469.823   58.900  452.540   27.844  444.732   28.338 7.808868 39.72859 
1 1 1   11    2   11 o  409.979   21.268  408.055   39.414  436.959   50.878  364.677   62.328  429.589   25.341  390.370   34.164 39.21954 42.53651 
1 1 1   11    2   12 o  415.814   18.955  410.880   36.721  447.654   51.932  374.108   51.931  434.737   25.560  396.891   27.997 37.84558 37.90980 
1 1 1   11    2   13 o  650.858   32.683  1036.53   97.222  1025.46  153.700  1043.90  125.524  644.890   50.997  656.826   40.891 -11.93634 65.36675 
1 1 1   11    2   14 o  178.605   9.4332   74.904   7.8625   70.216   11.116   79.596   11.122  172.986   13.750  184.223   12.918 -11.23746 18.86647 
1 1 1   11    2   15 o  206.026   10.279   99.690   9.8934   96.407   13.985  102.978   13.998  202.614   14.769  209.438   14.301 -6.823730 20.55813 
1 1 1   11    2   16 o  283.066   14.672  188.392   19.071  192.971   30.047  185.303   24.679  285.687   22.505  280.445   18.830 5.242432 29.34300 
1 1 1   11    2   17 o  533.230   27.059  703.980   64.943  612.645  102.621  764.997   83.876  500.908   43.836  565.551   31.734 -64.64258 54.11715 
1 1 1   11    2   18 o  791.914   59.564  1716.68  205.031  1732.56  251.112  1684.93  355.121  820.093   65.518  763.734   99.493 56.35846 119.1277 
1 1 1   11    2   19 o  551.074   35.457  749.711   78.742  744.929   90.937  764.037  157.413  556.053   34.993  546.095   61.678 9.957886 70.91323 
1 1 1   11    2   20 o  425.021   26.549  421.430   46.384  403.423   53.575  475.328   92.689  411.145   27.882  438.897   45.188 -27.75256 53.09761 
1 1 1   11    2   21 o  109.726   13.281   28.763   6.6374   25.243   9.1317   32.705   9.6642  101.657   19.933  117.794   17.555 -16.13644 26.56146 
1 1 1   11    2   22 o  151.609   16.245   54.102   11.510   0.0000   0.0000   54.102   11.510  ?   ?   151.609   16.245      ?      ? 
1 1 1   11    2   23 o  199.184   18.137  103.305   14.573   76.925   25.356  116.317   17.808  176.245   31.961  222.122   17.155 -45.87779 36.27371 
1 1 1   11    2   24 o  110.794   13.496   27.739   6.6018   35.916   11.456   23.672   8.0780  123.063   19.919   98.525   18.215 24.53859 26.99119 
1 1 1   11    2   25 o  169.919   11.994   68.364   9.5136   72.614   13.526   64.202   13.384  175.204   16.519  164.635   17.395 10.56877 23.98841 
1 1 1   11    2   26 o  123.391   11.281   35.995   6.4866   39.798   9.3117   32.410   9.0413  129.775   15.353  117.008   16.534 12.76725 22.56289 
1 1 1   11    2   27 o  298.800   21.757  218.864   28.567  220.017   35.034  216.575   49.347  302.308   24.797  295.291   35.758 7.017395 43.51423 
1 1 1   11    2   28 o  117.667   13.660   32.590   6.9415   36.205   12.134   30.832   8.4632  121.190   22.243  114.144   15.865 7.046738 27.32086 
1 1 1   11    2   29 f  188.758   15.588   87.444   12.817   79.361   22.021   91.585   15.761  181.071   26.022  196.446   17.168 -15.37576 31.17523 
1 1 1   11    2   30 o   69.195   14.755   11.787   5.1060   9.3239   8.7049   13.079   6.3045   65.662   22.988   72.728   18.504 -7.066689 29.50970 
1 1 1   11    2   31 o  180.285   18.462   80.875   14.836   62.281   20.834  100.008   21.133  156.822   29.509  203.747   22.194 -46.92580 36.92358 
1 1 1   11    2   32 o  280.531   24.949  201.362   32.286  235.538   45.648  167.153   45.670  306.617   31.855  254.445   38.405 52.17178 49.89726 
1 1 1   11    2   33 o  157.537   13.417   59.216   8.4689   58.841   9.7324   60.385   17.188  157.620   13.212  157.455   23.357 0.1654358 26.83470 
1 1 1   11    2   34 o  168.378   15.027   70.899   9.9405   73.096   11.445   64.151   20.058  175.519   13.952  161.236   26.618 14.28239 30.05316 
1 1 1   11    2   35 o  255.504   22.848  166.012   27.257  172.120   38.327  159.761   38.771  260.807   31.444  250.200   33.158 10.60741 45.69637 
1 1 1   11    2   36 o  173.531   23.772   73.946   19.279   73.946   19.279   0.0000   0.0000  173.531   23.772  ?   ?       ?      ? 
1 1 1   11    2   37 f  212.075   19.544  108.955   19.371  108.955   19.371   0.0000   0.0000  212.075   19.544  ?   ?       ?      ? 
1 1 1   11    2   38 o   46.098   16.928   4.1760   4.7828   4.1760   4.7828   0.0000   0.0000   46.098   16.928  ?   ?       ?      ? 
1 1 1   11    2   39 f  130.406   11.039   41.005   6.6930   36.252   9.4442   45.800   9.4866  122.582   16.485  138.232   14.685 -15.64992 22.07719 
1 1 1   11    2   40 o   46.320   12.332   3.9490   3.5873   3.8572   4.6627   4.0821   5.6154   44.873   16.671   47.767   18.176 -2.893898 24.66360 
1 1 1   11    2   41 o   71.252   12.637   12.642   4.1450   12.058   5.3727   13.500   6.5148   69.367   16.760   73.136   18.918 -3.769394 25.27404 
1 1 1   11    2   42 o   78.347   12.295   16.157   4.5088   20.987   5.9425   9.6048   6.9218   93.654   13.577   63.041   20.503 30.61319 24.59057 
1 1 1   11    2   43 o  170.280   12.172   70.788   9.6359   79.850   13.771   62.097   13.487  181.358   16.248  159.203   18.127 22.15485 24.34336 
1 1 1   11    2   44 o   55.310   13.814   6.1749   4.5732   10.104   6.8856   3.0741   6.1172   63.975   20.415   46.646   18.615 17.32874 27.62759 
1 1 1   11    2   45 o  186.263   13.315   85.750   11.366  106.596   16.341   66.210   15.821  209.308   16.705  163.218   20.740 46.09039 26.63079 
1 1 1   11    2   46 o   46.029   13.756   0.0330   4.8690   4.5445   8.4775  -2.1878   5.9478   54.889   21.911   37.169   16.639 17.71973 27.51256 
1 1 1   11    2   47 o   49.400   13.094   4.6103   4.1710   6.4215   5.5308   2.2217   6.3514   53.135   18.339   45.666   18.695 7.469051 26.18850 
1 1 1   11    2   48 o   64.511   13.167   9.8428   4.4184   15.882   6.6893   5.1687   5.8848   78.612   18.513   50.409   18.729 28.20349 26.33434 
1 1 1   11    2   49 o  104.074   13.493   29.100   6.0215   33.847   7.6334   21.279   9.7975  118.434   13.791   89.715   23.196 28.71922 26.98621 
1 1 1   11    2   50 o  148.129   10.564   54.149   7.1818   63.769   9.9902   43.859   10.332  162.609   13.146  133.649   16.541 28.95938 21.12848 
1 1 1   11    2   51 o   66.016   16.211   10.535   6.1288   8.5415   8.3078   12.915   9.0783   61.181   22.334   70.851   23.502 -9.670689 32.42154 
1 1 1   11    2   52 o  110.401   18.576   35.938   9.1552   39.845   10.837   26.198   17.111  125.963   18.408   94.838   32.272 31.12466 37.15269 
1 1 1   11    2   53 o   63.625   14.178   9.9318   5.1058   15.527   7.1504   4.1111   7.2932   76.630   19.818   50.619   20.282 26.01117 28.35697 
1 1 1   11    2   54 o   71.799   15.074   14.023   5.4964   11.015   8.6284   16.076   7.1302   65.802   22.895   77.796   19.616 -11.99400 30.14878 
1 1 1   11    2   55 o   63.757   15.273   10.483   5.3460   9.4792   8.8452   11.061   6.7103   62.669   23.020   64.845   20.080 -2.176144 30.54673 
1 1 1   11    2   56 f   47.351   14.246   1.8284   5.5210   1.6783   7.8506   1.9752   7.7658   47.228   20.151   47.474   20.142 -0.2459030 28.49170 
1 1 1   11    2   57 o   55.201   14.824   5.0236   5.7275   12.727   8.5107  -1.3531   7.7434   67.940   22.761   42.462   18.998 25.47839 29.64783 
1 1 1   11    2   58 f   59.648   14.868   8.8884   5.4784   12.862   7.2973   3.7566   8.2931   68.391   20.900   50.905   21.152 17.48535 29.73604 
1 1 1   11    2   59 o   78.473   14.939   18.967   5.9889   10.216   9.9585   23.926   7.4959   62.590   24.110   94.355   17.648 -31.76486 29.87846 
1 1 1   11    2   60 o   67.774   15.448   12.186   5.5379   19.638   9.2189   7.9791   6.9269   80.297   23.238   55.252   20.360 25.04546 30.89536 
1 1 1   11    2   61 o   52.522   15.410   5.2140   6.2368   2.9482   9.7528   6.7817   8.1125   50.857   22.085   54.188   21.496 -3.330421 30.81930 
1 1 1   11    2   62 o   45.978   14.779   0.1241   6.8645  -2.9931   11.371   1.9115   8.6104   45.861   21.427   46.094   20.361 -0.2326202 29.55849 
1 1 1   11    2   63 f   78.426   19.068   20.217   7.0283   18.425   7.6229   30.383   18.152   76.928   20.733   79.924   32.007 -2.995903 38.13558 
1 1 1   11    2   64 o   40.825   13.262  -0.8115   5.5304  -0.8722   6.8319  -0.6961   9.4196   38.186   17.390   43.463   20.026 -5.276733 26.52318 
1 1 1   11    2   65 o   42.548   19.138   1.2628   7.9708   1.2628   7.9708   0.0000   0.0000   42.548   19.138  ?   ?       ?      ? 
1 1 1   11    3    0 o  347.144   13.474  284.983   30.702  284.983   30.702  284.983   30.702  347.144   19.055  347.144   19.055 -0.000000 0.000000 
1 1 1   11    3    1 o  812.760   33.479  1608.22  125.512  1645.49  166.039  1558.54  191.721  826.386   42.992  799.135   51.334 27.25092 66.95880 
1 1 1   11    3    2 o  471.897   20.959  528.175   46.224  525.215   65.373  531.135   65.367  470.554   29.727  473.239   29.555 -2.684906 41.91879 
1 1 1   11    3    3 f  502.362   21.858  599.763   51.287  576.424   72.528  623.106   72.533  492.421   31.516  512.304   30.295 -19.88284 43.71507 
1 1 1   11    3    4 o  155.964   7.7108   55.968   5.5702   66.793   8.5277   47.912   7.3563  168.890   10.804  143.037   11.004 25.85353 15.42156 
1 1 1   11    3    5 o  176.937   8.4341   72.510   6.9245   66.648   9.1490   80.371   10.595  168.673   11.606  185.200   12.241 -16.52701 16.86819 
1 1 1   11    3    6 f  260.874   10.332  159.762   12.587  152.386   17.796  167.144   17.804  254.822   14.943  266.927   14.272 -12.10461 20.66392 
1 1 1   11    3    7 f  155.370   7.4322   56.542   5.3953   55.070   7.6301   58.013   7.6300  153.343   10.647  157.396   10.373 -4.053192 14.86435 
1 1 1   11    3    8 o  461.947   17.202  505.473   37.042  547.067   52.391  463.898   52.379  481.208   23.296  442.686   25.317 38.52237 34.40448 
1 1 1   11    3    9 o  499.934   19.216  592.931   44.897  588.246   63.497  597.615   63.491  497.929   27.286  501.940   27.065 -4.010712 38.43264 
1 1 1   11    3   10 o  275.088   11.861  178.447   15.061  181.826   19.912  173.930   23.025  278.274   15.311  271.903   18.120 6.371521 23.72224 
1 1 1   11    3   11 o  361.776   16.589  309.349   28.046  306.176   39.652  312.525   39.675  359.900   23.574  363.652   23.345 -3.752289 33.17721 
1 1 1   11    3   12 o  370.000   16.595  323.631   28.696  320.975   40.568  326.291   40.597  368.465   23.558  371.536   23.380 -3.071136 33.19078 
1 1 1   11    3   13 o  297.373   13.441  208.307   18.674  214.083   26.400  202.522   26.419  301.533   18.734  293.213   19.279 8.320129 26.88215 
1 1 1   11    3   14 o  294.776   13.364  204.703   18.410  206.936   25.988  202.453   26.082  296.408   18.760  293.145   19.038 3.263031 26.72812 
1 1 1   11    3   15 o  400.347   22.965  385.632   42.611  441.234   60.245  329.970   60.277  430.083   29.973  370.611   34.801 59.47220 45.92917 
1 1 1   11    3   16 o  150.386   10.813   53.324   7.5278   44.405   10.530   62.644   10.765  137.420   16.397  163.353   14.101 -25.93318 21.62613 
1 1 1   11    3   17 o  617.814   33.513  939.122   96.764  934.032  136.824  944.216  136.867  616.056   47.522  619.573   47.268 -3.516968 67.02695 
1 1 1   11    3   18 f  177.730   12.586   69.189   10.013   57.334   12.198   93.675   17.531  156.105   16.720  199.356   18.816 -43.25050 25.17170 
1 1 1   11    3   19 o  300.745   17.325  215.082   24.282  233.653   34.357  196.550   34.321  313.941   23.417  287.548   25.540 26.39328 34.64982 
1 1 1   11    3   20 o  511.794   28.791  642.660   68.434  721.732   96.773  563.563   96.789  544.860   38.004  478.729   43.261 66.13150 57.58263 
1 1 1   11    3   21 o  383.823   27.195  357.879   45.996  360.069   79.419  356.774   56.421  382.142   44.469  385.504   31.316 -3.361145 54.38937 
1 1 1   11    3   22 o  343.967   27.457  282.346   44.138   0.0000   0.0000  282.346   44.138  ?   ?   343.967   27.457      ?      ? 
1 1 1   11    3   23 o  410.160   23.085  407.632   44.086  368.438   62.361  446.791   62.334  389.719   34.239  430.601   30.975 -40.88144 46.17060 
1 1 1   11    3   24 o  259.403   15.528  160.434   18.810  167.627   26.595  153.234   26.608  265.341   21.446  253.466   22.462 11.87471 31.05621 
1 1 1   11    3   25 o  412.647   23.311  418.913   44.773  460.688   63.348  377.218   63.288  434.278   31.212  391.015   34.633 43.26242 46.62220 
1 1 1   11    3   26 o  216.679   13.506  111.891   13.638  102.894   19.365  120.744   19.209  207.850   19.935  225.507   18.227 -17.65727 27.01123 
1 1 1   11    3   27 o  313.127   17.879  236.383   26.164  235.277   37.026  237.485   36.978  312.367   25.363  313.888   25.207 -1.521149 35.75885 
1 1 1   11    3   28 o  316.000   18.439  241.503   27.224  235.540   38.549  247.436   38.452  311.959   26.441  320.041   25.708 -8.082611 36.87829 
1 1 1   11    3   29 o  147.463   11.456   51.427   7.8738   56.929   11.395   46.400   10.893  155.055   15.724  139.870   16.664 15.18512 22.91147 
1 1 1   11    3   30 o  191.431   11.281   86.203   9.9280   83.168   12.830   90.733   15.674  187.486   14.642  195.376   17.166 -7.889832 22.56268 
1 1 1   11    3   31 o  130.176   10.838   40.271   6.5745   41.230   9.0310   39.189   9.5897  131.913   14.649  128.439   15.976 3.474060 21.67522 
1 1 1   11    3   32 o   93.325   14.201   20.816   5.7186   24.538   10.076   19.047   6.9455   98.828   22.341   87.822   17.536 11.00592 28.40145 
1 1 1   11    3   33 o  140.466   10.964   46.959   7.1951   45.229   10.091   48.748   10.262  137.808   15.668  143.125   15.341 -5.317108 21.92842 
1 1 1   11    3   34 o  229.392   20.117  130.861   21.534  121.748   30.143  140.358   30.773  220.865   29.203  237.919   27.676 -17.05403 40.23376 
1 1 1   11    3   35 o  103.959   17.479   28.080   8.8481   16.480   13.174   37.614   11.943   83.271   28.316  124.647   20.501 -41.37666 34.95855 
1 1 1   11    3   36 o  362.700   30.982  334.332   52.517  334.332   52.517   0.0000   0.0000  362.700   30.982  ?   ?       ?      ? 
1 1 1   11    3   37 o  201.719   19.591   98.671   18.469   98.671   18.469   0.0000   0.0000  201.719   19.591  ?   ?       ?      ? 
1 1 1   11    3   38 o   78.787   14.806   14.407   5.1587   12.300   6.1068   19.657   9.6393   69.991   18.419   87.584   23.186 -17.59338 29.61144 
1 1 1   11    3   39 o  138.934   10.945   46.275   7.0626   39.620   9.7085   53.756   10.293  128.167   16.208  149.702   14.712 -21.53499 21.88965 
1 1 1   11    3   40 o  251.770   15.828  159.163   18.105  200.731   25.691  118.151   25.518  286.813   19.166  216.728   25.194 70.08568 31.65534 
1 1 1   11    3   41 o  365.910   19.242  336.221   32.377  318.289   41.789  363.150   51.212  356.034   25.115  375.786   29.160 -19.75259 38.48427 
1 1 1   11    3   42 o  176.859   12.397   76.197   10.208   84.285   14.530   68.315   14.344  186.474   16.673  167.245   18.352 19.22829 24.79465 
1 1 1   11    3   43 o  112.418   10.719   31.315   5.4195   34.047   6.9928   27.204   8.5757  119.308   12.541  105.529   17.388 13.77837 21.43899 
1 1 1   11    3   44 o   33.295   10.667  -2.6821   3.6028  -0.9972   4.6939  -5.0979   5.6206   34.375   15.115   32.216   15.056 2.158939 21.33433 
1 1 1   11    3   45 o  111.555   11.830   30.314   6.1599   31.862   8.6856   28.747   8.7374  114.555   16.223  108.554   17.222 6.000999 23.66020 
1 1 1   11    3   46 o   60.386   13.872   8.7548   4.5045   10.298   6.5061   7.3340   6.2427   64.275   19.750   56.497   19.485 7.778648 27.74381 
1 1 1   11    3   47 o   98.987   13.221   24.642   5.9609   21.427   8.5190   27.725   8.3437   91.288   20.473  106.686   16.734 -15.39761 26.44187 
1 1 1   11    3   48 o   97.778   12.471   24.718   5.3878   27.974   7.0671   20.200   8.3258  107.499   14.067   88.057   20.598 19.44196 24.94285 
1 1 1   11    3   49 o  103.091   13.700   28.440   6.2598   17.309   9.2498   37.846   8.5027   81.161   23.215  125.022   14.552 -43.86177 27.39923 
1 1 1   11    3   50 o  127.999   11.354   40.890   6.5994   44.029   8.6164   36.436   10.264  134.878   13.669  121.120   18.133 13.75809 22.70767 
1 1 1   11    3   51 o  133.725   12.747   44.630   7.9658   45.404   11.328   43.873   11.204  134.900   17.968  132.550   18.087 2.349518 25.49423 
1 1 1   11    3   52 o   98.049   19.501   23.858   8.0592   20.918   9.0909   34.652   17.418   88.324   22.082  107.774   32.148 -19.45029 39.00162 
1 1 1   11    3   53 o  112.537   14.568   33.149   7.4442   34.636   10.107   31.386   11.006  117.063   18.474  108.011   22.531 9.051979 29.13690 
1 1 1   11    3   54 o  100.881   16.969   27.006   7.1429   30.612   14.096   25.760   8.2855  102.284   28.451   99.477   18.503 2.807404 33.93860 
1 1 1   11    3   55 o   65.719   15.521   10.555   5.9477   4.8951   8.2632   16.639   8.5676   53.501   21.535   77.938   22.358 -24.43710 31.04246 
1 1 1   11    3   56 o   58.276   15.829   7.4101   6.1464   4.7885   8.7168   10.002   8.6679   53.659   21.927   62.892   22.835 -9.232975 31.65833 
1 1 1   11    3   57 o   37.616   12.295  -6.6616   5.4572 -15.4964   8.1928   0.3847   7.3167   31.543   15.550   43.690   19.049 -12.14686 24.58984 
1 1 1   11    3   58 o  104.831   14.236   29.486   6.6736   33.461   10.227   26.538   8.8072  110.768   20.511   98.893   19.747 11.87509 28.47200 
1 1 1   11    3   59 f  117.432   15.286   38.480   8.0697   26.763   10.853   52.964   12.067   94.013   24.466  140.851   18.332 -46.83774 30.57231 
1 1 1   11    3   60 o   42.077   12.932   0.7669   4.7814   2.6430   6.7574  -1.1142   6.7663   44.849   18.895   39.304   17.660 5.544544 25.86319 
1 1 1   11    3   61 o   43.534   12.776   0.8382   4.9666  -9.8980   8.2092   7.0369   6.2377   34.591   16.719   52.477   19.323 -17.88527 25.55184 
1 1 1   11    3   62 o   43.531   13.401   1.5434   5.0574   4.4498   7.8465  -0.5220   6.6147   48.300   20.356   38.762   17.434 9.538437 26.80142 
1 1 1   11    3   63 o   69.038   14.993   15.190   5.3278   13.743   7.5509   16.624   7.5184   65.545   21.419   72.531   20.984 -6.986900 29.98513 
1 1 1   11    3   64 o   53.061   13.599   7.1242   5.3769  -4.4601   8.6693   14.366   6.8545   38.594   18.242   67.529   20.172 -28.93455 27.19722 
1 1 1   11    3   65 o   47.988   14.256   5.4775   5.6278   0.7034   9.2581   8.2755   7.0877   43.736   20.041   52.241   20.279 -8.505131 28.51147 
1 1 1   11    4    0 o  852.596   32.222  1745.61  180.387  1745.61  180.387  1745.61  180.387  852.596   45.568  852.596   45.568 -0.000000 0.000000 
1 1 1   11    4    1 o  705.995   27.099  1196.93   89.389  1227.98  126.416  1165.87  126.415  715.406   37.810  696.584   38.831 18.82159 54.19845 
1 1 1   11    4    2 o  434.629   17.853  449.702   35.749  466.354   47.294  427.504   54.603  444.563   22.763  424.695   27.511 19.86819 35.70689 
1 1 1   11    4    3 o  598.182   25.960  858.600   72.461  804.881  102.472  912.325  102.478  578.966   37.871  617.398   35.516 -38.43225 51.91929 
1 1 1   11    4    4 o  563.450   23.065  755.253   60.183  772.804   91.933  742.091   79.613  568.439   34.605  558.460   30.503 9.978577 46.13012 
1 1 1   11    4    5 o  703.964   28.345  1185.38   92.578  1274.64  141.417  1118.44  122.467  726.079   41.675  681.849   38.431 44.22974 56.69027 
1 1 1   11    4    6 o  805.613   35.484  1594.12  133.594  1580.56  188.920  1607.69  188.941  802.013   50.403  809.213   49.960 -7.199280 70.96750 
1 1 1   11    4    7 o  318.049   12.919  238.001   19.203  236.154   27.155  239.848   27.159  316.807   18.341  319.291   18.201 -2.484253 25.83872 
1 1 1   11    4    8 o  589.116   22.448  827.931   61.795  810.608   87.391  845.254   87.392  582.824   32.084  595.408   31.406 -12.58356 44.89677 
1 1 1   11    4    9 o  264.846   10.940  164.765   13.535  170.426   19.146  159.110   19.136  269.417   15.206  260.276   15.732 9.141144 21.87956 
1 1 1   11    4   10 o  350.870   17.892  291.860   28.717  293.207   37.067  289.837   45.420  352.367   22.509  349.373   27.817 2.993652 35.78299 
1 1 1   11    4   11 o  563.614   25.381  762.912   66.805  795.530   94.472  730.287   94.482  576.000   35.094  551.229   36.675 24.77069 50.76133 
1 1 1   11    4   12 o  312.456   14.647  230.273   21.388  227.418   30.222  233.136   30.272  310.501   20.827  314.412   20.601 -3.911255 29.29454 
1 1 1   11    4   13 o  182.213   11.236   78.029   9.5679   77.815   13.582   78.241   13.481  181.959   15.971  182.468   15.808 -0.5085907 22.47199 
1 1 1   11    4   14 o  402.603   21.911  387.231   41.220  395.480   58.267  378.967   58.321  406.995   30.633  398.211   31.338 8.784149 43.82277 
1 1 1   11    4   15 o  548.183   29.255  730.848   74.848  688.429  105.816  773.322  105.885  531.622   42.590  564.744   40.118 -33.12183 58.50957 
1 1 1   11    4   16 o  280.715   15.459  186.218   20.275  180.852   28.611  191.632   28.736  276.613   22.132  284.816   21.589 -8.202698 30.91737 
1 1 1   11    4   17 o  208.072   12.638  101.941   12.289  100.661   17.288  103.248   17.472  206.751   17.892  209.393   17.854 -2.642929 25.27616 
1 1 1   11    4   18 o  487.402   27.101  576.264   61.729  569.871   87.263  582.666   87.334  484.601   38.530  490.203   38.121 -5.601990 54.20146 
1 1 1   11    4   19 o  925.329   48.450  2248.09  205.437  2327.66  324.798  2195.02  265.233  928.625   74.839  922.034   61.551 6.590881 96.89955 
1 1 1   11    4   20 o  454.426   25.646  522.709   51.554  597.277   66.552  410.824   81.521  499.894   28.487  408.957   42.653 90.93637 51.29122 
1 1 1   11    4   21 o  562.178   29.722  774.680   78.081  787.546  110.382  761.795  110.465  567.089   41.649  557.268   42.415 9.821716 59.44474 
1 1 1   11    4   22 o  278.819   20.580  192.653   22.701  174.018   45.440  198.851   26.206  267.569   36.338  290.070   19.331 -22.50043 41.15952 
1 1 1   11    4   23 o  539.421   30.294  726.840   76.362  714.059  107.927  739.653  108.057  534.367   43.216  544.475   42.465 -10.10730 60.58810 
1 1 1   11    4   24 o  248.647   13.242  144.850   15.138  136.817   19.496  157.047   24.023  240.350   17.356  256.944   20.005 -16.59355 26.48474 
1 1 1   11    4   25 o  374.927   21.496  343.021   37.651  332.222   53.247  353.819   53.247  368.764   30.896  381.090   29.897 -12.32568 42.99261 
1 1 1   11    4   26 o  118.359   10.082   32.359   5.4766   29.600   6.9976   36.720   8.7979  112.058   13.362  124.660   15.101 -12.60255 20.16381 
1 1 1   11    4   27 o  134.302   11.264   45.076   6.6132   51.630   8.4241   34.550   10.676  148.092   12.172  120.512   18.956 27.57995 22.52702 
1 1 1   11    4   28 o  261.971   19.190  174.288   19.738  181.966   22.811  151.412   39.374  276.808   17.633  247.135   34.090 29.67307 38.38067 
1 1 1   11    4   29 o   54.977   13.571   6.2809   4.3187   8.1425   6.3393   4.6688   5.8994   59.612   19.633   50.342   18.742 9.269295 27.14260 
1 1 1   11    4   30 o  133.283   11.289   42.234   7.0179   39.821   10.022   44.556   9.8307  129.463   16.564  137.104   15.342 -7.640976 22.57743 
1 1 1   11    4   31 o  257.793   15.449  160.771   18.548  146.330   26.298  175.068   26.165  245.846   22.888  269.741   20.756 -23.89536 30.89784 
1 1 1   11    4   32 o  134.394   11.393   43.283   7.1006   49.045   9.9980   37.418   10.086  143.661   14.891  125.127   17.247 18.53344 22.78653 
1 1 1   11    4   33 o   95.302   12.371   22.303   5.3488   19.674   7.7866   24.651   7.3601   88.844   19.305  101.759   15.476 -12.91476 24.74259 
1 1 1   11    4   34 o  220.616   16.722  115.377   16.549  131.725   28.310  106.891   20.396  231.025   26.220  210.207   20.762 20.81824 33.44442 
1 1 1   11    4   35 f   58.372   14.458   7.2089   4.9767   4.5253   7.0541   9.8682   7.0222   52.427   20.265   64.316   20.626 -11.88950 28.91506 
1 1 1   11    4   36 o   87.171   16.472   18.763   6.4647   18.763   6.4647   0.0000   0.0000   87.171   16.472  ?   ?       ?      ? 
1 1 1   11    4   37 o  160.848   22.948   63.717   17.250   63.717   17.250   0.0000   0.0000  160.848   22.948  ?   ?       ?      ? 
1 1 1   11    4   38 o  120.513   15.844   39.956   7.7691   45.118   9.3412   28.373   13.993  137.292   14.558  103.734   28.147 33.55737 31.68886 
1 1 1   11    4   39 o   72.133   14.878   13.436   5.1281   14.576   6.0652   10.579   9.6038   76.125   17.424   68.142   24.120 7.982956 29.75577 
1 1 1   11    4   40 o   95.434   15.143   22.931   6.3525   22.321   7.8684   24.072   10.765   94.384   18.499   96.484   23.979 -2.099548 30.28538 
1 1 1   11    4   41 o   98.902   11.714   23.850   5.1599   16.811   6.9776   32.344   7.6651   81.566   18.703  116.239   14.110 -34.67234 23.42848 
1 1 1   11    4   42 o  138.452   13.003   45.380   7.3659   43.783   8.5043   50.176   14.738  135.183   13.461  141.721   22.251 -6.537735 26.00586 
1 1 1   11    4   43 o   61.958   14.523   9.5105   4.9496   11.504   5.9756   5.1529   8.8342   67.324   18.446   56.592   22.438 10.73197 29.04660 
1 1 1   11    4   44 o  225.840   14.387  126.494   15.184  126.017   21.419  126.976   21.529  225.422   20.331  226.258   20.360 -0.8365479 28.77314 
1 1 1   11    4   45 o  162.739   12.174   64.639   9.2552   66.410   13.045   62.843   13.133  165.109   16.906  160.370   17.523 4.739334 24.34857 
1 1 1   11    4   46 o   31.942   10.617  -7.3260   4.3371 -21.1676   8.0355  -1.6360   5.1520   28.782   14.388   35.103   15.616 -6.321264 21.23351 
1 1 1   11    4   47 o   53.149   13.790   5.2579   5.0652  -5.1046   9.1219   9.8775   6.0905   43.512   19.922   62.787   19.074 -19.27475 27.58071 
1 1 1   11    4   48 o   49.737   14.779   2.1676   5.4643   1.6995   9.9001   2.3728   6.5529   53.258   22.674   46.215   18.963 7.043217 29.55833 
1 1 1   11    4   49 o   68.101   16.508   11.090   5.8843   11.030   11.389   11.112   6.8726   69.982   26.044   66.220   20.291 3.762306 33.01542 
1 1 1   11    4   50 o  151.923   12.482   57.158   8.8151   65.214   12.744   49.766   12.207  162.602   16.770  141.244   18.492 21.35843 24.96356 
1 1 1   11    4   51 o   82.088   19.157   17.407   8.5996   24.301   13.238   12.374   11.312   92.955   28.093   71.222   26.052 21.73371 38.31344 
1 1 1   11    4   52 o   96.645   20.613   24.637   9.0263   24.637   9.0263   0.0000   0.0000   96.645   20.613  ?   ?       ?      ? 
1 1 1   11    4   53 o   73.094   18.213   13.985   7.7344   14.176   11.059   13.802   10.821   73.492   25.897   72.696   25.618 0.7965851 36.42688 
1 1 1   11    4   54 f   48.481   15.017  -0.3154   6.4194   2.3824   9.9671  -2.2278   8.3916   53.190   22.700   43.772   19.667 9.417953 30.03466 
1 1 1   11    4   55 o   83.317   16.216   19.348   6.5653   16.697   9.6041   21.673   8.9951   77.564   24.023   89.070   21.788 -11.50602 32.43205 
1 1 1   11    4   56 o   56.729   15.443   7.1412   5.8240   8.7002   7.8479   5.2301   8.6889   59.342   21.701   54.117   21.977 5.225128 30.88557 
1 1 1   11    4   57 f   35.926   11.730  -3.9339   4.6126  -2.9306   6.5545  -4.9182   6.4924   37.169   16.968   34.682   16.200 2.487083 23.45962 
1 1 1   11    4   58 o   32.301   10.929  -7.5747   4.6658  -8.9178   7.0202  -6.5120   6.2446   32.487   15.641   32.115   15.268 0.3713570 21.85770 
1 1 1   11    4   59 o   43.523   13.105   1.7866   4.7251  -0.0159   6.7342   3.5346   6.6317   40.807   18.017   46.238   19.036 -5.431141 26.21072 
1 1 1   11    4   60 o   49.289   13.001   4.9151   4.5348   9.7108   5.9486  -1.7384   7.0067   59.326   18.979   39.252   17.772 20.07408 26.00111 
1 1 1   11    4   61 o   84.814   13.258   20.438   5.1297   23.197   7.2595   17.687   7.2496   91.609   17.596   78.020   19.838 13.58860 26.51682 
1 1 1   11    4   62 o   44.826   13.473   3.1710   4.9361   2.5300   7.1243   3.7628   6.8453   44.092   19.011   45.560   19.097 -1.467659 26.94670 
1 1 1   11    4   63 o   59.534   14.224   9.8060   5.0701   4.0054   6.7214   17.464   7.7229   45.177   18.929   73.891   21.236 -28.71459 28.44781 
1 1 1   11    4   64 o   50.289   14.412   6.5619   5.2857   5.4219   7.3814   7.7616   7.5723   48.169   19.980   52.410   20.775 -4.240944 28.82410 
1 1 1   11    4   65 o   48.396   15.289   3.1711   6.3410   11.618   11.963  -0.1290   7.4778   57.216   24.653   39.576   18.089 17.64067 30.57769 
1 1 1   11    5    0 o  441.508   16.976  462.156   49.203  462.156   49.203  462.156   49.203  441.508   24.008  441.508   24.008 -0.000000 0.000000 
1 1 1   11    5    1 o  488.102   18.276  564.456   41.668  543.474   58.926  585.442   58.931  478.904   26.328  497.301   25.356 -18.39688 36.55228 
1 1 1   11    5    2 o  683.891   25.834  1122.66   82.570  1129.40  116.774  1115.93  116.769  685.997   36.423  681.785   36.647 4.212097 51.66864 
1 1 1   11    5    3 o  190.901   9.6242   85.493   8.5853   84.046   12.164   86.929   12.119  189.284   13.750  192.518   13.470 -3.233841 19.24847 
1 1 1   11    5    4 o  199.069   11.636   93.791   10.555   89.965   16.730   96.320   13.604  195.541   18.307  202.596   14.368 -7.055054 23.27166 
1 1 1   11    5    5 o  375.296   15.690  332.875   27.218  329.615   41.561  335.324   36.017  373.398   23.816  377.194   20.431 -3.796051 31.37920 
1 1 1   11    5    6 o  159.501   8.2302   60.159   6.0360   56.261   9.2390   63.062   7.9727  154.907   12.762  164.094   10.396 -9.187622 16.46033 
1 1 1   11    5    7 f  178.822   8.0754   74.922   6.7486   73.974   9.5125   75.882   9.5757  177.682   11.455  179.962   11.385 -2.280197 16.15088 
1 1 1   11    5    8 o  299.252   11.984  210.536   16.758  214.358   23.691  206.708   23.709  301.988   16.786  296.517   17.109 5.471313 23.96805 
1 1 1   11    5    9 o  381.276   16.781  343.742   29.902  346.020   42.307  341.468   42.270  382.551   23.664  380.001   23.801 2.550537 33.56298 
1 1 1   11    5   10 o  248.561   11.896  145.251   13.818  146.919   19.568  143.591   19.517  249.991   16.748  247.130   16.898 2.860779 23.79203 
1 1 1   11    5   11 o  252.903   14.394  150.900   16.995  159.372   24.107  142.529   23.962  260.021   19.837  245.785   20.861 14.23564 28.78703 
1 1 1   11    5   12 o  174.111   13.781   70.689   10.631   73.845   18.386   69.104   13.030  176.771   22.255  171.450   16.262 5.321594 27.56296 
1 1 1   11    5   13 o  298.781   20.329  209.634   26.906  222.000   46.651  203.470   32.935  304.443   32.788  293.119   24.042 11.32455 40.65787 
1 1 1   11    5   14 o  250.685   19.497  159.786   20.596  123.017   35.655  178.197   25.230  226.458   33.689  274.913   19.637 -48.45428 38.99494 
1 1 1   11    5   15 o  268.436   18.068  165.603   21.644  188.926   37.516  153.966   26.499  281.662   28.500  255.210   22.217 26.45157 36.13633 
1 1 1   11    5   16 o  185.014   17.287   89.438   12.852   64.597   22.276  101.830   15.734  161.936   30.555  208.091   16.179 -46.15495 34.57391 
1 1 1   11    5   17 o  685.576   47.101  1196.14  143.244  1319.41  248.155  1134.54  175.420  701.089   75.737  670.063   56.017 31.02557 94.20166 
1 1 1   11    5   18 o  193.746   12.377   93.198   10.574   70.247   16.655  108.696   13.686  172.367   20.675  215.125   13.613 -42.75781 24.75403 
1 1 1   11    5   19 o  348.065   16.096  287.465   26.150  303.543   36.961  271.350   37.003  357.963   22.093  338.167   23.413 19.79572 32.19158 
1 1 1   11    5   20 o  467.766   19.908  509.026   41.450  480.366   50.730  566.584   71.891  449.798   24.133  485.733   31.669 -35.93518 39.81616 
1 1 1   11    5   21 o  219.924   10.465  109.884   10.556   94.018   13.445  135.375   17.042  199.974   14.386  239.874   15.202 -39.90022 20.93010 
1 1 1   11    5   22 o  188.726   10.675   86.516   9.0735   72.029   14.137   96.665   11.832  174.630   17.322  202.822   12.483 -28.19203 21.35088 
1 1 1   11    5   23 f  319.138   16.628  243.737   24.783  232.523   34.925  255.112   35.174  311.593   23.983  326.684   23.038 -15.09079 33.25597 
1 1 1   11    5   24 o  110.922   9.5401   27.372   4.8047   21.366   6.0327   37.790   7.9455   95.211   13.558  126.633   13.425 -31.42254 19.08010 
1 1 1   11    5   25 o  125.784   9.5481   35.751   5.4923   29.621   6.9605   45.865   8.9408  112.108   13.285  139.461   13.718 -27.35310 19.09623 
1 1 1   11    5   26 o  147.670   10.170   50.941   6.8735   48.936   8.7902   54.096   11.027  144.103   13.052  151.237   15.601 -7.133759 20.34062 
1 1 1   11    5   27 o  206.796   16.309  106.641   13.345  110.605   15.431   94.875   26.582  216.268   15.267  197.324   28.824 18.94467 32.61813 
1 1 1   11    5   28 o  116.338   9.5963   30.776   5.1183   25.842   6.5212   38.691   8.2598  104.658   13.332  128.017   13.806 -23.35877 19.19251 
1 1 1   11    5   29 o  162.719   9.8397   59.991   7.3230   47.470   9.3591   79.758   11.760  141.700   14.133  183.738   13.695 -42.03816 19.67931 
1 1 1   11    5   30 o  222.032   13.810  118.296   14.263  132.136   20.285  104.759   20.060  235.193   18.455  208.871   20.550 26.32214 27.62022 
1 1 1   11    5   31 o  148.234   11.424   52.253   7.8799   59.164   11.392   45.912   10.911  157.737   15.453  138.731   16.829 19.00615 22.84790 
1 1 1   11    5   32 o   91.043   12.444   20.263   5.1437   28.068   7.5239   13.414   7.0480  108.670   14.815   73.416   19.999 35.25391 24.88835 
1 1 1   11    5   33 o  156.532   11.622   58.598   8.4780   63.399   11.969   53.763   12.011  163.124   15.700  149.940   17.140 13.18355 23.24352 
1 1 1   11    5   34 o  219.901   18.833  126.906   17.390  100.796   30.306  139.723   21.233  198.893   32.604  240.910   18.859 -42.01770 37.66544 
1 1 1   11    5   35 o  244.710   23.116  154.355   26.170  132.545   37.256  175.601   36.770  225.733   35.315  263.686   29.838 -37.95239 46.23199 
1 1 1   11    5   37 o   71.835   16.878   12.284   6.6021   11.097   8.9116   13.728   9.8293   68.713   23.290   74.957   24.435 -6.243568 33.75618 
1 1 1   11    5   38 o  209.943   17.040  109.873   15.601  109.361   18.974  110.942   27.409  211.703   19.177  208.183   28.171 3.519608 34.07936 
1 1 1   11    5   39 o  148.092   14.124   54.043   9.0464   54.570   10.955   52.913   16.040  150.592   15.566  145.592   23.573 4.999435 28.24878 
1 1 1   11    5   40 o   80.441   16.031   16.508   6.3824   19.960   8.9286   12.901   9.1269   88.338   21.768   72.544   23.541 15.79358 32.06242 
1 1 1   11    5   41 o  144.342   15.290   53.562   9.3284   56.458   11.524   48.057   15.888  152.877   16.129  135.806   25.979 17.07040 30.57904 
1 1 1   11    5   42 o  207.096   14.327   98.727   12.287   90.643   14.154  123.460   24.756  193.497   15.651  220.696   24.002 -27.19934 28.65369 
1 1 1   11    5   43 o  233.810   20.471  135.862   22.369  135.862   22.369   0.0000   0.0000  233.810   20.471  ?   ?       ?      ? 
1 1 1   11    5   44 o   37.555   11.878  -2.1457   4.2575  -2.0349   6.3358  -2.2370   5.7490   38.718   17.264   36.392   16.320 2.326134 23.75641 
1 1 1   11    5   45 o   49.575   13.337   3.1073   4.5902   8.4954   6.7538  -1.5180   6.2576   59.958   20.275   39.193   17.333 20.76508 26.67417 
1 1 1   11    5   46 o   45.462   12.845   2.5055   4.1573   0.7460   5.6086   4.6513   6.1935   40.743   17.193   50.182   19.090 -9.438610 25.69079 
1 1 1   11    5   47 o   74.151   14.796   14.233   5.3470   14.906   7.7403   13.619   7.3950   75.723   21.090   72.579   20.757 3.143753 29.59119 
1 1 1   11    5   48 o  144.563   18.245   60.009   10.528   43.667   19.128   67.110   12.609  123.430   32.655  165.695   16.283 -42.26528 36.48934 
1 1 1   11    5   49 o   55.553   14.364   6.6800   4.8410   5.9953   7.4566   7.1790   6.3648   55.156   20.955   55.951   19.653 -0.7943192 28.72880 
1 1 1   11    5   50 o   90.280   14.525   21.082   6.0587   28.211   9.0001   15.173   8.1933  104.741   19.089   75.819   21.897 28.92245 29.04990 
1 1 1   11    5   51 o   94.874   21.861   23.983   9.4939   23.983   9.4939   0.0000   0.0000   94.874   21.861  ?   ?       ?      ? 
1 1 1   11    5   53 o  116.466   15.724   30.933   7.8867   53.653   14.839   21.988   9.3107  142.962   22.209   89.971   22.264 52.99133 31.44722 
1 1 1   11    5   54 o  147.868   14.022   56.373   9.5491   45.273   13.200   68.560   13.831  131.369   21.500  164.367   18.005 -32.99832 28.04345 
1 1 1   11    5   55 o   39.733   13.254  -6.8526   5.9007  -7.1438   7.1474  -6.2293   10.457   34.787   16.479   44.679   20.765 -9.891315 26.50898 
1 1 1   11    5   56 o   48.784   14.784   2.1072   5.9501   3.1190   7.5790   0.4819   9.6063   48.487   20.190   49.080   21.601 -0.5932503 29.56805 
1 1 1   11    5   57 o   62.836   15.860   10.266   5.8358   10.443   7.5944   10.010   9.1194   62.791   21.499   62.880   23.324 -0.8871460E-01 31.72059 
1 1 1   11    5   58 o   62.168   15.667   10.342   5.7309   10.130   7.8612   10.583   8.3724   61.573   21.820   62.763   22.488 -1.189960 31.33422 
1 1 1   11    5   59 o   68.321   15.676   13.893   5.6257   14.566   6.8260   12.468   9.9329   71.307   19.786   65.336   24.321 5.971169 31.35281 
1 1 1   11    5   60 o   59.792   15.225   8.2030   5.2195   4.9632   6.3150   15.188   9.2725   48.440   19.045   71.144   23.758 -22.70352 30.44940 
1 1 1   11    5   61 f   44.686   13.825   1.1786   5.6743   4.7142   7.6099  -3.2486   8.5157   48.873   20.281   40.500   18.794 8.373661 27.65034 
1 1 1   11    5   62 o   54.207   14.689   7.4675   5.1164   4.7335   6.4536   12.093   8.3946   46.538   18.925   61.877   22.472 -15.33926 29.37885 
1 1 1   11    5   63 o   65.861   13.013   11.736   5.8515   26.075   7.9452  -5.2598   8.6501   93.783   18.782   37.940   18.017 55.84301 26.02688 
1 1 1   11    5   64 o   49.220   13.940   4.5611   5.6534  -5.0978   8.5725   11.995   7.5207   37.707   17.915   60.733   21.361 -23.02619 27.87927 
1 1 1   11    5   65 o   47.491   15.381   3.3539   7.6443   4.6131   9.6829   1.2709   12.454   47.718   21.305   47.264   22.192 0.4537849 30.76290 
1 1 1   11    6    0 o  195.999   8.7556   90.978   11.238   90.978   11.238   90.978   11.238  195.999   12.382  195.999   12.382 -0.000000 0.000000 
1 1 1   11    6    1 o  323.606   12.732  246.355   19.254  249.103   27.231  243.607   27.229  325.423   17.905  321.789   18.106 3.634003 25.46372 
1 1 1   11    6    2 o  193.552   8.6476   87.811   7.8222   87.224   11.050   88.401   11.074  192.902   12.257  194.202   12.202 -1.299179 17.29519 
1 1 1   11    6    3 o  167.555   8.4929   66.325   6.5563   69.331   8.6938   62.360   9.9834  172.041   10.813  163.070   13.100 8.970459 16.98587 
1 1 1   11    6    4 o  184.414   9.3157   79.768   8.0268   81.894   11.357   77.647   11.346  186.877   13.004  181.950   13.343 4.927216 18.63144 
1 1 1   11    6    5 o  289.136   12.829  196.980   17.145  194.742   26.180  198.661   22.687  287.545   19.481  290.728   16.697 -3.183014 25.65772 
1 1 1   11    6    6 o  218.291   9.3117  112.333   9.3759  107.943   14.314  115.632   12.408  214.466   14.281  222.116   11.953 -7.649536 18.62334 
1 1 1   11    6    7 o  277.926   13.590  182.791   16.584  184.512   20.300  179.338   28.758  280.283   15.497  275.570   22.330 4.712677 27.18075 
1 1 1   11    6    8 o  406.360   21.713  394.083   41.181  417.231   58.261  370.970   58.216  418.537   29.785  394.184   31.601 24.35236 43.42551 
1 1 1   11    6    9 o  410.771   20.326  395.526   38.453  368.394   49.642  436.224   60.799  393.871   26.968  427.671   30.419 -33.80035 40.65232 
1 1 1   11    6   10 o  545.836   38.509  753.553   91.441  711.023  158.347  774.832  112.005  527.334   64.251  564.338   42.467 -37.00458 77.01736 
1 1 1   11    6   11 o  521.024   33.783  649.958   78.375  728.304  135.747  610.783   95.991  540.459   53.743  501.589   40.948 38.87015 67.56562 
1 1 1   11    6   12 o  286.089   21.995  208.379   26.579  162.259   45.949  231.571   32.583  259.187   37.933  312.991   22.275 -53.80331 43.98976 
1 1 1   11    6   13 o  610.256   43.143  950.011  115.056  930.830  199.292  959.600  140.912  596.500   71.489  624.013   48.318 -27.51318 86.28600 
1 1 1   11    6   14 o  321.354   25.485  245.044   38.275   0.0000   0.0000  245.044   38.275  ?   ?   321.354   25.485      ?      ? 
1 1 1   11    6   15 o  283.481   15.714  190.395   20.771  176.240   29.437  204.430   29.313  272.835   23.086  294.128   21.324 -21.29230 31.42769 
1 1 1   11    6   16 o  203.191   11.693   96.939   10.895   98.402   17.209   95.961   14.075  204.330   18.021  202.053   14.906 2.277237 23.38684 
1 1 1   11    6   17 o   89.763   10.335   19.678   4.0724   17.457   6.4757   21.131   5.2377   84.617   16.966   94.910   11.808 -10.29334 20.67061 
1 1 1   11    6   18 f  226.957   12.527  124.105   12.858  109.348   20.231  134.105   16.654  215.100   20.125  238.815   14.922 -23.71533 25.05326 
1 1 1   11    6   19 o  261.642   14.121  162.588   16.842  157.685   26.738  165.812   21.685  258.023   22.173  265.261   17.492 -7.237946 28.24232 
1 1 1   11    6   20 o  569.821   31.692  804.202   84.393  796.045  119.362  812.357  119.337  566.755   45.064  572.887   44.572 -6.132568 63.38324 
1 1 1   11    6   21 o  265.731   17.157  159.424   20.457  201.690   35.479  138.374   25.038  290.245   26.155  241.217   22.210 49.02818 34.31301 
1 1 1   11    6   22 o  129.559   14.192   43.671   6.8755   34.921   13.812   46.553   7.9276  118.411   25.697  140.706   12.055 -22.29527 28.38396 
1 1 1   11    6   23 o  192.366   17.996   97.531   13.973   71.348   24.059  110.858   17.165  168.380   31.737  216.352   16.976 -47.97127 35.99175 
1 1 1   11    6   24 o  266.822   15.827  171.040   19.620  150.279   27.766  191.742   27.726  250.193   23.747  283.452   20.930 -33.25937 31.65399 
1 1 1   11    6   25 o  375.463   20.778  345.535   36.075  290.080   51.001  401.062   51.034  343.844   31.738  407.082   26.825 -63.23734 41.55515 
1 1 1   11    6   26 o  259.867   16.931  170.705   19.364  197.234   24.963  130.623   30.683  288.007   18.546  231.728   28.332 56.27866 33.86256 
1 1 1   11    6   27 o  289.339   15.592  201.487   20.584  204.489   26.531  196.948   32.627  292.891   19.382  285.787   24.428 7.103790 31.18337 
1 1 1   11    6   28 o  126.022   10.071   37.682   5.7379   38.105   7.2736   36.984   9.3366  127.152   12.240  124.892   15.996 2.260765 20.14175 
1 1 1   11    6   29 o  145.104   9.4122   47.813   6.2569   39.183   7.9797   61.588   10.081  128.775   13.259  161.434   13.362 -32.65930 18.82438 
1 1 1   11    6   30 o  151.713   9.7967   53.591   6.8125   50.068   8.7011   59.173   10.951  145.531   12.793  157.896   14.840 -12.36493 19.59342 
1 1 1   11    6   31 o   88.879   11.694   20.712   4.4342   24.234   5.5662   14.595   7.3356  101.297   11.758   76.462   20.219 24.83439 23.38895 
1 1 1   11    6   32 o  152.357   13.438   51.790   9.1353   70.068   16.139   43.174   11.081  170.427   20.263  134.287   17.657 36.14026 26.87649 
1 1 1   11    6   33 o  170.937   14.003   67.539   10.640   80.148   18.713   61.516   12.934  181.587   22.050  160.287   17.266 21.29912 28.00612 
1 1 1   11    6   34 o  198.923   15.432   95.446   13.543   93.563   16.564   99.243   23.522  197.293   17.964  200.553   25.096 -3.259430 30.86324 
1 1 1   11    6   35 o  163.206   13.904   65.842   9.0666   67.221   10.487   61.763   18.040  168.205   13.341  158.206   24.399 9.999146 27.80837 
1 1 1   11    6   36 o  138.277   14.628   48.377   8.4555   50.483   10.308   44.046   14.784  145.262   15.183  131.291   25.008 13.97112 29.25597 
1 1 1   11    6   37 o  145.938   14.079   49.574   8.9457   45.579   10.672   59.015   16.406  137.492   16.608  154.384   22.738 -16.89212 28.15753 
1 1 1   11    6   38 o  126.374   11.583   38.661   6.8194   40.214   9.4092   36.943   9.8975  129.249   15.577  123.499   17.148 5.749481 23.16689 
1 1 1   11    6   39 f  109.187   11.677   29.167   5.7228   23.000   7.9165   35.917   8.2824   95.894   18.333  122.480   14.469 -26.58658 23.35479 
1 1 1   11    6   40 o   41.830   11.939   2.0111   3.6327   3.4334   4.6465  -0.2252   5.8263   43.745   16.561   39.915   17.201 3.829887 23.87762 
1 1 1   11    6   41 o  123.095   13.342   34.941   7.4017   46.121   12.701   29.191   9.1082  136.799   19.866  109.390   17.816 27.40973 26.68481 
1 1 1   11    6   42 o   71.861   18.727   13.170   6.3528   13.170   6.3528   0.0000   0.0000   71.861   18.727  ?   ?       ?      ? 
1 1 1   11    6   43 o   91.838   17.052   22.145   7.4131   23.334   10.653   21.029   10.323   94.200   24.099   89.476   24.132 4.723656 34.10456 
1 1 1   11    6   44 f  121.335   16.715   43.338   8.5851   53.749   10.593   23.413   14.655  149.124   15.200   93.546   29.775 55.57832 33.43050 
1 1 1   11    6   45 o  141.540   13.915   47.620   8.7050   44.048   10.548   55.249   15.415  134.564   16.772  148.517   22.209 -13.95227 27.83044 
1 1 1   11    6   46 o  190.544   17.651   98.646   12.572  103.830   14.544   83.319   25.007  207.188   15.020  173.899   31.947 33.28859 35.30210 
1 1 1   11    6   47 f  164.345   17.570   77.396   10.603   84.288   12.309   57.572   20.876  186.571   14.117  142.120   32.179 44.45082 35.13929 
1 1 1   11    6   48 o  114.280   16.938   36.821   8.3724   42.056   10.231   26.207   14.567  131.065   16.703   97.494   29.472 33.57081 33.87579 
1 1 1   11    6   49 o  182.959   27.328   89.483   23.367   0.0000   0.0000   89.483   23.367  ?   ?   182.959   27.328      ?      ? 
1 1 1   11    6   50 o  129.897   15.563   43.153   9.0482   40.272   11.559   47.710   14.539  126.281   19.586  133.514   24.192 -7.232422 31.12682 
1 1 1   11    6   51 o   82.507   18.400   17.680   6.9141   17.680   6.9141   0.0000   0.0000   82.507   18.400  ?   ?       ?      ? 
1 1 1   11    6   52 o  170.665   30.927   84.631   23.759   84.631   23.759   0.0000   0.0000  170.665   30.927  ?   ?       ?      ? 
1 1 1   11    6   53 o   55.688   16.196   4.5550   6.6932   5.6907   10.412   3.7551   8.7379   58.635   23.963   52.741   21.797 5.893303 32.39297 
1 1 1   11    6   54 o  147.492   15.422   47.741   9.2665   17.124   11.107  117.860   16.809   78.339   25.996  216.646   16.601 -138.3062 30.84430 
1 1 1   11    6   55 o   68.368   16.021   9.3319   7.4204  -5.2191   10.526   23.706   10.462   45.535   21.047   91.201   24.160 -45.66622 32.04244 
1 1 1   11    6   56 o  102.999   17.254   32.893   8.3154   38.435   10.221   22.044   14.300  121.753   17.963   84.246   29.465 37.50700 34.50892 
1 1 1   11    6   57 o  112.332   16.094   36.776   7.3411   38.835   8.6113   31.301   14.044  124.331   14.820  100.333   28.573 23.99836 32.18790 
1 1 1   11    6   58 o   68.684   15.171   14.670   5.9342   18.445   6.8662   3.5266   11.797   82.043   18.365   55.325   24.153 26.71736 30.34250 
1 1 1   11    6   59 o   78.902   14.939   14.769   6.4898   3.1289   8.1649   34.739   10.695   48.297   20.577  109.508   21.664 -61.21114 29.87877 
1 1 1   11    6   60 o   68.858   16.420   9.5101   7.1535   27.720   11.712  -1.3263   9.0345   93.259   25.932   44.457   20.150 48.80293 32.83976 
1 1 1   11    6   61 o   52.557   15.186   6.5638   5.8167   5.7124   7.5183   7.8333   9.1805   50.025   20.394   55.089   22.506 -5.063107 30.37160 
1 1 1   11    6   62 o   49.189   13.688   5.9802   4.9205   8.9514   6.0656   0.2616   8.4150   55.203   19.197   43.176   19.519 12.02723 27.37687 
1 1 1   11    6   63 o   50.419   14.538   6.0651   5.3054   3.8406   6.7804   9.5773   8.5198   44.805   18.905   56.032   22.092 -11.22748 29.07665 
1 1 1   11    6   64 o   43.264   13.753   1.4618   5.8181   2.2476   8.2245   0.6748   8.2316   44.188   19.688   42.339   19.207 1.848557 27.50547 
1 1 1   11    6   65 o   68.433   18.245   18.293   8.6272   7.4377   11.476   32.397   13.082   51.760   23.145   85.106   28.211 -33.34541 36.49089 
1 1 1   11    7    0 o  216.875   10.804  111.805   15.311  111.805   15.311  111.805   15.311  216.875   15.280  216.875   15.280 -0.000000 0.000000 
1 1 1   11    7    1 o  567.214   24.766  772.048   65.579  812.840   92.753  731.273   92.734  582.597   34.066  551.830   35.958 30.76660 49.53192 
1 1 1   11    7    2 o  299.129   14.149  211.561   19.682  187.517   27.835  235.605   27.835  281.930   21.125  316.328   18.828 -34.39825 28.29814 
1 1 1   11    7    3 o  567.078   25.942  774.205   68.618  720.133   97.045  828.266   97.036  546.676   37.984  587.479   35.342 -40.80261 51.88312 
1 1 1   11    7    4 o  796.152   42.247  1598.80  156.742  1469.10  221.682  1728.47  221.653  761.295   62.307  831.009   57.072 -69.71466 84.49470 
1 1 1   11    7    5 f  463.597   22.658  515.177   47.997  505.986   75.893  521.303   61.962  459.012   35.378  468.182   28.318 -9.170563 45.31602 
1 1 1   11    7    6 f  398.766   20.668  385.384   37.307  348.721   59.021  409.781   48.146  381.630   33.092  415.901   24.770 -34.27039 41.33563 
1 1 1   11    7    7 o  528.004   28.071  676.696   68.942  750.000   97.518  603.450   97.479  557.695   37.415  498.313   41.857 59.38141 56.14160 
1 1 1   11    7    8 o  589.492   32.518  851.746   89.577  837.956  126.681  865.535  126.681  584.487   46.376  594.498   45.595 -10.01050 65.03568 
1 1 1   11    7    9 o  502.903   27.475  611.818   64.570  603.920   91.313  619.716   91.320  499.543   39.112  506.263   38.597 -6.719360 54.94972 
1 1 1   11    7   10 o  577.212   41.577  873.423  102.425  746.890  177.384  936.713  125.453  534.736   70.979  619.687   43.318 -84.95093 83.15324 
1 1 1   11    7   11 o  484.967   29.960  558.023   64.669  621.380  112.038  526.369   79.193  502.457   47.712  467.478   36.248 34.97916 59.91913 
1 1 1   11    7   12 o  554.604   39.398  782.023   95.029  739.063  164.581  803.509  116.392  535.528   65.759  573.680   43.412 -38.15295 78.79602 
1 1 1   11    7   13 o  385.575   21.327  355.197   38.426  348.685   54.359  361.702   54.327  381.961   30.451  389.189   29.868 -7.228607 42.65456 
1 1 1   11    7   14 o  408.639   19.776  395.915   37.093  409.869   58.641  386.608   47.891  413.895   30.316  403.382   25.403 10.51236 39.55239 
1 1 1   11    7   15 f  396.459   19.767  371.458   36.028  395.450   56.987  355.484   46.500  406.384   30.005  386.534   25.741 19.84940 39.53365 
1 1 1   11    7   16 o  141.856   9.2546   45.777   6.0371   56.610   9.6186   38.735   7.7549  155.264   13.256  128.448   12.918 26.81560 18.50922 
1 1 1   11    7   17 o  200.433   11.185   94.158   10.280   96.418   16.274   92.658   13.260  202.299   17.213  198.567   14.289 3.732208 22.37061 
1 1 1   11    7   18 o  182.555   11.034   80.140   9.1104   70.610   14.337   86.594   11.799  173.071   17.725  192.039   13.146 -18.96812 22.06818 
1 1 1   11    7   19 o  284.549   15.779  200.952   19.889  157.743   31.475  229.673   25.662  257.089   26.196  312.009   17.598 -54.92038 31.55873 
1 1 1   11    7   20 o  230.871   14.042  126.429   15.145  130.773   21.431  122.095   21.405  234.891   19.523  226.851   20.189 8.039291 28.08453 
1 1 1   11    7   21 o  225.349   17.462  123.911   17.192  115.739   29.618  128.062   21.112  218.529   29.001  232.168   19.457 -13.63823 34.92326 
1 1 1   11    7   22 o  189.123   15.449   91.205   11.391   74.665   22.641   96.810   13.180  175.628   27.584  202.619   13.918 -26.99074 30.89702 
1 1 1   11    7   23 o  284.340   11.774  191.752   15.603  175.080   22.015  208.579   22.117  271.744   17.335  296.935   15.937 -25.19156 23.54777 
1 1 1   11    7   24 o  354.986   15.714  295.891   25.689  269.783   33.098  335.452   40.742  336.098   21.071  373.873   23.317 -37.77478 31.42750 
1 1 1   11    7   25 f  320.785   18.461  253.427   26.765  270.379   34.538  227.943   42.348  336.032   21.993  305.538   29.657 30.49435 36.92157 
1 1 1   11    7   26 o  214.588   13.571  111.059   13.322  137.326   18.896   85.101   18.784  240.613   16.804  188.562   21.315 52.05106 27.14218 
1 1 1   11    7   27 o  360.872   18.827  318.721   30.947  326.909   39.916  306.386   48.996  368.419   23.183  353.326   29.672 15.09314 37.65438 
1 1 1   11    7   28 o  231.655   14.186  128.643   15.339  136.193   21.729  121.144   21.656  238.596   19.487  224.715   20.620 13.88075 28.37134 
1 1 1   11    7   29 o  158.018   10.254   58.975   7.3958   58.134   9.4626   60.296   11.856  156.813   12.912  159.222   15.933 -2.409668 20.50792 
1 1 1   11    7   30 o  178.089   11.023   73.411   9.0218   64.546   11.544   87.321   14.460  164.782   14.990  191.397   16.166 -26.61470 22.04638 
1 1 1   11    7   31 o  183.722   12.645   81.039   10.824   87.666   15.245   74.302   15.371  191.523   17.031  175.921   18.695 15.60237 25.29000 
1 1 1   11    7   32 o   75.835   14.977   11.862   5.2271   21.895   9.8691   7.9500   6.1624   93.059   22.858   58.612   19.359 34.44685 29.95435 
1 1 1   11    7   33 o  191.529   19.990   93.411   17.256   79.972   24.798  106.028   24.028  175.555   31.376  207.503   24.777 -31.94791 39.97997 
1 1 1   11    7   34 o   81.600   14.371   17.007   5.3875   18.169   6.8596   15.136   8.7038   85.455   17.756   77.744   22.603 7.710785 28.74274 
1 1 1   11    7   35 o  162.830   12.894   62.987   9.8121   62.987   9.8121   0.0000   0.0000  162.830   12.894  ?   ?       ?      ? 
1 1 1   11    7   36 o  225.633   19.745  135.203   18.863  146.639   23.081  112.204   32.733  245.011   20.157  206.255   33.957 38.75653 39.48940 
1 1 1   11    7   37 o  113.610   17.232   33.460   8.8801   36.261   12.500   30.607   12.618  118.928   23.323  108.291   25.375 10.63731 34.46487 
1 1 1   11    7   38 o   96.680   16.752   23.290   7.9489   12.020   10.694   37.205   11.883   72.146   25.462  121.214   21.777 -49.06772 33.50391 
1 1 1   11    7   39 o  243.829   22.505  155.575   25.557  170.441   36.393  141.112   35.898  256.499   30.359  231.158   33.229 25.34135 45.00940 
1 1 1   11    7   40 o   81.928   17.887   16.925   7.9777   9.1860   11.562   23.959   11.022   68.122   26.042   95.733   24.526 -27.61073 35.77306 
1 1 1   11    7   41 o   86.247   13.625   15.970   4.7988   12.655   5.4933   26.649   9.8595   70.763   16.852  101.731   21.415 -30.96757 27.25064 
1 1 1   11    7   42 o  205.810   19.160  109.604   18.349   96.871   25.297  123.742   26.657  192.435   28.128  219.185   26.022 -26.75049 38.31915 
1 1 1   11    7   43 o  156.553   14.309   58.710   9.7223   55.408   11.626   66.389   17.730  150.986   16.476  162.121   23.400 -11.13466 28.61871 
1 1 1   11    7   44 o  104.203   15.450   29.931   6.7268   33.122   7.9789   22.087   12.508  117.231   14.563   91.175   27.252 26.05557 30.89951 
1 1 1   11    7   45 o   64.614   17.075   8.6361   7.0744   11.558   9.3150   4.6539   10.875   69.350   23.808   59.878   24.482 9.472408 34.14949 
1 1 1   11    7   46 f  217.343   17.640  116.700   17.118  103.865   20.888  142.947   29.872  202.328   22.090  232.359   27.508 -30.03113 35.27993 
1 1 1   11    7   47 o   81.135   15.719   18.946   6.4559   23.639   7.7012   7.8523   11.841   96.689   17.695   65.582   25.985 31.10742 31.43741 
1 1 1   11    7   48 o   37.324   12.603 -10.8093   6.2148  -7.2535   8.2337 -15.5174   9.4745   38.672   18.121   35.976   17.520 2.696339 25.20603 
1 1 1   11    7   49 o   91.888   19.567   23.561   9.1236   21.381   13.564   25.363   12.330   88.007   28.704   95.769   26.599 -7.761749 39.13377 
1 1 1   11    7   50 f  105.596   29.430   32.068   15.066   32.068   15.066   0.0000   0.0000  105.596   29.430  ?   ?       ?      ? 
1 1 1   11    7   51 o   53.307   20.839   5.2806   7.5248   5.2806   7.5248   0.0000   0.0000   53.307   20.839  ?   ?       ?      ? 
1 1 1   11    7   52 o   44.560   14.589  -6.6880   7.3541 -15.7464   12.121  -1.4105   9.2516   42.087   20.335   47.032   20.924 -4.945019 29.17778 
1 1 1   11    7   53 o  121.059   16.973   38.907   8.9532   36.635   10.968   43.445   15.499  119.274   19.676  122.843   27.663 -3.568832 33.94694 
1 1 1   11    7   54 o   81.654   15.591   19.236   5.8324   20.885   6.7764   14.525   11.456   89.910   16.743   73.399   26.305 16.51016 31.18111 
1 1 1   11    7   55 o   44.547   14.150  -3.8309   5.3870  -7.0079   6.2455   5.4007   10.646   31.758   15.146   57.335   23.907 -25.57711 28.30074 
1 1 1   11    7   56 o   78.636   16.806   18.809   7.1607   23.302   8.7136   9.4652   12.567   92.081   20.746   65.191   26.446 26.89032 33.61222 
1 1 1   11    7   57 o   76.054   15.129   17.892   5.9254   21.686   7.0311   8.5927   11.007   90.419   17.269   61.689   24.847 28.72961 30.25827 
1 1 1   11    7   58 o   52.756   15.644   4.7846   6.1415   3.8983   7.4508   6.6627   10.847   48.317   20.061   57.195   24.010 -8.877319 31.28738 
1 1 1   11    7   59 o   62.175   15.548   10.519   5.3282   10.140   6.3358   11.435   9.8471   60.430   19.614   63.919   24.130 -3.489452 31.09587 
1 1 1   11    7   60 o   84.185   16.434   21.556   6.0865   21.059   6.9509   23.189   12.602   86.984   17.701   81.387   27.695 5.596809 32.86853 
1 1 1   11    7   61 o   77.924   16.962   20.045   6.6319   19.303   8.2708   21.381   11.099   78.286   21.800   77.563   25.993 0.7233429 33.92425 
1 1 1   11    7   62 o   63.976   13.294   13.305   5.0499   19.125   6.3422   3.2225   8.3475   81.543   17.184   46.409   20.288 35.13352 26.58731 
1 1 1   11    7   63 o   59.264   16.269   11.348   6.5298   8.7153   9.2312   13.984   9.2378   54.788   22.497   63.741   23.508 -8.953640 32.53826 
1 1 1   11    7   64 f   38.018   12.589  -2.5823   5.6453  -6.1072   8.8916  -0.2018   7.3070   36.871   17.714   39.164   17.893 -2.292999 25.17886 
1 1 1   11    8    0 o  512.980   23.601  630.419   79.242  630.419   79.242  630.419   79.242  512.980   33.377  512.980   33.377 -0.000000 0.000000 
1 1 1   11    8    1 o  358.851   15.804  304.756   26.452  282.904   37.407  326.612   37.411  345.820   23.145  371.882   21.525 -26.06171 31.60747 
1 1 1   11    8    2 o  326.989   14.374  252.724   21.895  276.253   30.994  229.285   30.935  342.353   19.372  311.625   21.241 30.72833 28.74776 
1 1 1   11    8    3 o  925.234   47.183  2164.49  201.192  2467.07  318.122  1962.79  259.732  973.877   69.895  876.592   63.399 97.28479 94.36528 
1 1 1   11    8    4 o  385.876   27.870  363.810   47.017  350.504   81.512  370.444   57.557  378.049   46.135  393.702   31.282 -15.65308 55.74016 
1 1 1   11    8    5 o  212.795   17.280  108.707   16.021  103.232   27.927  111.393   19.560  208.193   28.702  217.397   19.252 -9.204056 34.56085 
1 1 1   11    8    6 o  431.954   23.124  448.030   46.479  495.397   65.774  400.788   65.688  455.380   30.905  408.529   34.405 46.85135 46.24746 
1 1 1   11    8    7 o  300.243   19.520  206.678   26.195  189.679   32.073  240.737   45.399  282.969   24.252  317.517   30.594 -34.54779 39.04062 
1 1 1   11    8    8 o  247.578   17.422  142.350   19.180  136.155   23.500  154.710   33.193  240.155   20.938  255.002   27.853 -14.84651 34.84459 
1 1 1   11    8    9 o  570.558   41.047  839.950  101.131  877.998  123.866  763.878  175.147  599.244   44.229  541.873   69.161 57.37134 82.09438 
1 1 1   11    8   10 o  215.006   18.110  110.157   18.030  128.547   25.714   92.372   25.287  232.979   23.616  197.033   27.461 35.94563 36.21902 
1 1 1   11    8   11 o  319.006   22.827  252.676   31.413  269.401   38.542  219.582   54.218  337.022   24.470  300.991   38.543 36.03091 45.65448 
1 1 1   11    8   12 o  280.581   15.793  186.440   20.698  193.880   29.299  179.027   29.243  286.241   21.902  274.921   22.760 11.31961 31.58609 
1 1 1   11    8   13 o  660.329   53.162  1220.87  148.146  1031.20  256.576  1315.73  181.448  598.505   91.729  722.153   53.763 -123.6481 106.3230 
1 1 1   11    8   14 o  355.108   19.523  301.000   32.398  297.613   45.831  304.384   45.804  353.066   27.775  357.151   27.442 -4.084412 39.04504 
1 1 1   11    8   15 o  543.113   28.745  721.084   72.962  717.071  103.176  725.098  103.192  541.534   40.767  544.692   40.537 -3.158569 57.49095 
1 1 1   11    8   16 o  248.790   14.277  146.415   16.571  136.140   23.396  156.758   23.474  239.928   20.865  257.652   19.494 -17.72351 28.55489 
1 1 1   11    8   17 o  331.683   19.284  262.755   29.890  258.360   42.242  267.163   42.300  328.849   27.486  334.517   27.057 -5.668457 38.56849 
1 1 1   11    8   18 o  167.608   11.031   66.206   8.6388   66.723   12.129   65.674   12.307  168.287   15.422  166.928   15.776 1.359650 22.06117 
1 1 1   11    8   19 o  289.286   21.156  209.611   26.438  223.256   32.490  182.867   45.484  305.870   22.729  272.703   35.688 33.16687 42.31099 
1 1 1   11    8   20 o  194.415   15.562   91.023   13.207   92.424   16.119   88.159   23.038  197.497   17.464  191.333   25.764 6.163086 31.12495 
1 1 1   11    8   21 o  343.538   28.792  297.644   46.224  300.055   65.289  295.220   65.452  345.078   40.484  341.998   40.950 3.079193 57.58350 
1 1 1   11    8   22 o  547.179   50.818  876.812  129.812  838.865  183.536  914.797  183.629  532.368   73.768  561.991   69.915 -29.62238 101.6354 
1 1 1   11    8   23 o  467.727   32.196  547.779   66.994  511.921   82.018  619.666  116.128  451.336   38.883  484.118   51.327 -32.78207 64.39227 
1 1 1   11    8   24 o  419.477   22.222  391.385   39.030  346.022   44.999  529.146   78.417  378.561   25.435  460.393   36.445 -81.83151 44.44299 
1 1 1   11    8   25 o  266.172   19.385  180.706   20.062  188.745   23.099  156.022   40.476  281.882   17.534  250.462   34.579 31.41988 38.77011 
1 1 1   11    8   26 o  183.034   14.428   77.036   11.733   70.704   14.266   90.266   20.623  172.398   17.707  193.670   22.785 -21.27194 28.85588 
1 1 1   11    8   27 o  203.863   16.099   99.553   14.424   98.113   17.587  102.512   25.207  202.711   18.564  205.014   26.308 -2.303299 32.19879 
1 1 1   11    8   28 o  222.252   15.353  117.803   13.666  116.436   15.686  122.107   27.840  221.439   15.157  223.064   26.705 -1.625412 30.70628 
1 1 1   11    8   29 o   62.152   13.296   8.2876   3.3886   7.7817   3.7084   10.847   8.3410   56.196   14.134   68.108   22.524 -11.91151 26.59137 
1 1 1   11    8   30 o   74.739   14.307   11.194   4.3054   9.1609   4.7879   19.782   9.8419   60.941   16.435   88.536   23.423 -27.59531 28.61360 
1 1 1   11    8   31 o  152.135   17.558   62.242   10.686   69.231   12.879   46.801   19.143  170.325   16.179  133.944   31.167 36.38173 35.11584 
1 1 1   11    8   32 o  119.894   15.399   34.284   8.6287   34.284   8.6287   0.0000   0.0000  119.894   15.399  ?   ?       ?      ? 
1 1 1   11    8   33 o  125.989   16.182   37.984   9.5278   37.984   9.5278   0.0000   0.0000  125.989   16.182  ?   ?       ?      ? 
1 1 1   11    8   34 o  229.773   20.391  128.429   21.897  128.429   21.897   0.0000   0.0000  229.773   20.391  ?   ?       ?      ? 
1 1 1   11    8   35 o  215.829   14.983  107.288   13.263  100.258   15.237  129.277   26.948  204.310   15.957  227.348   25.363 -23.03839 29.96509 
1 1 1   11    8   36 o  101.804   14.032   21.754   6.4280   10.487   7.7847   45.896   11.395   66.053   21.756  137.555   17.726 -71.50144 28.06315 
1 1 1   11    8   37 o  181.896   13.764   74.645   11.072   62.816   13.293  101.453   20.010  160.900   17.677  202.893   21.103 -41.99355 27.52859 
1 1 1   11    8   38 o  192.684   20.579   97.685   17.416   70.091   24.540  125.686   24.721  160.608   33.766  224.760   23.534 -64.15256 41.15789 
1 1 1   11    8   39 o  283.942   24.454  224.836   29.348  241.375   35.923  191.642   50.893  309.393   24.844  258.490   42.128 50.90314 48.90788 
1 1 1   11    8   40 f  148.713   14.255   51.027   9.4426   43.287   11.437   67.604   16.737  132.882   18.415  164.543   21.765 -31.66023 28.51052 
1 1 1   11    8   41 o  109.629   13.854   27.011   5.9093   24.336   6.6697   36.778   12.744  100.518   14.198  118.739   23.794 -18.22155 27.70778 
1 1 1   11    8   42 o  227.594   18.106  130.802   18.268  126.527   22.440  139.203   31.456  225.249   21.317  229.939   29.272 -4.689972 36.21128 
1 1 1   11    8   43 o  166.023   20.280   74.248   14.971   54.406   21.241   93.837   21.105  139.372   33.102  192.676   23.438 -53.30400 40.55969 
1 1 1   11    8   44 o  128.449   17.002   46.065   9.0487   52.452   11.033   32.939   15.816  147.104   16.048  109.794   29.980 37.30998 34.00460 
1 1 1   11    8   45 o  159.094   18.269   66.274   13.068   53.199   18.143   80.367   18.837  139.988   28.696  178.199   22.619 -38.21118 36.53863 
1 1 1   11    8   46 o  167.028   19.786   76.002   14.422   46.889   19.868  108.428   20.968  127.266   33.094  206.790   21.696 -79.52399 39.57165 
1 1 1   11    8   47 o  180.423   22.345   92.323   17.767  118.926   24.718   63.892   25.554  214.655   24.640  146.191   37.285 68.46436 44.69077 
1 1 1   11    8   48 o   97.527   28.059   26.503   13.477   0.0000   0.0000   26.503   13.477  ?   ?    97.527   28.059      ?      ? 
1 1 1   11    8   49 o  260.049   39.823  211.129   48.398  211.129   48.398   0.0000   0.0000  260.049   39.823  ?   ?       ?      ? 
1 1 1   11    8   50 o   97.722   19.501   24.883   8.5940   24.883   8.5940   0.0000   0.0000   97.722   19.501  ?   ?       ?      ? 
1 1 1   11    8   51 o  137.977   19.452   48.539   12.543   48.539   12.543   0.0000   0.0000  137.977   19.452  ?   ?       ?      ? 
1 1 1   11    8   52 o   76.013   18.919   13.731   8.8398   24.518   13.316   5.2325   11.820   91.806   28.263   60.220   25.157 31.58585 37.83716 
1 1 1   11    8   53 o   89.303   18.579   22.124   8.1314   27.338   13.065   18.828   10.389   96.737   27.563   81.870   24.920 14.86612 37.15800 
1 1 1   11    8   54 o  130.704   16.483   46.734   9.5976   45.904   12.321   48.015   15.305  132.352   19.920  129.057   26.268 3.294296 32.96681 
1 1 1   11    8   55 o   94.730   15.742   25.827   6.5202   27.210   7.7141   22.367   12.201  103.532   15.943   85.928   27.149 17.60370 31.48388 
1 1 1   11    8   56 o   63.515   14.145   7.0559   6.1193  -6.5904   8.5083   21.679   8.8076   38.953   18.306   88.077   21.569 -49.12342 28.29040 
1 1 1   11    8   57 f   53.386   15.646   4.8473   6.1855   3.5191   7.7576   7.1657   10.249   48.748   20.374   58.024   23.751 -9.275463 31.29190 
1 1 1   11    8   58 o   43.602   13.486  -1.0960   5.8217   5.4876   7.3175 -12.4494   9.6093   50.730   20.320   36.475   17.737 14.25430 26.97189 
1 1 1   11    8   59 o   58.994   15.081   8.7166   6.1323   15.118   7.8898  -1.0525   9.7464   71.704   21.693   46.283   20.957 25.42125 30.16246 
1 1 1   11    8   60 o   46.645   14.912  -0.7264   7.1397  -6.5463   9.9945   5.3387   10.203   40.586   19.301   52.705   22.738 -12.11897 29.82491 
1 1 1   11    8   61 o   80.645   15.870   21.810   6.1052   22.967   7.2309   18.939   11.394   89.278   17.953   72.011   26.176 17.26762 31.74045 
1 1 1   11    8   62 o   59.733   15.626   11.300   6.6469   17.482   8.4233   1.0974   10.821   72.179   22.521   47.286   21.668 24.89268 31.25229 
1 1 1   11    8   63 o   85.655   17.373   23.472   7.1278   16.335   8.6593   38.471   12.552   68.479   22.959  102.831   26.080 -34.35265 34.74594 
1 1 1   11    8   64 o   62.062   25.787   16.374   12.325   16.374   12.325   0.0000   0.0000   62.062   25.787  ?   ?       ?      ? 
1 1 1   11    9    0 o  195.985   12.197   92.126   15.518   92.126   15.518   92.126   15.518  195.985   17.249  195.985   17.249 -0.000000 0.000000 
1 1 1   11    9    1 o  339.330   29.283  281.987   45.856  233.102   64.954  330.560   64.747  308.581   45.040  370.078   37.436 -61.49725 58.56623 
1 1 1   11    9    2 o  300.463   21.083  218.875   27.672  225.888   33.951  204.995   47.764  308.913   23.516  292.012   34.999 16.90054 42.16604 
1 1 1   11    9    3 o  181.480   14.597   82.483   11.328   91.868   14.005   64.721   19.267  197.743   15.154  165.216   24.953 32.52777 29.19410 
1 1 1   11    9    4 o  213.908   18.512  108.713   18.497  106.033   26.343  111.319   25.978  211.241   26.683  216.576   25.666 -5.335602 37.02336 
1 1 1   11    9    5 o  283.576   25.519  195.555   33.326  158.824   47.248  231.919   47.013  255.977   39.495  311.174   32.327 -55.19658 51.03807 
1 1 1   11    9    6 o  374.827   29.323  335.157   51.367  335.157   51.367   0.0000   0.0000  374.827   29.323  ?   ?       ?      ? 
1 1 1   11    9    7 o  424.587   31.991  431.929   63.481  431.929   63.481   0.0000   0.0000  424.587   31.991  ?   ?       ?      ? 
1 1 1   11    9    8 o  394.217   25.023  368.955   46.102  368.955   46.102   0.0000   0.0000  394.217   25.023  ?   ?       ?      ? 
1 1 1   11    9    9 o  132.828   13.041   42.815   6.5003   43.331   7.3956   41.063   13.630  135.929   11.642  129.726   23.339 6.203140 26.08161 
1 1 1   11    9   10 o  433.622   28.861  451.847   55.433  435.907   67.839  483.874   96.160  425.155   34.142  442.089   46.542 -16.93436 57.72184 
1 1 1   11    9   11 o  278.389   18.220  175.343   22.694  155.201   27.710  216.372   39.549  255.798   23.179  300.980   28.116 -45.18204 36.43916 
1 1 1   11    9   12 o  291.203   22.863  215.885   28.183  237.356   34.483  172.685   48.912  316.294   23.328  266.112   39.329 50.18277 45.72668 
1 1 1   11    9   13 o  318.341   22.656  245.896   31.512  250.564   38.542  236.484   54.727  324.573   25.408  312.110   37.519 12.46332 45.31274 
1 1 1   11    9   14 o  405.004   35.564  453.136   56.751  522.883   69.495  313.508   98.327  466.469   31.878  343.539   63.585 122.9297 71.12801 
1 1 1   11    9   15 o  313.120   23.891  246.985   32.000  265.681   39.152  209.364   55.539  334.060   25.078  292.181   40.673 41.87952 47.78239 
1 1 1   11    9   16 o  316.155   23.324  248.846   31.850  261.403   38.960  223.541   55.305  330.881   25.194  301.429   39.259 29.45193 46.64784 
1 1 1   11    9   17 o  170.429   14.440   67.868   10.799   65.759   13.088   72.367   19.114  166.807   16.788  174.051   23.498 -7.243912 28.87949 
1 1 1   11    9   18 o  364.798   24.811  323.819   39.982  314.695   48.893  342.237   69.463  360.173   29.046  369.423   40.233 -9.249390 49.62256 
1 1 1   11    9   19 o  320.054   24.552  261.808   33.710  278.854   41.266  227.621   58.441  340.073   25.965  300.034   41.678 40.03928 49.10400 
1 1 1   11    9   20 o  321.956   26.653  259.111   40.027  240.900   56.446  277.533   56.770  309.847   38.980  334.066   36.362 -24.21921 53.30690 
1 1 1   11    9   21 o  235.005   15.548  124.321   16.393  161.152   28.485  106.081   20.045  259.090   23.524  210.920   20.335 48.16917 31.09531 
1 1 1   11    9   22 o  113.920   14.580   33.221   7.0298   26.724   11.971   36.640   8.6848  103.320   25.052  124.520   14.924 -21.20042 29.15993 
1 1 1   11    9   23 o  161.229   11.723   61.730   8.7971   68.520   12.503   55.073   12.380  170.140   15.724  152.318   17.391 17.82254 23.44557 
1 1 1   11    9   24 o  444.626   25.392  496.577   52.353  563.493   74.061  429.744   74.015  476.799   33.236  412.453   38.397 64.34647 50.78392 
1 1 1   11    9   25 o  256.571   19.335  160.816   21.733  161.260   26.556  159.915   37.819  259.043   21.935  254.100   31.846 4.942581 38.66959 
1 1 1   11    9   26 o  111.058   11.228   22.784   4.8646   18.361   5.3743   42.839   11.444   88.159   13.044  133.958   18.280 -45.79855 22.45699 
1 1 1   11    9   27 o  116.863   9.8285   22.328   4.4144   15.387   4.8529   55.615   10.627   80.665   12.873  153.060   14.856 -72.39504 19.65694 
1 1 1   11    9   28 o  182.862   14.807   81.091   10.700   81.385   12.256   80.149   21.944  185.191   14.161  180.534   26.008 4.657196 29.61378 
1 1 1   11    9   29 o   76.305   14.559   14.678   4.7452   15.222   5.3651   12.723   10.169   78.742   15.129   73.869   24.880 4.872894 29.11829 
1 1 1   11    9   30 o  166.210   13.766   65.214   9.9137   63.048   11.882   70.175   17.983  162.646   15.632  169.774   22.665 -7.127991 27.53293 
1 1 1   11    9   31 o  208.951   28.297  109.168   27.632  109.168   27.632   0.0000   0.0000  208.951   28.297  ?   ?       ?      ? 
1 1 1   11    9   32 o  232.390   16.251  129.263   17.650  129.263   17.650   0.0000   0.0000  232.390   16.251  ?   ?       ?      ? 
1 1 1   11    9   33 o   68.300   19.683   11.592   6.6262   11.592   6.6262   0.0000   0.0000   68.300   19.683  ?   ?       ?      ? 
1 1 1   11    9   34 o   80.699   15.554   17.132   5.9391   19.113   7.2404   13.057   10.384   87.344   18.322   74.054   25.140 13.28958 31.10777 
1 1 1   11    9   35 o  185.818   15.958   84.970   13.050   83.672   15.954   87.594   22.684  185.486   18.404  186.149   26.074 -0.6631470 31.91522 
1 1 1   11    9   36 o  199.231   17.604  102.062   14.931  106.001   18.051   93.528   26.570  208.622   18.514  189.841   29.947 18.78090 35.20826 
1 1 1   11    9   37 o  105.289   15.691   27.403   7.2722   24.733   9.1102   32.094   12.074   98.884   20.391  111.695   23.854 -12.81128 31.38149 
1 1 1   11    9   38 o   69.731   15.094   11.827   4.8415   11.883   5.5095   11.634   10.144   68.734   17.194   70.728   24.812 -1.993912 30.18745 
1 1 1   11    9   39 o   47.959   13.369   3.1200   3.6345   2.5479   4.0450   5.5180   8.2809   39.631   15.338   56.286   21.900 -16.65454 26.73717 
1 1 1   11    9   40 o  130.846   15.491   46.827   7.3412   49.507   8.3436   37.640   15.447  143.875   12.409  117.818   28.389 26.05678 30.98252 
1 1 1   11    9   41 o   69.436   16.231   10.144   5.9637   6.3758   7.2681   17.908   10.433   55.965   20.810   82.907   24.915 -26.94221 32.46220 
1 1 1   11    9   42 o   54.434   12.058   7.5626   4.3022   12.133   4.7037 -15.8273   10.641   69.675   14.896   39.193   18.965 30.48196 24.11599 
1 1 1   11    9   43 o  137.931   15.445   47.770   8.0512   47.472   9.1676   48.772   16.834  140.551   13.957  135.312   27.556 5.238647 30.88928 
1 1 1   11    9   44 o   59.933   14.827   8.3340   4.5579   9.0804   5.0596   5.1211   10.498   60.163   17.156   59.703   24.188 0.4605331 29.65479 
1 1 1   11    9   45 o   76.887   15.490   13.308   5.6292   9.0316   6.7610   22.970   10.163   60.861   20.286   92.913   23.415 -32.05150 30.98025 
1 1 1   11    9   46 o   43.484   13.448   0.5124   4.4736   2.0051   4.9486  -6.1622   10.464   40.993   16.607   45.975   21.155 -4.981998 26.89527 
1 1 1   11    9   47 o   77.061   18.687   15.177   8.1193   13.553   11.180   16.989   11.811   73.775   26.034   80.347   26.814 -6.571777 37.37329 
1 1 1   11    9   48 o  100.824   27.953   28.580   13.630   0.0000   0.0000   28.580   13.630  ?   ?   100.824   27.953      ?      ? 
1 1 1   11    9   50 o   74.722   27.818   14.065   12.996   14.065   12.996   0.0000   0.0000   74.722   27.818  ?   ?       ?      ? 
1 1 1   11    9   51 o  104.560   20.618   32.641   10.654   26.183   15.845   37.970   14.392   93.706   31.047  115.415   27.139 -21.70919 41.23632 
1 1 1   11    9   52 o   88.355   18.617   22.795   8.7271   14.237   13.247   29.358   11.600   74.242   27.997  102.467   24.547 -28.22478 37.23368 
1 1 1   11    9   53 o   45.483   13.571   1.6519   5.0320   4.3079   6.2119  -3.4174   8.5820   48.257   18.915   42.710   19.466 5.546478 27.14239 
1 1 1   11    9   54 o   59.374   13.807   8.8585   5.3899   15.174   6.6284  -3.4670   9.2600   74.827   18.938   43.921   20.096 30.90632 27.61307 
1 1 1   11    9   55 o   75.146   14.385   16.814   5.5527   21.491   6.8743   8.0339   9.4189   90.622   16.852   59.669   23.318 30.95276 28.76982 
1 1 1   11    9   56 o   90.279   13.787   17.746   5.8753   7.8194   7.0271   40.803   10.710   56.075   20.530  124.483   18.409 -68.40813 27.57492 
1 1 1   11    9   57 o   86.159   17.291   22.358   7.3682   16.730   9.7196   29.964   11.298   73.673   24.312   98.645   24.593 -24.97205 34.58141 
1 1 1   11    9   58 o   43.798   13.593  -1.9318   5.7498  -9.2345   8.0273   5.7624   8.2396   34.794   16.745   52.801   21.416 -18.00725 27.18563 
1 1 1   11    9   59 o   54.229   15.493   6.2108   6.5815  -1.4548   10.196   11.686   8.6172   45.874   21.025   62.583   22.762 -16.70901 30.98633 
1 1 1   11    9   60 o   55.115   14.619   8.7540   5.1723   10.324   6.4494   5.9251   8.6586   58.867   19.813   51.364   21.500 7.503319 29.23764 
1 1 1   11    9   61 o   41.419   12.405   0.2574   4.3761  -4.7222   5.6618   7.6464   6.8968   30.737   14.591   52.101   20.066 -21.36394 24.80973 
1 1 1   11    9   62 o   43.052   14.062  -0.7317   6.3031  -0.0001   10.820  -1.1075   7.7548   46.204   21.350   39.901   18.306 6.302788 28.12354 
1 1 1   11    9   63 o   49.192   14.992   5.9250   6.0969   7.3904   9.9819   5.0530   7.7002   51.649   22.386   46.735   19.949 4.913811 29.98491 
1 1 1   11   10    0 o  363.995   20.827  319.052   49.351  319.052   49.351  319.052   49.351  363.995   29.454  363.995   29.454 -0.000000 0.000000 
1 1 1   11   10    1 o  218.604   13.288  112.783   13.561  106.945   19.190  118.606   19.167  212.896   19.287  224.312   18.283 -11.41647 26.57524 
1 1 1   11   10    2 o  569.850   46.439  846.954  123.049  935.596  174.055  758.388  173.981  603.106   61.752  536.594   69.377 66.51208 92.87836 
1 1 1   11   10    3 o  600.633   71.634  958.762  201.082   0.0000   0.0000  958.762  201.082  ?   ?   600.633   71.634      ?      ? 
1 1 1   11   10    4 o  375.116   29.320  336.471   51.400   0.0000   0.0000  336.471   51.400  ?   ?   375.116   29.320      ?      ? 
1 1 1   11   10    5 o  304.587   23.821  220.163   33.909   0.0000   0.0000  220.163   33.909  ?   ?   304.587   23.821      ?      ? 
1 1 1   11   10    6 o  480.199   33.108  569.378   69.932  564.994   85.621  578.162  121.207  482.141   37.998  478.258   54.228 3.882324 66.21558 
1 1 1   11   10    7 o  670.042   44.777  1130.26  133.633  1048.18  163.633  1294.63  231.554  643.555   54.405  696.529   71.133 -52.97321 89.55351 
1 1 1   11   10    8 o  532.452   35.841  699.406   84.432  676.318  103.378  745.661  146.324  525.014   42.132  539.889   57.992 -14.87512 71.68118 
1 1 1   11   10    9 o  442.336   30.925  484.040   59.870  489.046   73.282  473.993  103.820  449.893   34.853  434.779   51.094 15.11414 61.84944 
1 1 1   11   10   10 o  246.393   17.130  140.356   18.686  132.824   22.741  156.010   32.784  237.040   20.528  255.746   27.429 -18.70612 34.26028 
1 1 1   11   10   11 o  148.465   15.260   51.841   10.588   51.841   10.588   0.0000   0.0000  148.465   15.260  ?   ?       ?      ? 
1 1 1   11   10   12 o  239.804   20.239  135.984   22.683  135.984   22.683   0.0000   0.0000  239.804   20.239  ?   ?       ?      ? 
1 1 1   11   10   13 o  383.373   28.936  375.651   47.489  402.117   58.129  322.535   82.349  408.828   30.423  357.918   49.230 50.90945 57.87202 
1 1 1   11   10   14 o  226.922   13.819  122.228   14.622  113.179   20.731  131.184   20.625  218.425   20.309  235.419   18.746 -16.99446 27.63805 
1 1 1   11   10   15 o  417.013   29.783  444.282   53.897  460.377   66.069  412.264   93.188  434.325   32.549  399.700   49.887 34.62515 59.56608 
1 1 1   11   10   16 o  171.798   11.830   70.199   9.4249   60.292   13.332   80.097   13.325  159.464   17.889  184.132   15.485 -24.66858 23.66041 
1 1 1   11   10   17 o  393.668   22.520  379.526   41.432  382.434   58.610  376.621   58.577  395.242   31.729  392.093   31.966 3.149109 45.04002 
1 1 1   11   10   18 o  299.645   17.839  216.315   24.978  213.037   35.379  219.572   35.270  297.297   25.463  301.993   24.990 -4.695679 35.67730 
1 1 1   11   10   19 o  340.103   19.045  279.990   30.266  286.888   42.848  273.121   42.756  344.421   26.619  335.785   27.245 8.635468 38.09075 
1 1 1   11   10   20 o  164.783   12.190   61.135   8.9421   75.195   15.767   54.467   10.857  177.784   18.976  151.782   15.306 26.00233 24.37934 
1 1 1   11   10   21 o  336.284   27.344  307.862   37.878  223.168   65.610  350.200   46.389  292.080   48.065  380.487   26.087 -88.40778 54.68786 
1 1 1   11   10   22 o  301.287   17.829  219.477   25.088  210.987   35.541  227.909   35.418  295.260   25.756  307.313   24.660 -12.05325 35.65809 
1 1 1   11   10   23 o  168.921   11.576   67.654   9.1354   69.447   13.128   65.972   12.720  171.082   16.419  166.761   16.321 4.320755 23.15134 
1 1 1   11   10   24 o  375.486   21.478  351.204   37.061  281.329   52.392  421.185   52.432  335.645   33.399  415.327   27.012 -79.68173 42.95552 
1 1 1   11   10   25 o  108.921   14.784   27.600   6.8850   24.044   8.3128   35.366   12.286   98.745   18.698  119.097   22.906 -20.35145 29.56840 
1 1 1   11   10   26 o  112.768   12.703   30.459   5.0516   30.178   5.5980   31.692   11.724  113.171   10.584  112.366   23.097 0.8052673 25.40651 
1 1 1   11   10   27 o  156.163   11.711   51.862   8.0014   41.101   9.4891   78.339   14.884  131.404   15.452  180.922   17.603 -49.51796 23.42291 
1 1 1   11   10   28 o  182.821   19.823   85.707   15.859  112.383   22.481   59.278   22.377  215.086   22.364  150.555   32.735 64.53101 39.64552 
1 1 1   11   10   29 o  104.560   14.233   25.976   6.9553   25.976   6.9553   0.0000   0.0000  104.560   14.233  ?   ?       ?      ? 
1 1 1   11   10   30 o  171.455   16.141   70.275   12.934   70.275   12.934   0.0000   0.0000  171.455   16.141  ?   ?       ?      ? 
1 1 1   11   10   31 o  100.033   15.069   23.876   7.0451   23.876   7.0451   0.0000   0.0000  100.033   15.069  ?   ?       ?      ? 
1 1 1   11   10   32 o   66.387   13.581   11.875   4.0668   13.301   4.4674   4.9777   9.8254   73.687   13.469   59.088   23.588 14.59975 27.16278 
1 1 1   11   10   33 o  127.390   11.458   33.744   5.7780   29.732   6.4640   49.690   12.888  111.860   12.365  142.920   19.295 -31.05929 22.91687 
1 1 1   11   10   34 o   98.431   14.864   24.131   6.4068   22.819   7.9641   26.537   10.786   95.391   18.532  101.472   23.243 -6.081573 29.72703 
1 1 1   11   10   35 o  162.021   13.953   59.415   10.157   45.664   12.503   86.087   17.414  136.606   19.585  187.437   19.880 -50.83084 27.90634 
1 1 1   11   10   36 o  140.934   14.555   47.561   9.5869   47.561   9.5869   0.0000   0.0000  140.934   14.555  ?   ?       ?      ? 
1 1 1   11   10   37 o  230.203   21.686  138.594   23.276  128.613   32.901  148.592   32.932  220.930   31.865  239.475   29.425 -18.54501 43.37286 
1 1 1   11   10   38 o  103.020   15.379   27.439   6.9749   28.686   8.6387   25.104   11.822  108.598   17.021   97.442   25.620 11.15533 30.75873 
1 1 1   11   10   39 o  157.040   18.645   71.755   11.702   84.898   14.369   45.863   20.167  186.792   16.460  127.288   33.460 59.50446 37.28930 
1 1 1   11   10   40 o   90.534   16.383   22.083   6.7962   24.012   8.3131   18.195   11.801   97.354   18.953   83.714   26.727 13.63953 32.76517 
1 1 1   11   10   41 o  115.252   15.796   36.682   6.8253   38.988   7.7523   28.734   14.394  127.576   13.002  102.928   28.793 24.64827 31.59269 
1 1 1   11   10   42 o  155.461   13.102   56.607   8.0810   54.265   9.1798   64.672   17.034  150.522   13.049  160.401   22.723 -9.878769 26.20382 
1 1 1   11   10   43 o   94.876   14.874   22.449   5.4342   22.230   6.0807   23.317   12.110   96.221   13.522   93.531   26.498 2.689804 29.74874 
1 1 1   11   10   44 o   83.291   15.666   17.003   5.4872   15.915   6.2514   20.653   11.453   79.005   17.401   87.576   26.056 -8.570862 31.33194 
1 1 1   11   10   45 o  190.543   15.261   93.033   12.683   96.151   15.609   86.971   21.760  198.069   16.862  183.016   25.441 15.05296 30.52157 
1 1 1   11   10   46 o  201.651   23.877  117.399   21.111   81.387   29.902  153.186   29.809  162.194   39.756  241.109   26.454 -78.91452 47.75308 
1 1 1   11   10   47 f  198.056   21.634  109.315   19.986  103.882   28.466  114.597   28.067  192.001   31.723  204.110   29.423 -12.10936 43.26749 
1 1 1   11   10   48 o   58.747   21.536   7.7821   7.7359   7.7821   7.7359   0.0000   0.0000   58.747   21.536  ?   ?       ?      ? 
1 1 1   11   10   49 o  149.056   14.545   54.444   10.132   54.444   10.132   0.0000   0.0000  149.056   14.545  ?   ?       ?      ? 
1 1 1   11   10   50 o   88.675   18.003   21.743   7.8159   19.254   10.388   24.990   11.865   83.323   24.820   94.027   26.085 -10.70399 36.00690 
1 1 1   11   10   51 o  123.872   18.666   42.579   10.413   51.050   16.006   36.363   13.711  134.671   26.374  113.073   26.421 21.59850 37.33199 
1 1 1   11   10   52 o   45.932   13.786  -0.8891   5.4026   6.5360   8.3151  -6.3137   7.1072   56.371   21.942   35.492   16.696 20.87865 27.57230 
1 1 1   11   10   53 o   39.250   13.007  -5.2192   5.5599  -6.9958   10.050  -4.4357   6.6743   42.667   20.002   35.832   16.632 6.835144 26.01326 
1 1 1   11   10   54 o  104.325   16.163   29.682   7.6157   23.612   9.8974   38.492   11.924   91.039   23.196  117.612   22.514 -26.57310 32.32530 
1 1 1   11   10   55 o   89.075   15.876   21.024   6.3175   17.468   7.6890   28.413   11.083   79.268   20.575   98.882   24.183 -19.61386 31.75171 
1 1 1   11   10   56 o   49.590   14.468   2.8694   5.7979  -3.0755   8.2243   8.7430   8.1748   40.972   18.817   58.208   21.983 -17.23523 28.93652 
1 1 1   11   10   57 o   32.857   10.960  -7.1301   4.7083  -1.1778   5.9376 -17.2132   7.7280   36.897   16.563   28.817   14.359 8.079943 21.92065 
1 1 1   11   10   58 o   47.717   12.697   3.2855   4.7224   10.398   6.1571  -6.8762   7.3596   60.761   19.296   34.674   16.510 26.08722 25.39481 
1 1 1   11   10   59 f   56.650   15.347   9.1106   5.5670   9.1068   6.9465   9.1175   9.3075   56.185   20.436   57.114   22.903 -0.9286652 30.69464 
1 1 1   11   10   60 o   49.745   14.038   5.9964   5.2244   9.2053   6.5846   0.5438   8.5832   55.716   19.946   43.775   19.758 11.94112 28.07508 
1 1 1   11   10   61 o   59.021   12.003   5.1235   4.8858  -7.6495   6.3861   23.154   7.5874   30.197   14.631   87.845   19.031 -57.64769 24.00572 
1 1 1   11   10   62 o   56.434   15.548   10.099   5.8970   8.3093   7.9442   12.296   8.8008   52.890   21.177   59.977   22.771 -7.086155 31.09589 
1 1 1   11   10   63 o   42.424   18.676   2.8011   7.1836   2.8011   7.1836   0.0000   0.0000   42.424   18.676  ?   ?       ?      ? 
1 1 1   11   11    0 o  525.905   44.630  707.033  149.216  707.033  149.216  707.033  149.216  525.905   63.117  525.905   63.117 -0.000000 0.000000 
1 1 1   11   11    1 o  363.833   23.889  325.032   34.721  307.304   69.318  330.970   40.116  354.065   41.891  373.601   22.976 -19.53607 47.77800 
1 1 1   11   11    2 o  470.802   30.338  535.414   57.971  563.184  115.884  526.144   66.950  473.157   52.405  468.446   30.581 4.711243 60.67542 
1 1 1   11   11    3 o  255.842   16.758  154.143   20.037   0.0000   0.0000  154.143   20.037  ?   ?   255.842   16.758      ?      ? 
1 1 1   11   11    4 o  113.499   10.304   30.843   5.3285   23.191   7.5859   38.296   7.4864   99.257   16.353  127.741   12.540 -28.48434 20.60770 
1 1 1   11   11    5 o  280.215   14.336  183.484   18.471  174.615   23.818  196.864   29.255  272.045   18.734  288.384   21.706 -16.33920 28.67274 
1 1 1   11   11    6 o  396.435   26.584  390.420   41.856  399.232   48.315  363.912   83.799  409.729   25.231  383.140   46.799 26.58893 53.16772 
1 1 1   11   11    7 o  734.756   31.453  1339.27  106.938  1544.90  151.265  1133.82  151.200  794.604   40.733  674.907   47.936 119.6967 62.90520 
1 1 1   11   11    8 o  532.568   25.593  684.875   62.519  670.544   80.695  706.396   98.884  527.431   32.737  537.705   39.349 -10.27368 51.18659 
1 1 1   11   11    9 o  137.428   9.4757   44.019   5.9625   42.649   7.6436   46.149   9.5295  134.788   12.134  140.069   14.558 -5.281509 18.95137 
1 1 1   11   11   10 o  238.585   14.370  136.542   15.665  103.318   22.023  170.569   22.288  208.448   22.607  268.722   17.747 -60.27408 28.74034 
1 1 1   11   11   11 o  576.417   31.771  841.198   84.450  694.041  119.356  988.717  119.503  521.750   48.949  631.084   40.518 -109.3341 63.54287 
1 1 1   11   11   12 o  272.324   18.644  173.614   22.627  163.290   27.724  194.212   39.160  261.529   22.683  283.118   29.596 -21.58893 37.28802 
1 1 1   11   11   13 o  173.944   11.429   71.604   9.2826   74.272   13.034   68.857   13.223  177.289   15.731  170.599   16.585 6.690338 22.85875 
1 1 1   11   11   14 o  167.946   13.890   65.493   10.379   72.350   17.995   62.076   12.705  173.971   22.132  161.920   16.789 12.05078 27.77919 
1 1 1   11   11   15 o  137.010   10.468   44.348   6.6974   46.501   9.4828   42.204   9.4602  140.364   14.456  133.656   15.145 6.707489 20.93655 
1 1 1   11   11   16 o  156.023   11.634   57.760   8.4451   51.244   11.889   64.396   11.998  147.014   17.304  165.032   15.556 -18.01797 23.26836 
1 1 1   11   11   17 o  230.139   13.955  126.162   15.007  123.846   21.226  128.477   21.221  227.985   19.922  232.292   19.547 -4.306976 27.90987 
1 1 1   11   11   18 o  102.564   10.742   24.721   5.1173   26.137   7.7574   23.631   6.8089  105.100   15.793  100.028   14.565 5.072273 21.48406 
1 1 1   11   11   19 o  286.403   22.542  207.352   27.886  185.328   48.221  218.418   34.182  271.645   37.983  301.160   24.286 -29.51526 45.08363 
1 1 1   11   11   20 o  258.306   18.458  157.272   21.220  175.993   36.817  147.960   25.966  268.295   29.363  248.316   22.375 19.97873 36.91632 
1 1 1   11   11   21 o  195.379   13.581   90.404   11.700   93.078   20.338   89.081   14.303  196.874   22.104  193.884   15.785 2.990173 27.16201 
1 1 1   11   11   22 o  401.499   23.537  402.142   44.120  422.332   62.444  382.014   62.346  412.221   32.413  390.777   34.138 21.44424 47.07412 
1 1 1   11   11   23 o  146.013   10.852   50.391   7.3632   58.357   10.759   43.374   10.099  156.920   14.671  135.107   15.993 21.81342 21.70309 
1 1 1   11   11   24 o  195.210   11.947   91.014   10.836  103.679   15.502   78.915   15.152  208.736   15.891  181.684   17.844 27.05183 23.89470 
1 1 1   11   11   25 o  180.348   12.036   79.193   9.7470  105.574   13.939   53.949   13.635  210.932   14.140  149.765   19.481 61.16753 24.07136 
1 1 1   11   11   26 o  229.331   20.877  131.416   22.338  139.333   31.549  123.456   31.634  236.758   28.512  221.903   30.503 14.85545 41.75388 
1 1 1   11   11   27 f  214.718   11.983  103.049   11.375   89.735   13.677  132.927   20.489  194.196   15.069  235.240   18.636 -41.04453 23.96666 
1 1 1   11   11   28 o  297.697   25.781  218.850   35.868  218.850   35.868   0.0000   0.0000  297.697   25.781  ?   ?       ?      ? 
1 1 1   11   11   29 o  174.236   13.778   72.154   11.219   72.154   11.219   0.0000   0.0000  174.236   13.778  ?   ?       ?      ? 
1 1 1   11   11   30 o  149.915   16.904   53.941   11.843   53.941   11.843   0.0000   0.0000  149.915   16.904  ?   ?       ?      ? 
1 1 1   11   11   31 o  367.388   35.717  419.010   51.474  470.126   63.054  316.890   89.122  427.148   31.586  307.628   64.071 119.5204 71.43307 
1 1 1   11   11   32 o  162.257   14.293   62.156   10.302   57.579   12.551   71.612   18.038  154.346   17.399  170.167   22.682 -15.82036 28.58697 
1 1 1   11   11   33 o   37.748   12.084  -1.4841   2.7488  -1.8162   2.8996   1.4623   8.6360   24.810   11.311   50.686   21.358 -25.87626 24.16810 
1 1 1   11   11   34 o  169.677   17.141   76.603   11.900   83.693   14.557   62.325   20.658  186.112   16.736  153.243   29.919 32.86957 34.28193 
1 1 1   11   11   35 o  240.881   22.733  161.122   22.156  177.338   27.111  128.518   38.442  268.242   21.626  213.520   39.993 54.72232 45.46571 
1 1 1   11   11   36 o   79.858   14.411   18.588   5.4136   22.198   6.1503   6.1707   11.407   96.323   13.662   63.393   25.378 32.92980 28.82188 
1 1 1   11   11   37 o  110.905   13.538   27.919   6.1000   24.876   7.0306   37.184   12.269  101.600   14.807  120.210   22.670 -18.61034 27.07670 
1 1 1   11   11   38 o  153.470   13.132   53.956   8.1597   50.237   9.3060   66.325   16.971  144.546   13.776  162.394   22.361 -17.84773 26.26409 
1 1 1   11   11   39 o  141.523   14.876   48.871   9.3010   46.831   11.345   53.052   16.243  138.443   17.535  144.604   24.035 -6.161652 29.75116 
1 1 1   11   11   40 o  108.303   15.893   30.827   7.1600   32.018   8.4552   27.809   13.461  114.958   15.738  101.649   27.618 13.30900 31.78690 
1 1 1   11   11   41 o   80.880   14.762   16.379   5.1404   16.002   5.9791   17.446   10.064   79.810   16.572   81.950   24.435 -2.140747 29.52446 
1 1 1   11   11   42 o   41.076   11.969   1.5280   3.7566   4.4458   4.0552 -16.1218   9.9736   44.976   15.693   37.176   18.076 7.799984 23.93763 
1 1 1   11   11   43 o   42.071   12.994  -1.9561   5.2276   3.2902   6.1924 -14.9684   9.7523   47.043   18.743   37.100   18.001 9.942589 25.98708 
1 1 1   11   11   44 o  215.272   19.231  123.703   17.938  127.469   22.000  116.234   30.982  225.223   20.901  205.322   32.287 19.90057 38.46175 
1 1 1   11   11   45 o   77.815   17.784   14.416   8.1051   4.5822   11.341   24.682   11.588   60.031   24.823   95.599   25.475 -35.56806 35.56881 
1 1 1   11   11   46 o   57.914   17.069   2.8589   7.8008   8.5502   11.637  -1.7857   10.513   65.691   25.845   50.137   22.305 15.55395 34.13876 
1 1 1   11   11   47 o  114.692   16.172   32.476   8.6682   32.476   8.6682   0.0000   0.0000  114.692   16.172  ?   ?       ?      ? 
1 1 1   11   11   48 o  162.986   14.882   65.208   11.336   65.208   11.336   0.0000   0.0000  162.986   14.882  ?   ?       ?      ? 
1 1 1   11   11   49 o   48.762   15.268  -0.8734   6.8333  -0.4754   9.0426  -1.4032   10.433   47.689   20.974   49.835   22.192 -2.145664 30.53528 
1 1 1   11   11   50 o  105.848   21.053   32.099   10.839   43.082   17.078   24.691   14.025  120.033   30.409   91.664   29.123 28.36975 42.10512 
1 1 1   11   11   51 o   97.406   28.097   27.960   13.497   0.0000   0.0000   27.960   13.497  ?   ?    97.406   28.097      ?      ? 
1 1 1   11   11   52 o  102.131   16.083   33.659   7.2907   40.029   8.5804   17.116   13.827  126.792   14.480   77.469   28.723 49.32323 32.16616 
1 1 1   11   11   53 o   64.003   16.033   9.3454   5.7967   5.9255   7.0655   16.387   10.138   52.574   20.292   75.432   24.827 -22.85788 32.06507 
1 1 1   11   11   54 o  110.205   16.217   33.322   7.9103   29.971   10.038   38.811   12.848  104.161   21.339  116.249   24.426 -12.08848 32.43378 
1 1 1   11   11   55 o   99.139   16.813   28.382   7.5982   24.770   9.8380   33.723   11.961   91.966   22.960  106.313   24.567 -14.34706 33.62642 
1 1 1   11   11   56 o   34.585   11.688  -7.6618   5.3321  -9.1795   7.6356  -6.2172   7.4493   33.602   16.212   35.567   16.841 -1.964947 23.37617 
1 1 1   11   11   57 o   59.527   15.616   9.5450   5.7851   9.0888   8.2597   9.9842   8.1052   58.685   22.112   60.368   22.057 -1.683300 31.23224 
1 1 1   11   11   58 o   49.963   14.430   5.5378   5.3347   5.1703   7.7816   5.8636   7.3276   49.654   20.549   50.272   20.264 -0.6180420 28.85980 
1 1 1   11   11   59 o   69.658   14.751   12.076   5.6129   4.1046   6.9080   27.564   9.6286   46.033   19.231   93.284   22.374 -47.25161 29.50285 
1 1 1   11   11   60 o   46.336   14.155   3.4244   5.6726   0.8757   7.9807   6.0269   8.0644   42.711   19.186   49.962   20.817 -7.250351 28.30989 
1 1 1   11   11   61 o   42.347   13.050   1.7642   4.9239   5.0118   7.1856  -1.1109   6.7609   47.097   19.639   37.597   17.191 9.499905 26.10027 
1 1 1   11   11   62 o   60.558   21.874   12.971   7.9384   12.971   7.9384   0.0000   0.0000   60.558   21.874  ?   ?       ?      ? 
1 1 1   11   12    0 o  199.704   13.259   96.145   17.146   96.145   17.146   96.145   17.146  199.704   18.751  199.704   18.751 -0.000000 0.000000 
1 1 1   11   12    1 o  197.139   14.268   92.059   11.400   92.104   13.185   91.926   22.689  197.880   14.257  196.398   24.719 1.482285 28.53596 
1 1 1   11   12    2 o  363.938   26.669  336.747   41.578  288.230   72.030  360.991   50.917  339.852   45.350  388.025   28.078 -48.17258 53.33850 
1 1 1   11   12    3 o  267.761   17.882  164.452   21.386  194.150   37.194  149.784   26.139  284.465   27.977  251.058   22.278 33.40747 35.76314 
1 1 1   11   12    4 o  242.356   13.148  141.392   14.426  127.998   22.838  150.285   18.609  232.224   21.043  252.489   15.770 -20.26485 26.29672 
1 1 1   11   12    5 o  189.582   10.872   84.596   9.4309   85.335   14.970   84.109   12.144  190.102   16.849  189.061   13.744 1.040909 21.74384 
1 1 1   11   12    6 o  345.645   18.054  282.410   28.737  264.913   37.128  308.556   45.385  333.019   23.856  358.272   27.106 -25.25317 36.10821 
1 1 1   11   12    7 o  148.584   8.0098   51.779   5.4928   52.390   8.4843   51.338   7.2071  149.278   12.161  147.891   10.427 1.386963 16.01955 
1 1 1   11   12    8 o  480.005   22.969  567.020   50.853  668.260   71.956  465.999   71.878  525.074   29.323  434.935   35.361 90.13898 45.93746 
1 1 1   11   12    9 o  598.992   33.101  922.338   92.610  954.928  130.954  889.732  130.987  610.644   45.887  587.339   47.720 23.30444 66.20253 
1 1 1   11   12   10 o  361.113   20.267  316.727   34.136  294.302   48.231  339.236   48.322  347.813   29.671  374.413   27.615 -26.59933 40.53381 
1 1 1   11   12   11 o  332.288   18.910  267.273   29.278  289.849   41.359  244.596   41.452  346.870   25.513  317.705   27.918 29.16464 37.81942 
1 1 1   11   12   12 o  292.712   16.690  205.877   22.764  187.345   32.085  224.662   32.303  279.100   24.598  306.325   22.564 -27.22562 33.37942 
1 1 1   11   12   13 o  657.692   38.787  1159.69  119.217  1169.29  168.568  1150.08  168.629  660.833   54.581  654.550   55.125 6.282532 77.57455 
1 1 1   11   12   14 o  555.969   31.316  792.462   81.351  809.814  115.030  775.099  115.067  562.658   43.744  549.280   44.824 13.37787 62.63210 
1 1 1   11   12   15 o  374.763   20.587  342.294   36.031  356.730   50.944  327.844   50.968  383.013   28.460  366.513   29.755 16.49979 41.17465 
1 1 1   11   12   16 o  266.533   16.318  172.813   19.871  213.658   28.109  132.011   28.095  299.304   20.095  233.762   25.716 65.54202 32.63669 
1 1 1   11   12   17 o  360.923   21.270  319.222   35.813  298.271   50.645  340.178   50.651  348.502   31.095  373.345   29.029 -24.84253 42.53916 
1 1 1   11   12   18 o  343.151   19.474  287.036   31.135  262.294   44.038  311.764   44.026  327.726   28.752  358.577   26.271 -30.85098 38.94733 
1 1 1   11   12   19 o  519.380   29.728  650.622   69.341  865.193  120.226  543.668   84.882  576.445   44.627  462.315   39.286 114.1295 59.45532 
1 1 1   11   12   20 o  307.622   20.737  230.383   28.197  240.206   48.779  225.453   34.555  310.056   33.663  305.188   24.227 4.868469 41.47442 
1 1 1   11   12   21 o  216.912   14.061  112.850   14.250  109.980   20.189  115.700   20.116  214.080   20.179  219.743   19.587 -5.662842 28.12188 
1 1 1   11   12   22 o  136.907   11.023   44.559   7.0163   50.758   10.097   38.771   9.7568  146.233   14.774  127.581   16.363 18.65159 22.04630 
1 1 1   11   12   23 f  185.463   12.152   82.435   10.424   97.577   14.946   68.097   14.545  202.413   15.800  168.514   18.468 33.89902 24.30436 
1 1 1   11   12   24 o  220.671   18.220  121.502   17.356  114.483   30.530  124.854   21.096  213.666   30.574  227.675   19.826 -14.00969 36.43962 
1 1 1   11   12   25 o  199.176   13.646   95.593   12.676  102.025   17.872   89.082   17.982  206.146   18.551  192.205   20.018 13.94063 27.29188 
1 1 1   11   12   26 o  335.389   42.290  302.198   66.288  302.198   66.288   0.0000   0.0000  335.389   42.290  ?   ?       ?      ? 
1 1 1   11   12   27 o  102.962   12.115   25.094   5.8297   25.094   5.8297   0.0000   0.0000  102.962   12.115  ?   ?       ?      ? 
1 1 1   11   12   28 o   81.826   12.109   15.858   4.6306   15.858   4.6306   0.0000   0.0000   81.826   12.109  ?   ?       ?      ? 
1 1 1   11   12   29 o  168.461   10.868   62.834   7.3929   58.338   8.4060   78.187   15.533  156.995   11.457  179.927   18.473 -22.93254 21.73687 
1 1 1   11   12   30 o  264.951   22.664  199.810   21.536  216.192   24.820  149.898   43.323  299.138   17.754  230.764   41.706 68.37393 45.32733 
1 1 1   11   12   31 o   97.392   12.880   22.597   4.7397   21.959   5.3339   24.994   10.333   96.147   11.870   98.638   22.862 -2.490875 25.75974 
1 1 1   11   12   32 o  271.875   16.955  174.064   18.920  162.639   21.762  209.428   38.287  258.658   18.003  285.093   28.736 -26.43436 33.90929 
1 1 1   11   12   33 o   70.949   13.981   11.822   3.9191   11.556   4.2855   13.182   9.6861   68.374   13.885   73.523   24.270 -5.148575 27.96162 
1 1 1   11   12   34 o   67.499   15.216   10.876   5.2444   10.133   6.5364   12.219   8.7866   64.201   19.807   70.797   23.104 -6.596085 30.43221 
1 1 1   11   12   35 o  155.969   18.579   64.470   12.561   35.623   17.373   96.073   18.183  114.156   31.524  197.782   19.672 -83.62591 37.15817 
1 1 1   11   12   36 o  120.032   14.764   37.337   6.9999   38.480   8.1750   34.199   13.551  126.563   13.821  113.501   26.093 13.06228 29.52716 
1 1 1   11   12   37 o  207.475   13.330   96.630   11.401   87.091   13.058  127.215   23.382  189.948   14.710  225.002   22.236 -35.05417 26.66094 
1 1 1   11   12   38 o  143.458   14.313   49.016   9.1282   44.865   11.114   57.622   16.002  135.509   17.549  151.407   22.615 -15.89799 28.62518 
1 1 1   11   12   39 o  165.279   11.539   60.733   7.7262   55.606   8.7848   78.240   16.234  152.548   12.322  178.009   19.514 -25.46182 23.07885 
1 1 1   11   12   40 o  219.367   14.727  111.879   13.226  104.109   15.177  136.418   26.971  207.397   15.658  231.337   24.947 -23.94040 29.45327 
1 1 1   11   12   41 o  152.499   16.628   63.106   10.474   70.879   13.012   48.802   17.651  170.754   16.306  134.244   28.983 36.50975 33.25528 
1 1 1   11   12   42 o  110.517   15.775   29.638   7.6058   23.364   9.3490   41.919   13.080   94.435   21.646  126.599   22.952 -32.16431 31.54906 
1 1 1   11   12   43 o   73.909   16.945   9.5883   8.0609   26.415   11.981  -4.3274   10.896   99.024   25.675   48.794   22.121 50.23008 33.88963 
1 1 1   11   12   44 o   98.951   14.468   24.691   6.1045   24.170   7.3069   25.894   11.108   99.518   15.710   98.383   24.301 1.134834 28.93671 
1 1 1   11   12   45 o   74.476   18.542   14.039   8.0216   13.000   11.180   15.141   11.516   72.459   25.985   76.492   26.459 -4.033424 37.08470 
1 1 1   11   12   46 o   77.050   19.443   15.545   7.0013   15.545   7.0013   0.0000   0.0000   77.050   19.443  ?   ?       ?      ? 
1 1 1   11   12   47 o  138.087   13.463   46.391   8.6881   46.391   8.6881   0.0000   0.0000  138.087   13.463  ?   ?       ?      ? 
1 1 1   11   12   48 o   84.455   18.221   18.584   6.9805   18.584   6.9805   0.0000   0.0000   84.455   18.221  ?   ?       ?      ? 
1 1 1   11   12   49 o   72.784   16.623   12.836   5.8549   10.838   6.8182   18.448   11.425   64.423   20.289   81.146   26.338 -16.72288 33.24649 
1 1 1   11   12   50 o   61.449   17.491   5.8961   7.7960   12.852   12.098   0.9561   10.195   71.207   26.775   51.692   22.514 19.51485 34.98213 
1 1 1   11   12   51 o  102.242   16.547   23.423   10.248   62.032   16.006  -3.3972   13.341  151.562   22.597   52.923   24.179 98.63901 33.09431 
1 1 1   11   12   52 o   87.027   19.289   23.083   9.1603   30.199   12.658   15.261   13.273  100.348   26.572   73.707   27.968 26.64088 38.57856 
1 1 1   11   12   53 f  108.787   16.067   30.106   7.1193   26.448   8.2345   40.935   14.168   99.788   18.332  117.786   26.391 -17.99784 32.13377 
1 1 1   11   12   54 o   64.295   16.514   10.381   5.6848   9.3913   6.4837   13.673   11.822   59.151   19.866   69.439   26.384 -10.28858 33.02720 
1 1 1   11   12   55 o   70.470   18.213   14.908   7.7108   12.133   9.9719   19.035   12.160   64.708   24.313   76.233   27.125 -11.52496 36.42612 
1 1 1   11   12   56 o   50.295   14.787   3.9515   5.3904   2.6402   6.5237   6.7733   9.5701   44.484   18.644   56.105   22.956 -11.62098 29.57382 
1 1 1   11   12   57 o   50.619   14.689   5.4456   5.6659   7.7526   6.9984   1.0569   9.6526   53.897   20.343   47.342   21.194 6.555302 29.37758 
1 1 1   11   12   58 o   63.121   16.497   11.580   6.0800   8.7757   7.3432   17.695   10.843   55.296   20.846   70.945   25.573 -15.64854 32.99344 
1 1 1   11   12   59 o   86.094   17.474   25.975   7.3095   25.914   9.1560   26.083   12.137   89.870   21.981   82.318   27.168 7.551552 34.94712 
1 1 1   11   12   60 o   45.084   14.196   1.5275   6.2138  -2.9783   9.0719   5.5098   8.5285   40.662   19.043   49.505   21.060 -8.843815 28.39281 
1 1 1   11   12   61 o   46.544   13.916   5.1174   5.2182   5.7690   7.3881   4.4689   7.3712   47.572   19.882   45.515   19.476 2.057869 27.83174 
1 1 1   11   13    0 o  376.191   21.952  344.598   53.725  344.598   53.725  344.598   53.725  376.191   31.044  376.191   31.044 -0.000000 0.000000 
1 1 1   11   13    1 o  491.412   26.012  626.377   56.377  490.205   89.123  717.214   72.791  439.118   43.428  543.707   28.646 -104.5887 52.02481 
1 1 1   11   13    2 o  185.456   12.136   81.606   10.489   74.453   14.809   88.809   14.859  177.178   17.884  193.734   16.412 -16.55573 24.27275 
1 1 1   11   13    3 o  176.318   10.204   71.551   8.2985   62.128   10.739   85.519   13.075  162.294   14.158  190.341   14.698 -28.04726 20.40800 
1 1 1   11   13    4 o  365.741   21.646  328.193   36.637  277.654   51.817  378.716   51.809  336.177   32.981  395.305   28.043 -59.12766 43.29148 
1 1 1   11   13    5 o  399.745   20.461  389.995   37.930  336.263   53.646  443.709   53.636  370.987   30.941  428.503   26.783 -57.51532 40.92283 
1 1 1   11   13    6 o  115.089   10.148   31.253   5.4421   34.513   7.8010   28.162   7.5958  120.978   13.798  109.201   14.883 11.77729 20.29506 
1 1 1   11   13    7 o   94.323   8.4271   19.545   3.5883   27.335   6.0814   15.384   4.4445  107.777   12.074   80.869   11.760 26.90772 16.85424 
1 1 1   11   13    8 o  138.453   8.7362   45.164   5.6481   43.585   8.0497   46.695   7.9268  136.041   12.661  140.864   12.041 -4.822845 17.47233 
1 1 1   11   13    9 o  363.297   18.337  322.279   30.265  301.221   47.863  336.307   39.066  351.780   29.113  374.814   22.302 -23.03387 36.67324 
1 1 1   11   13   10 o  211.823   11.535  104.441   11.241  116.150   17.864   96.765   14.463  221.319   17.271  202.326   15.296 18.99274 23.07046 
1 1 1   11   13   11 o  255.866   15.154  157.147   17.993  135.991   25.429  178.361   25.463  238.154   22.847  273.578   19.915 -35.42496 30.30828 
1 1 1   11   13   12 o  248.958   14.548  147.956   16.925  150.361   23.911  145.540   23.960  251.036   20.381  246.881   20.766 4.155029 29.09642 
1 1 1   11   13   13 o  364.050   18.867  321.326   32.058  339.310   45.311  303.302   45.361  374.640   25.879  353.461   27.460 21.17874 37.73309 
1 1 1   11   13   14 o  259.276   15.308  161.059   18.530  152.320   26.144  169.879   26.267  252.045   22.195  266.506   21.089 -14.46030 30.61673 
1 1 1   11   13   15 o  337.356   19.043  276.838   29.950  298.239   42.344  255.412   42.369  350.941   25.817  323.770   28.001 27.17130 38.08640 
1 1 1   11   13   16 o  149.294   13.373   50.363   8.8624   62.124   15.734   44.898   10.726  161.060   20.903  137.529   16.687 23.53122 26.74685 
1 1 1   11   13   17 o  158.766   11.371   59.858   8.4307   58.024   12.025   61.631   11.823  156.315   16.461  161.218   15.692 -4.902847 22.74182 
1 1 1   11   13   18 o  180.670   13.356   74.712   10.773   89.221   18.790   67.608   13.148  192.739   20.860  168.602   16.686 24.13692 26.71270 
1 1 1   11   13   19 f  158.143   13.246   59.310   9.2470   61.504   16.061   58.223   11.310  159.716   21.516  156.570   15.456 3.146194 26.49231 
1 1 1   11   13   20 o  131.760   16.543   47.310   8.8704   54.508   10.795   32.347   15.564  151.433   15.253  112.087   29.361 39.34605 33.08684 
1 1 1   11   13   21 o  240.159   13.710  139.289   15.257  160.527   21.662  118.385   21.491  258.905   17.903  221.413   20.769 37.49217 27.41978 
1 1 1   11   13   22 o  181.229   13.686   76.923   10.851   84.978   19.450   73.283   13.074  187.107   22.243  175.351   15.954 11.75607 27.37260 
1 1 1   11   13   23 f   69.636   14.995   12.278   5.0260   7.7725   10.406   13.649   5.7399   65.114   24.751   74.158   16.934 -9.043854 29.98940 
1 1 1   11   13   24 o  113.429   13.145   32.904   6.2709   36.017   7.7706   27.090   10.619  123.217   13.494  103.642   22.563 19.57420 26.29066 
1 1 1   11   13   25 o  361.407   35.014  371.948   58.522  321.622   82.893  421.961   82.634  331.585   53.491  391.230   45.194 -59.64548 70.02701 
1 1 1   11   13   26 o  236.418   12.936  134.797   14.033  135.617   18.243  133.608   21.960  237.990   16.402  234.845   20.009 3.145020 25.87193 
1 1 1   11   13   27 o  470.599   40.306  679.800   81.290  692.968   99.665  653.630  140.499  502.594   42.431  438.604   68.542 63.99002 80.61278 
1 1 1   11   13   28 o  255.219   14.761  159.319   17.547  175.215   24.970  143.813   24.662  268.311   19.913  242.128   21.795 26.18329 29.52158 
1 1 1   11   13   29 o  115.554   8.9138   31.359   4.7565   29.281   6.1873   34.363   7.4374  111.041   11.923  120.067   13.254 -9.025360 17.82755 
1 1 1   11   13   30 o  209.174   16.566  114.328   13.661  119.962   15.876   98.254   26.818  223.422   15.204  194.927   29.438 28.49510 33.13265 
1 1 1   11   13   31 o  234.984   15.883  135.239   14.938  133.591   17.168  140.377   30.312  235.619   15.591  234.350   27.676 1.269135 31.76526 
1 1 1   11   13   32 o  122.897   15.724   39.483   8.0632   42.215   9.7927   33.732   14.209  132.488   15.816  113.306   27.181 19.18187 31.44775 
1 1 1   11   13   33 o  147.876   15.916   60.167   8.4164   64.449   9.5987   45.924   17.505  164.493   12.486  131.260   29.280 33.23317 31.83108 
1 1 1   11   13   34 o   95.111   17.020   23.663   7.6116   20.415   10.749   26.930   10.780   88.358   24.940  101.863   23.168 -13.50515 34.04039 
1 1 1   11   13   35 o  145.626   17.778   55.099   11.578   40.459   15.984   71.260   16.793  122.273   28.498  168.979   21.264 -46.70575 35.55687 
1 1 1   11   13   36 o  100.764   15.959   25.355   8.1133   9.5591   10.988   44.294   12.031   67.529   25.490  133.999   19.211 -66.46959 31.91872 
1 1 1   11   13   37 o   86.788   15.100   21.618   5.9179   25.032   6.8309   11.343   11.849  101.965   14.334   71.612   26.582 30.35304 30.20031 
1 1 1   11   13   38 o  307.841   20.051  236.220   25.138  224.167   28.950  273.158   50.679  300.378   20.622  315.304   34.392 -14.92599 40.10106 
1 1 1   11   13   39 o  228.162   22.161  147.105   20.382  162.017   24.931  117.051   35.392  255.364   20.890  200.960   39.091 54.40338 44.32283 
1 1 1   11   13   40 o  136.555   15.828   47.684   9.0944   47.935   11.026   47.151   16.083  140.144   16.835  132.967   26.807 7.176254 31.65527 
1 1 1   11   13   41 o   77.920   13.549   17.332   6.4660   28.236   7.8110  -6.4079   11.526  107.589   15.534   48.250   22.202 59.33924 27.09738 
1 1 1   11   13   42 o  102.657   14.238   27.156   5.5980   27.498   6.3587   25.977   11.803  107.009   12.715   98.305   25.480 8.704361 28.47630 
1 1 1   11   13   43 o   73.808   16.003   12.867   5.3765   11.547   6.1559   17.114   11.040   67.099   18.851   80.517   25.866 -13.41861 32.00620 
1 1 1   11   13   44 o  244.348   20.018  162.671   21.200  164.155   25.893  159.654   36.923  252.945   21.904  235.750   33.512 17.19518 40.03514 
1 1 1   11   13   45 o   87.908   18.397   19.979   7.3154   19.979   7.3154   0.0000   0.0000   87.908   18.397  ?   ?       ?      ? 
1 1 1   11   13   46 o  148.192   17.868   55.050   12.375   55.050   12.375   0.0000   0.0000  148.192   17.868  ?   ?       ?      ? 
1 1 1   11   13   47 f   99.184   16.393   26.910   7.0023   27.634   8.2305   25.014   13.324  105.206   16.740   93.162   28.192 12.04430 32.78696 
1 1 1   11   13   48 o   62.687   14.198   10.782   5.1176   14.268   5.9553   0.9394   10.007   73.921   17.508   51.453   22.357 22.46758 28.39684 
1 1 1   11   13   49 o  100.626   16.291   24.372   7.1937   17.084   8.6179   41.120   13.064   78.937   22.349  122.315   23.710 -43.37822 32.58276 
1 1 1   11   13   50 o  108.643   21.084   36.299   11.017   36.768   16.067   35.883   15.137  108.750   30.421  108.536   29.201 0.2139740 42.16773 
1 1 1   11   13   51 o   55.883   15.879   4.5879   7.0571   11.614   9.1241  -5.8733   11.134   65.825   23.488   45.941   21.376 19.88337 31.75892 
1 1 1   11   13   52 o   55.402   15.484   3.2741   7.1058   13.097   9.1191 -11.9097   11.338   68.893   23.558   41.912   20.101 26.98124 30.96807 
1 1 1   11   13   53 o   93.105   17.784   26.921   8.3158   34.137   11.216   18.113   12.392  109.284   22.702   76.925   27.381 32.35837 35.56863 
1 1 1   11   13   54 o   53.594   14.262   6.4541   5.6157   11.834   6.8482  -4.5911   9.8122   64.294   20.342   42.894   19.995 21.40035 28.52393 
1 1 1   11   13   55 o   56.186   14.652   3.6210   5.1896  -2.0510   6.1532   17.596   9.6585   36.451   16.563   75.922   24.173 -39.47039 29.30311 
1 1 1   11   13   56 o   43.263   14.424  -4.9971   7.3566  -9.8077   12.795  -2.6217   8.9913   44.161   21.226   42.364   19.536 1.797596 28.84762 
1 1 1   11   13   57 o   56.581   14.122   9.4707   5.3707   13.906   6.4525  -0.5317   9.6897   68.174   19.351   44.987   20.574 23.18649 28.24470 
1 1 1   11   13   58 o   54.394   14.619   8.7786   5.3501   11.073   6.4610   3.7724   9.5429   60.023   19.823   48.765   21.493 11.25842 29.23879 
1 1 1   11   13   59 o   51.411   15.481   4.9986   6.1728   1.6283   7.5083   12.027   10.843   42.748   18.942   60.073   24.491 -17.32460 30.96124 
1 1 1   11   13   60 o   47.775   15.123   3.8491   6.8821   3.4192   9.0690   4.4329   10.567   46.427   20.681   49.123   22.071 -2.696022 30.24616 
1 1 1   11   14    0 o  273.739   16.271  181.011   28.960  181.011   28.960  181.011   28.960  273.739   23.011  273.739   23.011 -0.000000 0.000000 
1 1 1   11   14    1 o  410.587   21.833  413.646   41.691  368.441   58.925  458.959   58.995  387.012   32.579  434.161   29.075 -47.14929 43.66603 
1 1 1   11   14    2 o  259.123   15.150  160.908   18.257  142.611   25.767  179.355   25.872  243.964   22.599  274.281   20.183 -30.31758 30.29983 
1 1 1   11   14    3 o  368.920   19.783  330.490   34.100  321.333   48.189  339.672   48.259  363.612   28.358  374.228   27.593 -10.61575 39.56696 
1 1 1   11   14    4 o  233.336   17.509  136.921   16.018  142.513   18.472  119.971   32.158  245.371   16.108  221.301   31.093 24.07019 35.01812 
1 1 1   11   14    5 f  329.600   19.609  250.018   26.699  235.414   30.822  293.920   53.438  313.937   21.007  345.262   33.118 -31.32474 39.21856 
1 1 1   11   14    6 o  476.873   32.288  588.421   61.395  590.665   70.928  581.716  122.613  491.033   30.907  462.712   56.700 28.32092 64.57661 
1 1 1   11   14    7 o  267.173   15.343  170.930   19.140  163.285   27.140  178.495   26.996  261.065   22.244  273.281   21.137 -12.21570 30.68535 
1 1 1   11   14    8 o  215.984   11.684  107.413   11.612  129.738   18.500   92.899   14.917  233.904   16.924  198.064   16.115 35.84044 23.36889 
1 1 1   11   14    9 o  139.419   9.3618   45.969   5.9348   45.263   9.5270   46.418   7.5867  138.390   14.730  140.449   11.558 -2.059052 18.72357 
1 1 1   11   14   10 o  178.887   15.589   80.488   11.880   66.664   20.646   87.330   14.526  165.792   26.646  191.982   16.189 -26.18985 31.17858 
1 1 1   11   14   11 o  223.635   15.682  113.776   15.740   99.245   19.278  142.834   27.261  203.820   20.238  243.450   23.960 -39.62927 31.36348 
1 1 1   11   14   12 o  298.225   15.823  219.545   21.188  188.580   33.546  240.097   27.330  278.926   25.734  317.524   18.417 -38.59894 31.64541 
1 1 1   11   14   13 o  187.354   11.064   81.188   9.5331   94.559   15.231   72.576   12.224  199.611   16.327  175.096   14.938 24.51559 22.12892 
1 1 1   11   14   14 o  150.980   10.955   54.089   7.7222   51.444   10.943   56.713   10.899  147.242   15.902  154.719   15.073 -7.476471 21.91066 
1 1 1   11   14   15 o  350.773   19.736  302.183   32.318  317.525   45.691  286.822   45.718  360.143   27.146  341.403   28.654 18.73969 39.47103 
1 1 1   11   14   16 o  332.142   17.423  268.578   27.037  261.217   38.194  275.972   38.279  327.405   24.961  336.879   24.313 -9.474335 34.84522 
1 1 1   11   14   17 o  221.699   28.203  121.554   29.222  121.554   29.222   0.0000   0.0000  221.699   28.203  ?   ?       ?      ? 
1 1 1   11   14   18 o  255.206   23.007  165.130   27.268  146.034   38.688  183.980   38.439  239.232   34.603  271.180   30.330 -31.94774 46.01376 
1 1 1   11   14   19 o  167.695   17.012   67.200   13.332   0.0000   0.0000   67.200   13.332  ?   ?   167.695   17.012      ?      ? 
1 1 1   11   14   20 o  143.303   15.259   51.728   9.1209   46.784   15.994   54.111   11.103  135.903   26.130  150.703   15.765 -14.80029 30.51753 
1 1 1   11   14   21 o  239.632   18.831  146.816   19.317  127.848   33.627  156.159   23.599  224.775   32.010  254.489   19.842 -29.71356 37.66142 
1 1 1   11   14   22 o  265.930   22.826  179.943   28.272  197.489   40.271  162.890   39.702  279.683   30.810  252.176   33.687 27.50713 45.65120 
1 1 1   11   14   23 o  157.801   10.707   59.005   7.7350   76.676   11.461   44.223   10.482  179.665   13.649  135.936   16.500 43.72922 21.41369 
1 1 1   11   14   24 o  238.016   13.409  137.400   14.601  140.113   18.942  133.429   22.919  241.758   16.765  234.274   20.933 7.483719 26.81897 
1 1 1   11   14   25 o  239.130   17.771  140.620   17.310  139.425   20.084  144.069   34.131  240.580   17.863  237.679   30.727 2.900986 35.54184 
1 1 1   11   14   26 o  257.320   14.300  163.052   16.728  169.842   21.617  152.916   26.412  265.426   17.426  249.214   22.677 16.21214 28.59933 
1 1 1   11   14   27 o  203.578   11.241   98.640   10.462  104.270   16.808   95.080   13.367  207.747   17.312  199.408   14.343 8.338974 22.48173 
1 1 1   11   14   28 o  113.272   9.1379   30.243   4.7701   28.621   6.1819   32.631   7.4994  109.706   12.057  116.837   13.734 -7.131477 18.27583 
1 1 1   11   14   29 f  227.847   15.565  129.099   16.470  114.087   23.409  143.814   23.176  213.822   23.426  241.873   20.503 -28.05130 31.13088 
1 1 1   11   14   30 f  309.551   16.155  239.721   22.963  191.107   32.457  288.445   32.494  275.920   25.170  343.183   20.259 -67.26282 32.31039 
1 1 1   11   14   31 o   95.611   13.787   22.515   4.8598   22.390   5.4048   23.039   11.105   97.065   11.915   94.157   24.866 2.908554 27.57335 
1 1 1   11   14   32 o  111.504   14.078   28.337   6.6277   24.386   7.8079   38.525   12.537  100.329   16.652  122.677   22.703 -22.34814 28.15514 
1 1 1   11   14   33 o   46.209   18.342   3.1041   5.9099   3.1041   5.9099   0.0000   0.0000   46.209   18.342  ?   ?       ?      ? 
1 1 1   11   14   34 o  114.826   24.041   34.519   12.488   34.519   12.488   0.0000   0.0000  114.826   24.041  ?   ?       ?      ? 
1 1 1   11   14   35 o  238.081   16.721  138.895   17.761  159.291   30.723  128.657   21.768  248.490   26.455  227.673   20.458 20.81743 33.44221 
1 1 1   11   14   36 o  259.573   14.202  168.881   16.728  176.853   21.612  156.969   26.420  269.279   17.173  249.867   22.625 19.41194 28.40414 
1 1 1   11   14   37 o  252.999   16.859  162.185   19.925  158.057   28.309  166.237   28.048  249.442   24.284  256.557   23.392 -7.115005 33.71789 
1 1 1   11   14   38 o  108.552   11.695   28.566   5.9148   29.473   8.7648   27.807   8.0150  110.001   17.049  107.103   16.012 2.898163 23.38953 
1 1 1   11   14   39 o  134.304   18.612   47.880   11.402   59.651   16.403   36.876   15.860  153.156   22.916  115.453   29.335 37.70319 37.22483 
1 1 1   11   14   40 o   90.455   15.162   25.132   6.4889   31.181   7.5826   8.5800   12.542  113.438   14.303   67.472   26.740 45.96586 30.32497 
1 1 1   11   14   41 o  156.918   15.137   60.152   10.585   55.948   12.964   68.562   18.336  150.417   18.441  163.419   24.008 -13.00127 30.27332 
1 1 1   11   14   42 f   83.341   15.593   18.083   5.5830   18.090   6.4047   18.060   11.393   84.443   16.820   82.239   26.262 2.204529 31.18650 
1 1 1   11   14   43 o  109.579   15.639   29.480   8.0093   29.480   8.0093   0.0000   0.0000  109.579   15.639  ?   ?       ?      ? 
1 1 1   11   14   44 o   48.181   17.589   4.9684   5.1529   4.9684   5.1529   0.0000   0.0000   48.181   17.589  ?   ?       ?      ? 
1 1 1   11   14   45 o   72.429   16.387   13.472   5.4172   13.472   5.4172   0.0000   0.0000   72.429   16.387  ?   ?       ?      ? 
1 1 1   11   14   46 o  159.249   12.338   56.326   8.1517   48.646   9.3273   81.161   16.774  140.845   14.170  177.654   20.203 -36.80887 24.67668 
1 1 1   11   14   47 o   85.746   19.088   20.499   8.4366   24.368   13.220   17.841   10.958   91.494   28.159   79.999   25.778 11.49454 38.17636 
1 1 1   11   14   48 o   55.443   14.962   6.7653   5.3626   9.2386   6.0446  -2.3781   11.622   59.878   19.129   51.008   23.010 8.869747 29.92317 
1 1 1   11   14   49 o   37.458   12.499  -6.6453   5.5269  -6.0063   6.9745  -7.7239   9.0615   35.227   16.561   39.689   18.726 -4.462032 24.99878 
1 1 1   11   14   50 o   67.893   27.333   11.133   13.314   11.133   13.314   0.0000   0.0000   67.893   27.333  ?   ?       ?      ? 
1 1 1   11   14   51 o   66.677   17.390   11.762   7.2916   14.388   9.4585   7.9160   11.448   71.552   23.995   61.802   25.177 9.749886 34.77964 
1 1 1   11   14   52 f   43.430   14.042  -6.9779   7.0309   3.3729   9.4040 -20.0974   10.587   51.786   22.074   35.075   17.362 16.71071 28.08373 
1 1 1   11   14   53 o   67.219   16.406   11.424   5.5808   8.8672   6.4228   19.303   11.275   57.033   19.758   77.405   26.196 -20.37160 32.81226 
1 1 1   11   14   54 o   71.890   16.170   15.822   6.0060   17.170   6.9489   11.842   11.941   78.239   19.157   65.541   26.055 12.69750 32.33978 
1 1 1   11   14   55 o   34.485   15.972  -3.1872   6.1063  -3.1872   6.1063   0.0000   0.0000   34.485   15.972  ?   ?       ?      ? 
1 1 1   11   14   56 o   44.816   13.697   2.7106   4.8912   2.5190   5.8200   3.1715   9.0254   41.514   17.515   48.119   21.064 -6.605011 27.39467 
1 1 1   11   14   57 o   56.833   15.276   9.6133   5.2022   9.9017   5.8776   8.5702   11.178   57.518   18.902   56.148   24.003 1.369793 30.55231 
1 1 1   11   14   58 o   57.941   15.026   5.6103   4.6796   1.4945   5.2263   22.253   10.509   37.800   16.291   78.082   25.253 -40.28258 30.05146 
1 1 1   11   14   59 o   57.607   16.017   9.3750   5.6746   6.6480   6.5969   17.134   11.127   49.014   19.403   66.200   25.490 -17.18568 32.03449 
1 1 1   11   14   60 o   45.771   18.541   5.5878   6.1672   5.5878   6.1672   0.0000   0.0000   45.771   18.541  ?   ?       ?      ? 
1 1 1   11   15    0 o  112.796   10.477   31.394   7.4372   31.394   7.4372   31.394   7.4372  112.796   14.817  112.796   14.817 -0.000000 0.000000 
1 1 1   11   15    1 o  487.494   27.921  602.558   63.539  571.534   89.852  633.591   89.863  473.878   40.571  501.111   38.371 -27.23331 55.84255 
1 1 1   11   15    2 o  220.630   18.347  127.211   16.904  144.171   20.757   93.817   29.127  246.223   18.038  195.036   31.955 51.18748 36.69459 
1 1 1   11   15    3 o  169.999   13.440   65.609   10.259   80.722   17.717   57.986   12.583  183.734   20.633  156.263   17.230 27.47086 26.88084 
1 1 1   11   15    4 o  264.450   15.547  169.104   18.940  136.693   26.713  201.866   26.857  238.102   24.006  290.797   19.762 -52.69548 31.09342 
1 1 1   11   15    5 o  414.362   33.430  475.690   57.874  524.822   70.895  377.548  100.198  460.134   32.968  368.590   58.167 91.54404 66.85982 
1 1 1   11   15    6 o  212.030   13.757  108.297   13.444   88.399   19.068  127.968   18.959  192.052   21.244  232.008   17.485 -39.95592 27.51448 
1 1 1   11   15    7 o  202.081   12.057   97.344   11.332   86.672   16.050  107.951   16.001  190.810   17.998  213.352   16.047 -22.54208 24.11320 
1 1 1   11   15    8 o  121.957   9.7924   35.289   5.5571   32.040   7.9438   38.402   7.7768  116.362   14.607  127.553   13.046 -11.19147 19.58490 
1 1 1   11   15    9 o  242.856   18.667  148.914   19.427  129.061   33.799  158.709   23.741  228.134   31.700  257.579   19.721 -29.44455 37.33434 
1 1 1   11   15   10 o  357.815   23.351  309.507   39.049   0.0000   0.0000  309.507   39.049  ?   ?   357.815   23.351      ?      ? 
1 1 1   11   15   11 o  289.800   15.452  208.072   20.099  178.035   31.793  228.068   25.940  270.451   25.154  309.149   17.954 -38.69775 30.90415 
1 1 1   11   15   12 o  180.114   11.182   75.982   9.2460   83.030   14.760   71.430   11.861  186.666   16.920  173.562   14.623 13.10422 22.36306 
1 1 1   11   15   13 o   66.885   10.368   10.677   2.9643   11.894   5.3527   10.139   3.5601   69.291   16.721   64.479   12.262 4.812012 20.73531 
1 1 1   11   15   14 o  340.641   17.136  288.840   26.326  257.578   41.701  309.555   33.945  322.828   27.639  358.454   20.263 -35.62579 34.27129 
1 1 1   11   15   15 o  455.355   24.740  536.552   51.029  499.804   80.732  561.001   65.852  436.721   39.555  473.989   29.727 -37.26813 49.48033 
1 1 1   11   15   16 o  203.520   14.366   98.352   13.664   0.0000   0.0000   98.352   13.664  ?   ?   203.520   14.366      ?      ? 
1 1 1   11   15   17 o  205.914   16.567  101.227   15.944   0.0000   0.0000  101.227   15.944  ?   ?   205.914   16.567      ?      ? 
1 1 1   11   15   18 o  140.470   11.359   46.588   7.4569   0.0000   0.0000   46.588   7.4569  ?   ?   140.470   11.359      ?      ? 
1 1 1   11   15   19 o  193.605   16.264   89.561   13.728   96.910   24.617   86.244   16.539  197.850   26.623  189.359   18.688 8.490967 32.52781 
1 1 1   11   15   20 o  248.274   19.251  148.737   21.134  168.179   37.177  139.454   25.689  257.736   30.864  238.812   23.017 18.92354 38.50162 
1 1 1   11   15   21 o   73.754   13.880   13.612   4.8529   13.658   6.5390   13.555   7.2407   73.878   18.871   73.631   20.359 0.2471695 27.75979 
1 1 1   11   15   22 o  134.107   9.8322   42.176   6.1180   48.880   9.3219   37.104   8.1087  143.332   13.916  124.882   13.893 18.44986 19.66430 
1 1 1   11   15   23 o  149.090   11.426   53.299   7.9222   60.299   11.366   46.686   11.048  158.804   15.315  139.375   16.961 19.42854 22.85216 
1 1 1   11   15   24 o  182.596   10.602   76.132   8.8379  101.656   14.350   60.535   11.218  206.155   14.894  159.036   15.093 47.11894 21.20448 
1 1 1   11   15   25 o  251.150   13.128  152.764   15.098  150.932   19.462  155.532   23.925  250.203   16.644  252.097   20.307 -1.893738 26.25626 
1 1 1   11   15   26 o  147.133   12.113   50.640   7.4234   48.592   8.6426   56.402   14.496  142.744   12.955  151.522   20.471 -8.777496 24.22590 
1 1 1   11   15   27 o  316.544   21.780  256.217   27.731  251.107   31.982  271.699   55.668  318.861   21.462  314.228   37.907 4.633698 43.56086 
1 1 1   11   15   28 o   96.520   9.6490   21.800   4.2949   19.651   5.5512   25.005   6.7791   90.797   13.082  102.244   14.187 -11.44695 19.29794 
1 1 1   11   15   29 o   65.204   10.851   10.090   3.2651   7.0918   4.2258   14.532   5.1431   53.779   15.782   76.630   14.898 -22.85033 21.70284 
1 1 1   11   15   30 o   78.932   12.484   10.562   3.4851   8.1056   3.7549   25.839   9.3631   57.056   14.151  100.807   20.571 -43.75040 24.96775 
1 1 1   11   15   31 o  140.170   13.913   47.402   8.7190   44.959   10.749   52.099   14.907  135.963   16.917  144.378   22.093 -8.414688 27.82570 
1 1 1   11   15   32 o   86.695   19.300   19.204   7.6188   19.204   7.6188   0.0000   0.0000   86.695   19.300  ?   ?       ?      ? 
1 1 1   11   15   33 o   63.108   13.215   10.889   4.5311   1.1632   8.8522   14.342   5.2744   50.474   21.463   75.741   15.424 -25.26613 26.43094 
1 1 1   11   15   34 o   57.250   15.852   5.0498   6.1054   2.7279   7.8744   8.5494   9.6676   50.485   20.759   64.015   23.961 -13.53025 31.70318 
1 1 1   11   15   35 o  209.417   14.152  108.630   13.843  105.928   19.711  111.260   19.445  206.609   20.414  212.226   19.605 -5.617355 28.30323 
1 1 1   11   15   36 o  239.917   19.369  147.663   20.422  144.796   24.966  153.460   35.501  240.464   22.215  239.369   31.734 1.094498 38.73746 
1 1 1   11   15   37 o  121.511   15.509   38.881   8.0592   41.879   10.025   33.403   13.550  131.214   16.348  111.808   26.361 19.40576 31.01894 
1 1 1   11   15   38 o   47.914   13.421   3.5960   3.6324   3.5455   3.9972   3.8355   8.7026   42.046   15.470   53.782   21.935 -11.73545 26.84190 
1 1 1   11   15   39 o  118.099   13.648   34.344   6.1729   33.623   7.0371   36.750   12.857  118.300   12.728  117.898   24.146 0.4018173 27.29564 
1 1 1   11   15   40 o  188.658   11.597   73.986   9.1786   59.395   10.522  120.438   18.774  156.616   14.375  220.701   18.202 -64.08519 23.19374 
1 1 1   11   15   41 o  170.925   13.440   68.273   10.129   59.381   12.150   88.526   18.337  155.174   16.754  186.676   21.019 -31.50212 26.87909 
1 1 1   11   15   42 o  124.063   12.885   35.298   6.8711   22.741   8.4908   59.125   11.696   93.267   20.074  154.860   16.160 -61.59312 25.77080 
1 1 1   11   15   43 o   71.478   11.312   7.2954   4.0051   0.7153   4.6019   27.844   8.1322   36.915   15.575  106.041   16.409 -69.12653 22.62407 
1 1 1   11   15   44 o  120.052   13.329   35.091   7.1773   31.767   8.8231   41.594   12.340  112.957   16.713  127.146   20.767 -14.18922 26.65732 
1 1 1   11   15   45 o  110.283   14.459   33.899   6.9886   21.361   10.563   43.660   9.3203   87.563   24.726  133.004   14.994 -45.44131 28.91704 
1 1 1   11   15   46 o   45.427   13.026   2.4996   3.9636   1.4633   4.6960   5.0664   7.3908   38.565   15.962   52.289   20.589 -13.72375 26.05157 
1 1 1   11   15   47 o   52.778   12.581   3.2641   4.0297  -1.8565   4.8937   14.050   7.1023   33.244   14.970   72.311   20.225 -39.06763 25.16223 
1 1 1   11   15   48 o  168.922   20.007   83.154   15.075   62.429   20.516  107.481   22.227  140.780   31.917  197.063   24.134 -56.28255 40.01461 
1 1 1   11   15   49 o   69.783   16.822   13.087   6.1074   12.696   7.1261   14.171   11.853   68.024   20.624   71.542   26.580 -3.518417 33.64329 
1 1 1   11   15   50 o   88.537   17.456   23.299   7.5059   25.217   9.6020   20.287   12.035   94.864   22.073   82.211   27.050 12.65306 34.91298 
1 1 1   11   15   51 o   53.160   16.000   3.9665   6.9270   5.2415   8.8972   2.0043   11.038   53.555   22.049   52.764   23.190 0.7909279 31.99948 
1 1 1   11   15   52 o   65.873   16.306   12.499   5.7695   12.600   6.6226   12.181   11.751   66.371   19.828   65.375   25.891 0.9968262 32.61182 
1 1 1   11   15   53 o  105.439   18.510   33.578   8.9990   26.974   11.564   43.718   14.329   92.638   25.770  118.241   26.577 -25.60321 37.01974 
1 1 1   11   15   54 o   46.398   17.766   5.0157   5.3863   5.0157   5.3863   0.0000   0.0000   46.398   17.766  ?   ?       ?      ? 
1 1 1   11   15   55 o   53.162   14.995   6.8655   4.8700   6.3106   5.4760   8.9645   10.650   48.922   18.088   57.402   23.921 -8.480087 29.99002 
1 1 1   11   15   56 o   54.148   14.751   8.0175   4.7807   7.5093   5.4899   9.6118   9.7243   51.406   18.232   56.891   23.193 -5.484921 29.50178 
1 1 1   11   15   57 o   74.785   16.510   19.489   6.2017   19.827   7.1334   18.442   12.551   80.920   19.159   68.650   26.892 12.26994 33.01918 
1 1 1   11   15   58 o   52.996   19.520   8.5469   6.3663   8.5469   6.3663   0.0000   0.0000   52.996   19.520  ?   ?       ?      ? 
1 1 1   11   15   59 o   48.961   19.436   7.0859   6.6357   7.0859   6.6357   0.0000   0.0000   48.961   19.436  ?   ?       ?      ? 
1 1 1   11   16    0 o  121.252   10.355   36.055   7.9775   36.055   7.9775   36.055   7.9775  121.252   14.645  121.252   14.645 -0.000000 0.000000 
1 1 1   11   16    1 o  169.336   11.436   68.193   9.0455   70.239   12.740   66.114   12.845  171.954   15.854  166.719   16.486 5.234970 22.87160 
1 1 1   11   16    2 o  182.567   11.943   79.402   10.182   82.833   14.385   75.958   14.414  186.600   16.496  178.535   17.275 8.064606 23.88575 
1 1 1   11   16    3 o   58.751   11.304   8.5882   3.3227   11.419   4.4893   5.1587   4.9411   68.164   14.536   49.339   17.317 18.82573 22.60883 
1 1 1   11   16    4 o  142.466   14.626   51.802   8.5313   55.691   10.345   43.533   15.084  153.296   14.440  131.636   25.439 21.65924 29.25111 
1 1 1   11   16    5 o  333.957   18.119  272.885   28.204  294.954   39.883  250.809   39.889  348.100   24.515  319.813   26.688 28.28699 36.23875 
1 1 1   11   16    6 o  281.727   20.003  192.024   25.016  208.885   43.320  183.588   30.642  288.638   32.114  274.815   23.858 13.82211 40.00645 
1 1 1   11   16    7 o  264.508   14.848  169.560   17.912  164.650   28.362  172.817   23.101  260.353   23.309  268.663   18.399 -8.310486 29.69563 
1 1 1   11   16    8 o  203.275   16.631  104.204   14.479   90.347   25.224  111.015   17.682  191.043   28.251  215.508   17.556 -24.46512 33.26142 
1 1 1   11   16    9 o  194.515   18.208  105.444   13.721   66.551   23.733  124.971   16.816  159.912   32.855  229.118   15.705 -69.20605 36.41514 
1 1 1   11   16   10 o  194.297   13.049   85.142   11.309  109.136   19.933   73.755   13.732  212.827   20.041  175.767   16.717 37.05936 26.09768 
1 1 1   11   16   11 o  319.480   24.002  266.389   33.015  239.883   57.198  279.633   40.430  301.586   40.581  337.373   25.642 -35.78662 48.00340 
1 1 1   11   16   12 o  171.811   12.495   69.822   10.033   0.0000   0.0000   69.822   10.033  ?   ?   171.811   12.495      ?      ? 
1 1 1   11   16   13 o  197.193   18.840   93.413   17.363   0.0000   0.0000   93.413   17.363  ?   ?   197.193   18.840      ?      ? 
1 1 1   11   16   14 f  237.798   20.265  136.490   22.522   0.0000   0.0000  136.490   22.522  ?   ?   237.798   20.265      ?      ? 
1 1 1   11   16   15 o  172.697   15.789   71.123   12.744   0.0000   0.0000   71.123   12.744  ?   ?   172.697   15.789      ?      ? 
1 1 1   11   16   16 o  264.620   23.341  171.246   28.866   0.0000   0.0000  171.246   28.866  ?   ?   264.620   23.341      ?      ? 
1 1 1   11   16   17 o  167.652   15.919   67.150   12.473   0.0000   0.0000   67.150   12.473  ?   ?   167.652   15.919      ?      ? 
1 1 1   11   16   18 o  282.249   16.420  195.267   21.658  197.023   30.815  193.552   30.447  283.481   23.260  281.016   23.183 2.464844 32.83981 
1 1 1   11   16   19 o  250.140   19.144  158.822   20.900  164.416   25.729  147.971   35.836  259.844   21.187  240.436   31.891 19.40742 38.28764 
1 1 1   11   16   20 o  404.155   21.914  413.121   40.689  442.467   64.434  393.657   52.475  413.198   33.367  395.113   28.417 18.08447 43.82790 
1 1 1   11   16   21 o  216.424   14.024  116.049   13.664  104.906   21.847  123.210   17.513  206.435   22.644  226.413   16.550 -19.97812 28.04783 
1 1 1   11   16   22 o  241.670   13.637  142.536   15.289  162.941   21.755  122.618   21.493  259.461   17.941  223.879   20.542 35.58234 27.27322 
1 1 1   11   16   23 o  108.532   15.907   33.321   7.3395   39.155   8.8541   20.506   13.122  127.793   14.825   89.270   28.149 38.52285 31.81463 
1 1 1   11   16   24 o  171.050   15.708   73.543   11.631   75.460   14.173   69.588   20.356  176.497   17.182  165.604   26.302 10.89253 31.41682 
1 1 1   11   16   25 o  221.042   10.728  115.807   10.914  108.871   14.084  126.231   17.266  213.270   14.130  228.815   16.146 -15.54588 21.45625 
1 1 1   11   16   26 o  204.101   14.233   93.598   11.958   85.171   13.702  120.525   24.493  188.268   15.573  219.934   23.829 -31.66600 28.46602 
1 1 1   11   16   27 o   63.649   11.669   10.583   3.5360   12.588   4.4740   7.2458   5.7717   71.416   13.905   55.882   18.744 15.53348 23.33838 
1 1 1   11   16   28 o  195.534   11.589   92.493   10.588   95.130   15.012   89.884   14.935  198.386   16.192  192.681   16.585 5.704727 23.17822 
1 1 1   11   16   29 o  120.339   13.677   37.961   6.0389   39.453   6.8701   32.889   12.665  128.744   11.418  111.933   24.858 16.81126 27.35482 
1 1 1   11   16   30 o   83.208   11.481   16.503   4.4646   16.503   4.4646   0.0000   0.0000   83.208   11.481  ?   ?       ?      ? 
1 1 1   11   16   31 o   61.629   14.636   4.9041   5.2955  -1.1129   6.4002   17.964   9.4293   40.243   17.674   83.016   23.334 -42.77251 29.27143 
1 1 1   11   16   32 o  131.102   14.667   45.190   7.9226   38.020   13.856   48.673   9.6570  120.083   25.478  142.120   14.539 -22.03696 29.33458 
1 1 1   11   16   33 o  165.985   13.284   64.651   9.8217   78.271   17.233   58.099   11.953  177.407   20.785  154.564   16.548 22.84311 26.56744 
1 1 1   11   16   34 o  146.438   17.330   59.000   10.330   65.719   12.593   45.178   18.061  164.502   16.380  128.374   30.546 36.12749 34.66088 
1 1 1   11   16   35 o  227.045   17.292  128.724   17.416  123.558   21.362  138.965   30.077  223.127   20.486  230.962   27.865 -7.834915 34.58492 
1 1 1   11   16   36 o  160.053   13.788   65.978   8.5678   68.092   9.8400   59.349   17.422  168.449   12.499  151.658   24.580 16.79008 27.57525 
1 1 1   11   16   37 o  213.827   11.945  109.557   11.777   95.406   15.219  130.682   18.594  197.278   16.507  230.377   17.270 -33.09900 23.89012 
1 1 1   11   16   38 o   46.267   12.703   3.0854   3.9392   5.9407   6.1775   1.1287   5.1138   52.823   19.263   39.712   16.565 13.11096 25.40545 
1 1 1   11   16   39 o   55.603   15.914   1.8753   7.0960  -7.4348   10.209   10.576   9.8698   43.988   20.469   67.218   24.373 -23.22933 31.82783 
1 1 1   11   16   40 o   84.051   12.046   17.721   4.7406   8.4395   6.3995   29.007   7.0570   58.802   19.737  109.299   13.815 -50.49701 24.09170 
1 1 1   11   16   41 o  151.016   14.009   58.041   9.3354   58.644   11.538   56.899   15.884  154.204   16.011  147.827   22.992 6.376526 28.01724 
1 1 1   11   16   42 o  174.803   13.854   76.825   9.9238   76.018   11.562   79.081   19.337  176.486   14.018  173.119   23.901 3.366333 27.70834 
1 1 1   11   16   43 o   97.363   14.121   23.364   6.0010   19.106   7.3888   31.615   10.286   85.356   19.010  109.370   20.885 -24.01421 28.24104 
1 1 1   11   16   44 o   32.729   10.504  -2.8609   3.3995  -4.4835   4.3231  -0.2322   5.5026   27.387   12.926   38.070   16.561 -10.68327 21.00768 
1 1 1   11   16   45 o   76.686   16.282   17.245   7.0717   23.252   8.5517   4.2518   12.577   93.366   20.186   60.006   25.552 33.36013 32.56332 
1 1 1   11   16   46 o   92.434   17.224   21.346   7.3041   15.019   8.8301   35.057   12.998   73.932   23.057  110.935   25.592 -37.00321 34.44707 
1 1 1   11   16   47 o   61.600   13.581   8.9684   4.4088   5.1945   5.5817   15.229   7.1892   48.674   18.209   74.526   20.155 -25.85184 27.16277 
1 1 1   11   16   48 o   43.201   13.984  -2.9154   5.7390  -3.5029   6.8067  -1.4711   10.673   37.256   17.113   49.146   22.122 -11.89048 27.96839 
1 1 1   11   16   49 o   57.864   15.984   7.6097   6.0886   8.9181   7.2457   4.4660   11.231   58.995   20.944   56.732   24.152 2.263149 31.96771 
1 1 1   11   16   50 o   48.511   14.488   0.4873   6.4737   8.5176   8.2285 -12.5571   10.487   58.131   22.030   38.892   18.821 19.23867 28.97556 
1 1 1   11   16   51 o   50.168   14.431   4.3693   5.2924   8.2100   8.2867   1.7236   6.8779   56.780   21.959   43.556   18.730 13.22408 28.86175 
1 1 1   11   16   52 o   80.971   13.830   18.857   5.0874   20.063   6.4005   16.790   8.3837   86.607   16.414   75.334   22.264 11.27236 27.66052 
1 1 1   11   16   53 o   47.221   14.338   1.8671   4.6769   0.0576   5.2474   8.8586   10.315   36.247   15.959   58.195   23.824 -21.94849 28.67564 
1 1 1   11   16   54 o   68.799   15.759   11.243   4.9737   7.6452   5.5735   25.314   11.021   52.245   18.388   85.353   25.598 -33.10712 31.51744 
1 1 1   11   16   55 o   49.182   14.084   3.5871   4.3773   0.8845   4.9770   12.818   9.1983   36.225   15.754   62.139   23.350 -25.91348 28.16756 
1 1 1   11   16   56 o   40.058   12.224   1.6729   4.3313   4.5117   4.9878  -7.0326   8.7344   43.459   16.973   36.657   17.597 6.801586 24.44832 
1 1 1   11   16   57 o   47.217   14.027   4.8444   4.8508   3.6665   5.7769   7.6607   8.9324   42.368   17.633   52.066   21.819 -9.697937 28.05364 
1 1 1   11   16   58 f   26.617   12.966  -6.9030   5.1975  -6.9030   5.1975   0.0000   0.0000   26.617   12.966  ?   ?       ?      ? 
1 1 1   11   17    0 o  108.067   10.430   28.985   7.0565   28.985   7.0565   28.985   7.0565  108.067   14.750  108.067   14.750 -0.000000 0.000000 
1 1 1   11   17    1 f  251.173   15.137  154.017   17.492  123.706   24.701  184.508   24.775  225.288   23.461  277.059   19.134 -51.77040 30.27374 
1 1 1   11   17    2 o   97.931   13.215   25.002   5.4849   19.122   9.4220   28.015   6.7457   87.114   22.857  108.748   13.273 -21.63364 26.43080 
1 1 1   11   17    3 o  214.600   13.183  110.562   13.209  104.414   18.586  116.836   18.776  208.437   19.079  220.763   18.198 -12.32628 26.36668 
1 1 1   11   17    4 o  118.489   11.982   31.694   6.2759   28.249   7.5611   39.326   11.253  109.013   14.841  127.965   18.816 -18.95272 23.96446 
1 1 1   11   17    5 o  183.001   12.300   86.545   9.6546   57.829   15.261  105.709   12.467  154.629   21.117  211.373   12.620 -56.74460 24.60081 
1 1 1   11   17    6 o  317.388   21.503  243.784   30.473  283.120   52.772  224.105   37.326  333.323   33.876  301.453   26.494 31.87024 43.00579 
1 1 1   11   17    7 o  259.048   17.470  153.811   20.326  205.589   35.237  127.989   24.884  288.915   26.096  229.180   23.233 59.73520 34.93971 
1 1 1   11   17    8 o  178.792   16.542   76.333   13.822   0.0000   0.0000   76.333   13.822  ?   ?   178.792   16.542      ?      ? 
1 1 1   11   17    9 o  112.391   13.948   29.983   7.3265   0.0000   0.0000   29.983   7.3265  ?   ?   112.391   13.948      ?      ? 
1 1 1   11   17   10 o  120.930   13.276   34.672   7.5030   0.0000   0.0000   34.672   7.5030  ?   ?   120.930   13.276      ?      ? 
1 1 1   11   17   11 o  317.019   39.246  265.532   58.147   0.0000   0.0000  265.532   58.147  ?   ?   317.019   39.246      ?      ? 
1 1 1   11   17   13 o  170.712   22.635   71.204   18.059   0.0000   0.0000   71.204   18.059  ?   ?   170.712   22.635      ?      ? 
1 1 1   11   17   14 o  117.850   14.406   35.639   7.0133   30.648   12.495   37.934   8.4742  109.468   24.975  126.232   14.364 -16.76436 28.81110 
1 1 1   11   17   15 o  329.168   24.697  276.628   35.933  299.095   62.393  265.478   43.954  333.738   40.003  324.599   28.974 9.139221 49.39333 
1 1 1   11   17   16 o  112.525   21.622   31.829   10.958   31.829   10.958   0.0000   0.0000  112.525   21.622  ?   ?       ?      ? 
1 1 1   11   17   17 o  228.207   17.612  132.917   17.312  118.562   30.016  140.073   21.192  215.842   29.756  240.571   18.849 -24.72958 35.22368 
1 1 1   11   17   18 o  107.618   14.501   31.656   6.5053   21.393   11.329   36.705   7.9458   91.136   25.562  124.099   13.700 -32.96280 29.00233 
1 1 1   11   17   19 o  168.392   14.077   70.765   10.242   64.733   17.850   73.726   12.505  161.439   23.659  175.344   15.260 -13.90576 28.15328 
1 1 1   11   17   20 o  199.708   13.088   97.338   12.151   86.870   17.274  107.591   17.096  188.566   19.601  210.850   17.349 -22.28392 26.17644 
1 1 1   11   17   21 o  144.569   13.646   49.072   8.8588   44.253   10.893   58.482   15.223  135.148   17.247  153.989   21.153 -18.84108 27.29266 
1 1 1   11   17   22 o  166.467   11.546   67.138   8.9395   63.367   13.047   70.474   12.273  161.733   17.262  171.201   15.339 -9.467865 23.09218 
1 1 1   11   17   23 o  200.381   12.577   97.226   11.741  107.897   16.896   87.261   16.327  211.272   17.112  189.490   18.436 21.78165 25.15386 
1 1 1   11   17   24 o  207.456   10.096   99.875   9.5995  119.159   15.551   88.004   12.202  222.920   14.927  191.991   13.599 30.92880 20.19259 
1 1 1   11   17   25 o  208.033   13.335  105.688   12.956  102.318   18.439  108.974   18.207  204.551   19.288  211.514   18.419 -6.962830 26.67008 
1 1 1   11   17   26 o  145.550   9.1360   50.828   6.1408   60.621   8.7906   41.494   8.5820  159.570   11.788  131.529   13.961 28.04137 18.27191 
1 1 1   11   17   27 o  191.571   12.553   88.424   9.8553   87.019   11.440   92.468   19.406  190.682   12.838  192.460   21.575 -1.777771 25.10550 
1 1 1   11   17   28 o  178.553   14.749   80.263   10.648   81.247   12.381   77.470   20.864  183.572   14.432  173.534   25.726 10.03857 29.49701 
1 1 1   11   17   29 o   87.205   13.512   19.936   5.4610   24.785   7.2698   13.655   8.2731  101.214   15.369   73.196   22.229 28.01851 27.02449 
1 1 1   11   17   30 o  231.416   16.025  125.478   16.618  103.856   20.277  169.708   29.002  204.115   21.257  258.717   23.986 -54.60277 32.04970 
1 1 1   11   17   31 o  168.185   18.985   87.699   12.162   42.823   20.946  110.525   14.939  122.410   34.908  213.959   14.940 -91.54865 37.97005 
1 1 1   11   17   32 o   93.737   17.914   23.353   8.0289   24.676   10.748   21.682   12.077   96.997   23.872   90.477   26.716 6.519600 35.82787 
1 1 1   11   17   33 o  167.333   13.877   70.105   8.8934   70.953   10.096   67.168   18.790  172.275   12.539  162.391   24.759 9.883972 27.75307 
1 1 1   11   17   34 o  160.509   15.143   63.084   10.784   59.399   13.172   70.576   18.783  155.202   18.159  165.815   24.238 -10.61281 30.28611 
1 1 1   11   17   35 o  117.473   9.5944   32.328   5.1853   27.549   6.6646   39.659   8.2539  106.863   13.344  128.083   13.789 -21.21912 19.18871 
1 1 1   11   17   36 o  232.914   15.698  137.759   16.983  154.762   24.104  120.996   23.932  248.355   20.767  217.473   23.547 30.88239 31.39625 
1 1 1   11   17   37 o   79.617   12.297   16.203   4.4543   14.192   6.3238   18.184   6.2750   74.319   18.323   84.914   16.406 -10.59545 24.59450 
1 1 1   11   17   38 o  152.398   10.854   56.970   7.7089   53.709   11.083   60.027   10.730  147.847   16.040  156.949   14.628 -9.102188 21.70844 
1 1 1   11   17   39 o   66.070   13.399   10.573   4.4385   6.8864   5.7771   15.884   6.9342   54.118   18.739   78.022   19.157 -23.90303 26.79865 
1 1 1   11   17   40 o  163.807   14.143   68.461   9.5508   68.816   11.214   67.523   18.225  167.848   14.296  159.766   24.408 8.082367 28.28643 
1 1 1   11   17   41 o  139.440   11.408   46.044   6.8682   42.775   8.1542   54.026   12.742  132.645   13.154  146.235   18.644 -13.58949 22.81698 
1 1 1   11   17   42 o   92.950   15.872   23.533   6.9058   18.254   9.6995   28.959   9.8345   81.478   23.910  104.422   20.882 -22.94428 31.74474 
1 1 1   11   17   43 o   58.005   12.774   8.1984   3.7849   6.4811   4.8359   10.914   6.0808   51.486   17.156   64.523   18.931 -13.03692 25.54838 
1 1 1   11   17   44 o   52.700   12.943   5.9520   3.8532   3.7963   4.8416   9.6763   6.3638   44.236   16.866   61.164   19.637 -16.92789 25.88637 
1 1 1   11   17   45 o  100.875   11.280   24.599   5.0843   20.240   6.3836   32.162   8.4081   88.648   15.997  113.102   15.907 -24.45425 22.55938 
1 1 1   11   17   46 o   85.931   12.683   18.121   5.0599   10.374   6.4516   30.501   8.1560   62.224   19.751  109.637   15.918 -47.41228 25.36657 
1 1 1   11   17   47 o   67.364   14.382   12.264   4.8736   11.423   6.4607   13.374   7.4239   65.032   19.620   69.697   21.033 -4.665009 28.76316 
1 1 1   11   17   48 o   45.976   13.985   1.9617   4.2967   1.7473   4.7230   2.9913   10.350   38.740   16.019   53.212   22.929 -14.47196 27.97033 
1 1 1   11   17   49 o   60.465   17.431   8.7094   7.7540   6.5431   12.409   10.097   9.9316   59.119   25.282   61.810   24.002 -2.690922 34.86129 
1 1 1   11   17   50 o   62.334   17.029   10.240   6.8338   8.4840   8.5814   13.284   11.299   57.624   22.329   67.043   25.717 -9.418976 34.05833 
1 1 1   11   17   51 o   75.117   15.332   16.798   5.7409   14.405   8.6292   18.699   7.6895   69.553   22.905   80.681   20.385 -11.12847 30.66301 
1 1 1   11   17   52 o   32.927   10.998  -7.7871   4.2264 -12.7279   5.2563   1.2494   7.1086   23.316   11.653   42.537   18.655 -19.22121 21.99560 
1 1 1   11   17   53 o   95.498   13.733   27.350   5.7298   28.999   7.1409   24.369   9.6011  104.498   14.622   86.497   23.250 18.00038 27.46567 
1 1 1   11   17   54 o   40.814   13.195  -1.3423   5.7312  -4.9230   8.1955   2.0849   8.0178   37.265   17.650   44.363   19.620 -7.097317 26.39062 
1 1 1   11   17   55 o   65.431   14.275   14.039   4.9748   16.156   6.2233   10.291   8.2801   73.619   18.193   57.242   22.002 16.37639 28.54917 
1 1 1   11   17   56 o   45.977   13.044   4.8004   4.7211   8.9609   6.0657  -1.5928   7.5193   53.726   19.153   38.228   17.712 15.49771 26.08727 
1 1 1   11   18    0 o   56.354   17.901   10.971   7.1259   10.971   7.1259   10.971   7.1259   56.354   25.316   56.354   25.316 -0.000000 0.000000 
1 1 1   11   18    1 o  176.099   18.275   78.919   14.125   56.137   19.921  101.952   20.031  147.163   29.983  205.035   20.905 -57.87206 36.55100 
1 1 1   11   18    2 f  129.903   15.637   42.430   9.0257   54.995   12.837   30.145   12.693  151.259   18.159  108.547   25.462 42.71207 31.27347 
1 1 1   11   18    3 o  244.097   30.469  150.521   34.759  150.521   34.759   0.0000   0.0000  244.097   30.469  ?   ?       ?      ? 
1 1 1   11   18    4 o  281.682   24.464  204.886   32.201  209.425   45.708  200.415   45.371  284.994   34.318  278.370   34.875 6.624908 48.92815 
1 1 1   11   18    5 f  243.951   20.162  150.505   22.418  188.400   31.946  113.735   31.468  276.570   24.715  211.332   31.861 65.23824 40.32348 
1 1 1   11   18    6 o  204.852   19.641  105.600   18.567   88.204   26.400  122.625   26.118  186.801   30.240  222.903   25.072 -36.10159 39.28199 
1 1 1   11   18    7 o  144.410   20.549   50.591   13.868   0.0000   0.0000   50.591   13.868  ?   ?   144.410   20.549      ?      ? 
1 1 1   11   18    8 o  136.081   21.168   45.042   13.462   45.042   13.462   0.0000   0.0000  136.081   21.168  ?   ?       ?      ? 
1 1 1   11   18    9 o  238.305   29.976  143.750   33.385  143.750   33.385   0.0000   0.0000  238.305   29.976  ?   ?       ?      ? 
1 1 1   11   18   10 o  197.977   25.936   97.396   23.997   97.396   23.997   0.0000   0.0000  197.977   25.936  ?   ?       ?      ? 
1 1 1   11   18   11 o  126.183   20.716   38.747   12.217   38.747   12.217   0.0000   0.0000  126.183   20.716  ?   ?       ?      ? 
1 1 1   11   18   12 o  207.355   26.801  107.641   25.972  107.641   25.972   0.0000   0.0000  207.355   26.801  ?   ?       ?      ? 
1 1 1   11   18   13 o  218.337   28.061  120.456   28.634   0.0000   0.0000  120.456   28.634  ?   ?   218.337   28.061      ?      ? 
1 1 1   11   18   14 o  230.108   20.872  135.329   22.432  129.630   31.569  141.140   31.881  224.862   30.040  235.353   28.985 -10.49091 41.74398 
1 1 1   11   18   15 o  266.903   24.045  188.187   29.947  176.735   42.222  199.779   42.481  257.771   35.048  276.034   32.930 -18.26254 48.09087 
1 1 1   11   18   16 o  130.221   12.658   39.189   7.3406   47.562   12.898   35.177   8.9275  139.503   19.783  120.939   15.795 18.56435 25.31508 
1 1 1   11   18   17 o   78.324   14.568   15.632   5.4024   15.206   7.8381   16.018   7.4565   77.288   21.105   79.361   20.086 -2.073105 29.13589 
1 1 1   11   18   18 f  165.323   12.680   65.144   9.7967   0.0000   0.0000   65.144   9.7967  ?   ?   165.323   12.680      ?      ? 
1 1 1   11   18   19 o  188.667   18.481  105.184   12.153   65.728   24.226  118.453   14.049  154.639   34.408  222.695   13.499 -68.05609 36.96130 
1 1 1   11   18   20 o   52.199   9.9474   7.4713   3.0746  -4.1701   6.3424   11.047   3.5152   36.124   16.566   68.274   11.017 -32.14995 19.89483 
1 1 1   11   18   21 o  186.116   17.085   94.781   11.566   73.206   23.333  101.808   13.317  165.800   31.259  206.432   13.803 -40.63225 34.17067 
1 1 1   11   18   22 o  220.506   17.028  123.579   16.293  116.243   28.300  127.216   19.927  212.578   28.486  228.435   18.665 -15.85722 34.05648 
1 1 1   11   18   23 o  201.876   16.613  106.190   14.359   90.577   24.744  114.119   17.632  187.114   28.296  216.638   17.415 -29.52415 33.22540 
1 1 1   11   18   24 o  122.454   15.626   37.741   8.7422   41.754   12.938   34.369   11.859  129.507   21.376  115.401   22.798 14.10582 31.25147 
1 1 1   11   18   25 o  138.661   13.402   45.960   8.4984   40.935   10.756   54.307   13.863  129.298   17.801  148.025   20.040 -18.72771 26.80395 
1 1 1   11   18   26 o  157.305   14.164   62.957   9.8074   67.059   12.280   55.730   16.298  166.280   15.802  148.331   23.510 17.94905 28.32724 
1 1 1   11   18   27 o  114.969   12.318   32.184   6.1255   48.839   9.3433   19.629   8.1122  142.505   14.029   87.434   20.251 55.07106 24.63539 
1 1 1   11   18   28 o   99.471   13.957   24.977   6.2450   22.004   8.4498   28.555   9.2706   92.724   20.080  106.219   19.390 -13.49510 27.91380 
1 1 1   11   18   29 o  175.619   12.698   75.570   10.301   90.667   14.876   61.662   14.278  193.120   16.482  158.117   19.322 35.00232 25.39645 
1 1 1   11   18   30 o   69.880   13.924   13.539   5.2127   2.9148   9.4519   18.183   6.2489   54.458   22.601   85.301   16.269 -30.84305 27.84740 
1 1 1   11   18   31 o   58.258   15.875   5.8998   6.3610   9.6526   8.2616   0.4360   9.9685   64.302   22.401   52.215   22.501 12.08696 31.75076 
1 1 1   11   18   32 o   68.853   16.274   11.404   5.8376   10.805   7.0368   12.726   10.455   65.568   20.605   72.138   25.196 -6.569786 32.54835 
1 1 1   11   18   33 o  150.780   11.097   57.029   7.5122   62.655   9.7183   48.676   11.841  161.330   12.889  140.230   18.068 21.10022 22.19424 
1 1 1   11   18   34 o  168.547   10.633   68.911   8.2136   68.749   10.631   69.152   12.936  168.923   13.467  168.171   16.460 0.7515869 21.26660 
1 1 1   11   18   35 f   43.377   15.779   3.8861   4.1413   3.8861   4.1413   0.0000   0.0000   43.377   15.779  ?   ?       ?      ? 
1 1 1   11   18   36 o   83.890   27.963   18.961   12.846   18.961   12.846   0.0000   0.0000   83.890   27.963  ?   ?       ?      ? 
1 1 1   11   18   37 o  193.211   19.126   93.929   17.270   93.929   17.270   0.0000   0.0000  193.211   19.126  ?   ?       ?      ? 
1 1 1   11   18   38 o  172.824   15.140   76.902   11.566   77.239   14.308   76.266   19.646  176.060   17.389  169.588   24.788 6.472534 30.27920 
1 1 1   11   18   39 o  164.644   13.404   65.553   9.2332   61.907   10.766   75.691   17.953  158.980   14.490  170.308   22.555 -11.32732 26.80883 
1 1 1   11   18   40 o   59.471   15.165   8.3057   5.4995   5.4567   8.3486   10.490   7.3095   54.966   21.806   63.975   21.082 -9.008488 30.33091 
1 1 1   11   18   41 o  113.341   10.180   31.142   5.3517   27.108   7.0955   36.465   8.1505  104.926   14.470  121.757   14.323 -16.83092 20.36007 
1 1 1   11   18   42 o  214.251   12.181  113.995   12.002  106.161   15.450  125.917   19.058  206.167   16.035  222.336   18.341 -16.16895 24.36273 
1 1 1   11   18   43 o  107.642   11.664   29.856   5.5404   31.418   7.1665   27.536   8.7349  113.037   13.566  102.246   18.978 10.79105 23.32830 
1 1 1   11   18   44 o   95.083   14.210   22.520   6.3147   22.520   6.3147   0.0000   0.0000   95.083   14.210  ?   ?       ?      ? 
1 1 1   11   18   45 o   55.488   15.925   5.1134   5.8845   9.0150   11.141   3.6038   6.9300   63.020   25.131   47.956   19.568 15.06445 31.85086 
1 1 1   11   18   46 o   52.046   13.755   6.1594   4.5587   7.6605   5.9480   4.0222   7.0971   55.075   19.018   49.017   19.878 6.058136 27.51005 
1 1 1   11   18   47 o   58.622   15.107   8.8321   4.7626   9.5029   5.2234   5.5251   11.598   59.432   17.576   57.813   24.575 1.618927 30.21367 
1 1 1   11   18   48 o   75.213   16.114   17.701   5.6260   18.631   6.1263   12.694   14.214   83.247   16.330   67.178   27.785 16.06928 32.22808 
1 1 1   11   18   49 o   40.456   13.641  -7.8093   6.3869  -9.6654   7.6653  -3.5944   11.551   33.436   16.159   47.476   21.981 -14.04005 27.28144 
1 1 1   11   18   50 o  134.146   14.858   52.407   8.7074   38.933   12.594   64.748   12.052  112.069   24.710  156.224   16.507 -44.15563 29.71645 
1 1 1   11   18   51 o   53.432   13.288   8.0493   4.2664   10.103   5.5572   5.1019   6.6580   59.056   18.271   47.808   19.300 11.24801 26.57651 
1 1 1   11   18   52 o   72.444   13.932   15.703   5.2494   8.4317   7.1765   24.070   7.6985   54.262   20.572   90.626   18.793 -36.36410 27.86348 
1 1 1   11   18   53 o   34.634   11.579  -6.4795   4.7695   1.1418   7.7477 -11.1300   6.0522   42.612   19.039   26.657   13.183 15.95412 23.15728 
1 1 1   11   18   54 o   60.160   16.021   11.116   5.5976   9.8906   6.4888   14.679   11.067   56.650   19.846   63.671   25.154 -7.020699 32.04102 
1 1 1   11   18   55 o   57.912   13.997   11.276   6.1609  -9.5578   12.143   18.498   7.1494   40.223   19.643   75.601   19.946 -35.37844 27.99423 
1 1 1   11   19    0 o  216.544   21.176  120.066   28.654  120.066   28.654  120.066   28.654  216.544   29.947  216.544   29.947 -0.000000 0.000000 
1 1 1   11   19    1 o   55.653   13.435   6.5964   4.2797   9.6112   6.3442   4.0787   5.7976   62.918   19.531   48.388   18.455 14.52933 26.87090 
1 1 1   11   19    2 o   90.538   21.340   20.774   8.8818   0.0000   0.0000   20.774   8.8818  ?   ?    90.538   21.340      ?      ? 
1 1 1   11   19    3 o  280.026   23.483  193.428   30.732   0.0000   0.0000  193.428   30.732  ?   ?   280.026   23.483      ?      ? 
1 1 1   11   19    4 o  150.781   17.263   58.073   11.575   44.582   16.578   70.903   16.167  130.908   27.948  170.654   20.271 -39.74548 34.52523 
1 1 1   11   19    5 o  129.740   11.565   37.800   6.6669   49.159   11.877   32.574   8.0558  142.722   17.806  116.759   14.763 25.96304 23.13013 
1 1 1   11   19    6 o  154.672   18.493   76.530   10.123   35.165   20.145   90.504   11.708  114.231   34.686  195.113   12.840 -80.88206 36.98622 
1 1 1   11   19    7 o   74.502   11.390   11.133   3.4090   20.401   7.2448   8.4971   3.8635   90.478   17.767   58.526   14.257 31.95195 22.77993 
1 1 1   11   19    8 o  426.754   29.529  479.784   56.507  611.341   97.969  414.200   69.172  462.033   45.371  391.475   37.808 70.55759 59.05885 
1 1 1   11   19    9 o  148.152   12.284   51.274   7.4191   56.738   14.957   49.491   8.5443  152.073   21.046  144.232   12.676 7.841904 24.56809 
1 1 1   11   19   10 o  132.605   14.363   48.712   6.9339   34.631   13.883   53.392   8.0037  115.178   26.360  150.033   11.415 -34.85414 28.72572 
1 1 1   11   19   11 o  193.871   15.999   94.928   13.485   87.745   23.257   98.567   16.551  186.025   26.751  201.717   17.557 -15.69225 31.99771 
1 1 1   11   19   12 o  114.468   10.378   28.364   4.9456   38.479   10.056   25.137   5.6801  126.095   17.063  102.841   11.818 23.25388 20.75642 
1 1 1   11   19   13 o  127.928   15.209   46.285   7.1263   31.748   14.341   51.051   8.2119  109.351   27.954  146.504   11.994 -37.15265 30.41846 
1 1 1   11   19   14 o  175.632   17.593   86.177   12.183   58.514   21.029  100.152   14.947  147.316   31.498  203.949   15.681 -56.63225 35.18523 
1 1 1   11   19   15 o  207.365   19.321  109.489   18.724  109.795   26.494  109.184   26.465  207.670   27.298  207.060   27.349 0.6101532 38.64116 
1 1 1   11   19   16 o  174.363   17.037   75.901   13.773   64.489   19.174   88.067   19.798  160.084   25.628  188.643   22.456 -28.55925 34.07463 
1 1 1   11   19   17 o  289.062   26.976  232.707   33.459  156.248   47.076  310.758   47.564  230.479   45.320  347.646   29.275 -117.1662 53.95297 
1 1 1   11   19   18 o  105.227   14.799   27.850   7.1168   36.682   10.296   19.768   9.8485  122.919   17.923   87.536   23.556 35.38330 29.59875 
1 1 1   11   19   19 o  258.564   24.216  197.041   24.294  133.480   41.906  229.215   29.815  212.402   43.674  304.726   20.935 -92.32364 48.43275 
1 1 1   11   19   20 o  174.497   14.914   74.387   11.548   79.031   19.899   72.029   14.180  177.044   24.050  171.950   17.645 5.093567 29.82845 
1 1 1   11   19   21 o  121.400   15.545   37.265   8.6255   40.842   12.491   34.004   11.925  128.213   20.846  114.588   23.066 13.62571 31.09063 
1 1 1   11   19   22 o   80.177   14.723   15.400   5.8790   25.764   9.0814   7.9239   7.7133  100.466   20.044   59.888   21.572 40.57798 29.44657 
1 1 1   11   19   23 o  142.513   16.689   52.326   10.771   45.888   15.373   58.534   15.096  131.851   25.872  153.176   21.088 -21.32520 33.37771 
1 1 1   11   19   24 o  246.161   16.954  159.225   17.867  136.910   30.810  170.533   21.932  228.310   28.875  264.013   17.775 -35.70293 33.90735 
1 1 1   11   19   25 o  122.097   11.687   32.838   5.7917   43.498   12.198   29.736   6.5809  132.694   19.669  111.499   12.629 21.19497 23.37439 
1 1 1   11   19   26 o  107.566   14.302   29.116   6.2694   29.210   11.972   29.081   7.3591  105.240   24.756  109.892   14.329 -4.652039 28.60387 
1 1 1   11   19   27 f   92.643   12.618   21.727   5.2679   18.889   7.9799   23.918   7.0131   85.768   20.235   99.518   15.079 -13.75072 25.23558 
1 1 1   11   19   28 o  143.178   11.327   50.140   6.6718   50.696   7.8114   48.641   12.828  145.912   11.455  140.444   19.544 5.468506 22.65359 
1 1 1   11   19   29 o  110.135   10.303   28.793   5.1993   21.773   6.9295   37.836   7.8647   94.754   15.648  125.516   13.407 -30.76238 20.60628 
1 1 1   11   19   30 o  104.607   13.764   28.810   6.1249   31.084   7.5493   24.430   10.477  113.315   14.255   95.899   23.549 17.41648 27.52761 
1 1 1   11   19   31 o  121.791   11.534   38.674   5.9680   45.207   7.7148   28.940   9.4177  137.319   12.021  106.263   19.689 31.05574 23.06836 
1 1 1   11   19   32 o   73.443   14.295   12.558   4.2958   11.639   4.7940   16.301   9.6776   67.940   15.448   78.945   24.057 -11.00542 28.58949 
1 1 1   11   19   33 o   91.119   16.870   20.949   6.9194   20.949   6.9194   0.0000   0.0000   91.119   16.870  ?   ?       ?      ? 
1 1 1   11   19   34 o   79.844   14.057   15.311   5.1649   10.898   6.4429   23.246   8.6398   65.212   19.575   94.475   20.181 -29.26323 28.11454 
1 1 1   11   19   35 o   68.939   14.055   12.958   4.9417   15.853   6.1187   7.5271   8.3802   78.626   17.135   59.251   22.283 19.37488 28.10985 
1 1 1   11   19   36 o  115.018   16.515   32.760   8.8773   32.760   8.8773   0.0000   0.0000  115.018   16.515  ?   ?       ?      ? 
1 1 1   11   19   37 o   91.041   13.146   20.133   5.5935   20.133   5.5935   0.0000   0.0000   91.041   13.146  ?   ?       ?      ? 
1 1 1   11   19   38 o  123.851   29.540   44.640   16.859   44.640   16.859   0.0000   0.0000  123.851   29.540  ?   ?       ?      ? 
1 1 1   11   19   39 o   62.870   15.362   10.193   5.2620   11.627   5.9800   5.2730   11.076   66.580   18.535   59.159   24.502 7.421410 30.72305 
1 1 1   11   19   40 o  136.138   16.495   50.230   8.3038   50.511   9.4129   49.246   17.633  143.320   14.053  128.956   29.848 14.36377 32.99068 
1 1 1   11   19   41 o  258.213   17.599  183.427   20.916  152.226   29.616  214.473   29.542  232.369   27.272  284.058   22.253 -51.68907 35.19869 
1 1 1   11   19   42 o   94.199   14.250   23.628   6.4096   37.021   9.4914   12.399   8.6905  120.648   16.833   67.750   22.999 52.89743 28.50088 
1 1 1   11   19   43 o   78.092   14.558   15.850   5.6943   25.910   8.7942   8.5870   7.4723   97.638   19.946   58.547   21.211 39.09010 29.11610 
1 1 1   11   19   44 o   58.795   21.048   8.7133   7.3330   0.0000   0.0000   8.7133   7.3330  ?   ?    58.795   21.048      ?      ? 
1 1 1   11   19   45 o   85.268   12.820   18.234   5.0657   11.642   6.4933   28.485   8.0973   65.207   19.669  105.329   16.449 -40.12181 25.64060 
1 1 1   11   19   46 o   75.160   17.623   13.608   6.0292   10.526   6.7097   26.528   13.739   61.494   20.195   88.825   28.886 -27.33045 35.24562 
1 1 1   11   19   47 o   94.645   18.153   24.639   7.7375   24.639   7.7375   0.0000   0.0000   94.645   18.153  ?   ?       ?      ? 
1 1 1   11   19   48 o   77.457   18.370   17.808   7.2230   16.174   8.4299   22.320   14.009   73.804   22.444   81.111   29.087 -7.307678 36.73927 
1 1 1   11   19   49 o   66.101   15.140   13.071   5.3658   15.736   7.9327   10.823   7.2853   71.565   21.774   60.637   21.041 10.92789 30.27932 
1 1 1   11   19   50 o   43.530   13.420   2.0062   5.1152   1.5198   7.7284   2.3854   6.8237   43.777   19.316   43.282   18.634 0.4946823 26.83931 
1 1 1   11   19   51 o   55.800   13.726   8.9875   4.2804   7.8375   5.4169   10.899   6.9843   52.265   18.143   59.335   20.601 -7.069279 27.45135 
1 1 1   11   19   52 o   46.388   12.978   4.6508   4.5772   8.7904   6.0056  -1.0862   7.0701   54.305   19.089   38.470   17.586 15.83523 25.95510 
1 1 1   11   19   53 o   57.173   14.375   9.7063   4.9482   5.9863   6.5654   14.598   7.5287   47.991   19.238   66.355   21.365 -18.36399 28.75025 
1 1 1   11   19   54 o   33.607   11.050  -2.3493   4.2490  -0.3270   5.6382  -5.0075   6.4641   35.156   15.928   32.058   15.322 3.098259 22.10087 
1 1 1   11   20    0 o  214.249   13.800  112.334   19.168  112.334   19.168  112.334   19.168  214.249   19.516  214.249   19.516 -0.000000 0.000000 
1 1 1   11   20    1 f   96.124   9.9748   22.130   4.4760   20.866   6.3090   23.412   6.3513   93.298   14.469   98.950   13.734 -5.651207 19.94958 
1 1 1   11   20    2 o  125.284   10.248   37.644   5.9836   41.286   8.5430   34.137   8.3835  131.358   13.916  119.210   15.048 12.14818 20.49607 
1 1 1   11   20    3 o   89.935   9.0581   19.517   3.6609   18.387   5.9687   20.198   4.6352   87.557   14.586   92.314   10.744 -4.756851 18.11618 
1 1 1   11   20    4 o  268.752   24.239  193.460   30.406  204.009   43.119  183.026   42.882  276.997   33.308  260.507   35.222 16.49057 48.47727 
1 1 1   11   20    5 o  154.705   13.449   59.600   8.3012   56.024   16.531   60.806   9.5993  149.732   23.623  159.678   12.863 -9.945557 26.89808 
1 1 1   11   20    6 o  299.675   18.234  204.537   22.930  282.727   45.971  178.640   26.457  330.139   29.795  269.210   21.028 60.92957 36.46817 
1 1 1   11   20    7 o   47.472   11.799   4.9196   2.9528   3.4620   6.2356   5.3409   3.3526   47.971   18.904   46.972   14.125 0.9982338 23.59834 
1 1 1   11   20    8 o   59.240   11.924   6.8355   3.1039   13.473   6.4620   4.8450   3.5389   73.018   18.818   45.462   14.649 27.55558 23.84771 
1 1 1   11   20    9 o  136.386   10.613   38.145   6.0842   61.016   12.390   30.877   6.9843  158.983   16.676  113.790   13.133 45.19287 21.22655 
1 1 1   11   20   10 o   78.558   12.167   17.877   3.9641   9.2392   7.9421   20.742   4.5747   63.499   21.973   93.617   10.456 -30.11761 24.33374 
1 1 1   11   20   11 o   71.475   12.680   13.660   4.3923   7.3178   7.5498   16.906   5.4003   58.815   21.318   84.136   13.734 -25.32040 25.35923 
1 1 1   11   20   12 o  110.894   10.617   26.707   4.8149   35.532   10.044   24.074   5.4865  121.089   17.748  100.699   11.658 20.38969 21.23438 
1 1 1   11   20   13 o   66.927   13.071   11.227   4.0817   10.814   7.0711   11.433   4.9986   66.257   20.628   67.598   16.060 -1.341621 26.14266 
1 1 1   11   20   14 o  180.703   16.435   90.378   10.749   67.046   21.541   98.114   12.404  158.673   30.151  202.733   13.091 -44.06053 32.87059 
1 1 1   11   20   15 o   80.178   12.897   16.918   4.6016   12.837   8.0566   18.894   5.6059   71.502   21.979   88.855   13.500 -17.35229 25.79371 
1 1 1   11   20   16 o  104.315   14.107   30.677   6.0638   19.166   10.730   36.078   7.3501   85.760   25.143  122.870   12.800 -37.11069 28.21350 
1 1 1   11   20   17 o   77.514   12.954   15.110   4.3189   15.363   7.9637   15.005   5.1404   77.282   21.344   77.747   14.686 -0.4649200 25.90850 
1 1 1   11   20   18 o  205.145   19.542  110.084   18.438   88.887   25.847  132.045   26.309  182.840   30.248  227.450   24.750 -44.61009 39.08337 
1 1 1   11   20   19 o  114.971   14.278   33.010   7.4827   37.626   11.058   29.112   10.163  123.481   19.161  106.462   21.172 17.01955 28.55505 
1 1 1   11   20   20 o   99.371   13.329   24.242   5.2304   25.695   10.625   23.778   6.0089   99.106   23.327   99.636   12.904 -0.5294342 26.65869 
1 1 1   11   20   21 o  164.146   12.485   61.031   8.5506   77.101   17.080   55.657   9.8775  176.119   20.751  152.174   13.889 23.94481 24.96963 
1 1 1   11   20   22 o  127.140   11.880   38.143   6.1368   41.871   12.397   36.932   7.0629  129.912   20.419  124.367   12.152 5.545830 23.76093 
1 1 1   11   20   23 o  197.559   15.853   94.174   12.702  106.125   25.762   90.336   14.600  202.226   27.258  192.891   16.195 9.335052 31.70639 
1 1 1   11   20   24 o  179.389   20.314  106.126   12.439   50.592   24.956  124.483   14.348  131.001   38.327  227.777   13.479 -96.77625 40.62776 
1 1 1   11   20   25 o  100.869   13.655   25.263   6.0732   26.261   10.100   24.698   7.6009  100.812   22.050  100.927   16.114 -0.1156921 27.31090 
1 1 1   11   20   26 o  168.928   12.052   63.190   9.0661   96.765   15.864   46.906   11.048  199.180   17.042  138.675   17.047 60.50537 24.10453 
1 1 1   11   20   27 o   88.801   14.388   21.583   5.7118   15.301   10.080   24.554   6.9322   76.944   24.715  100.657   14.736 -23.71323 28.77519 
1 1 1   11   20   28 f   77.902   11.796   16.074   4.2887   21.896   5.7913   9.0045   6.3820   95.346   12.997   60.458   19.688 34.88807 23.59116 
1 1 1   11   20   29 o   59.173   12.138   9.0578   3.7134   11.620   4.7828   5.1696   5.8921   67.870   15.428   50.476   18.743 17.39410 24.27600 
1 1 1   11   20   30 o  143.946   13.471   50.492   8.5922   48.460   10.515   54.575   14.906  140.936   15.964  146.957   21.703 -6.020874 26.94223 
1 1 1   11   20   31 o  101.934   14.241   29.040   6.3241   35.565   8.0189   18.305   10.286  121.097   14.169   82.770   24.707 38.32671 28.48167 
1 1 1   11   20   32 o   75.907   12.881   15.015   4.5367   17.199   6.2601   12.600   6.5838   82.141   16.872   69.673   19.467 12.46749 25.76116 
1 1 1   11   20   33 o   97.752   13.390   24.826   5.8147   26.335   7.4656   22.499   9.2710  103.576   15.423   91.928   21.893 11.64783 26.77978 
1 1 1   11   20   34 o  117.492   30.333   40.108   16.770   40.108   16.770   0.0000   0.0000  117.492   30.333  ?   ?       ?      ? 
1 1 1   11   20   35 o   70.007   15.863   12.544   5.0700   12.544   5.0700   0.0000   0.0000   70.007   15.863  ?   ?       ?      ? 
1 1 1   11   20   36 o  130.210   12.485   40.630   7.4121   33.459   9.3291   52.907   12.206  115.551   17.275  144.869   18.028 -29.31813 24.96915 
1 1 1   11   20   37 o  175.056   13.971   78.647   11.423   80.723   16.502   76.737   15.829  177.131   19.934  172.982   19.580 4.148911 27.94175 
1 1 1   11   20   38 o   86.461   13.639   18.540   5.0532   16.311   6.0511   23.675   9.1855   79.346   16.839   93.576   21.461 -14.22987 27.27851 
1 1 1   11   20   39 o   93.988   10.816   21.837   4.7280   20.637   6.3227   23.359   7.1211   91.250   14.826   96.727   15.753 -5.477135 21.63245 
1 1 1   11   20   40 o   87.134   14.560   21.168   5.7883   18.026   9.2025   23.225   7.4457   80.055   23.232   94.213   17.556 -14.15831 29.11917 
1 1 1   11   20   41 o   52.440   12.936   6.7449   3.8292   6.6797   4.8763   6.8498   6.1846   51.529   17.229   53.351   19.301 -1.821964 25.87246 
1 1 1   11   20   42 o   57.284   14.918   6.8473   4.7655   5.1231   5.5542   11.658   9.2774   48.438   18.156   66.129   23.675 -17.69104 29.83514 
1 1 1   11   20   43 o   61.821   15.692   9.9066   5.1993   10.551   5.7750   7.1504   11.946   62.620   18.470   61.022   25.374 1.597698 31.38454 
1 1 1   11   20   44 o   60.509   16.045   9.6919   6.1957   5.3073   11.000   11.730   7.4984   56.394   23.952   64.624   21.355 -8.229153 32.08972 
1 1 1   11   20   45 o   60.585   17.375   8.7416   8.0057   13.695   10.760   2.5993   11.982   67.510   25.277   53.660   23.845 13.85020 34.74935 
1 1 1   11   20   46 o   52.197   15.415   4.0611   6.7711   9.0879   7.9332  -9.4269   12.995   58.577   21.749   45.818   21.850 12.75836 30.82923 
1 1 1   11   20   47 o   91.185   18.599   23.704   7.8802   17.081   9.3340   40.138   14.703   73.904   23.788  108.466   28.598 -34.56168 37.19822 
1 1 1   11   20   48 o   73.939   15.519   16.932   5.8951   22.353   8.7108   12.351   8.0074   84.801   21.845   63.077   22.050 21.72433 31.03851 
1 1 1   11   20   49 o   93.851   18.220   28.813   7.7726   37.186   14.024   25.100   9.3382   99.191   28.648   88.512   22.520 10.67956 36.43959 
1 1 1   11   20   50 o   54.710   12.690   8.9217   4.3798   13.413   5.5112   1.2236   7.2157   67.678   17.345   41.743   18.529 25.93517 25.38045 
1 1 1   11   20   51 o   36.763   12.031  -2.2390   4.8909  -4.1986   7.5275  -0.8073   6.4340   36.239   17.089   37.286   16.940 -1.047241 24.06245 
1 1 1   11   20   52 o   49.288   15.166   5.2293   5.9158   8.9271   11.369   3.8563   6.9276   54.399   23.731   44.177   18.891 10.22190 30.33240 
1 1 1   11   21    0 o  235.256   13.690  134.742   20.955  134.742   20.955  134.742   20.955  235.256   19.361  235.256   19.361 -0.000000 0.000000 
1 1 1   11   21    1 f   65.459   11.178   10.620   3.4647   7.0548   4.7839   14.553   5.0245   54.147   16.985   76.771   14.536 -22.62448 22.35602 
1 1 1   11   21    2 o  167.950   10.503   68.162   8.0288   65.278   12.736   70.063   10.343  164.449   16.571  171.450   12.908 -7.000534 21.00537 
1 1 1   11   21    3 o  226.505   12.590  123.774   13.075  128.176   20.722  120.862   16.854  229.072   19.356  223.939   16.104 5.132584 25.17967 
1 1 1   11   21    4 f  148.370   9.9618   52.761   6.7493   52.329   10.719   53.044   8.6879  147.483   15.551  149.257   12.455 -1.773376 19.92367 
1 1 1   11   21    5 o  232.335   12.621  128.576   13.504  146.065   21.414  117.029   17.401  244.754   18.721  219.916   16.930 24.83864 25.24110 
1 1 1   11   21    6 o  143.337   15.497   56.899   8.1111   41.844   16.266   61.882   9.3576  125.500   28.396  161.174   12.423 -35.67485 30.99434 
1 1 1   11   21    7 o   84.474   12.691   19.673   4.2694   13.564   8.7001   21.611   4.9000   73.519   22.880   95.429   10.987 -21.90993 25.38108 
1 1 1   11   21    8 o   64.548   12.557   11.161   4.3093   3.1927   7.2153   15.579   5.3728   49.835   20.101   79.261   15.055 -29.42648 25.11353 
1 1 1   11   21    9 o  174.794   12.226   65.064   8.9899   97.179   18.169   54.653   10.345  198.843   19.552  150.746   14.684 48.09715 24.45154 
1 1 1   11   21   10 o  155.668   13.029   58.031   8.2213   61.927   16.537   56.751   9.4752  157.343   22.488  153.993   13.166 3.350555 26.05879 
1 1 1   11   21   11 o  107.483   13.455   29.550   6.1485   26.711   10.559   31.006   7.5631  101.421   22.827  113.546   14.252 -12.12531 26.91082 
1 1 1   11   21   12 o  139.897   12.025   46.795   6.7430   49.475   13.765   45.949   7.7346  141.022   20.885  138.773   11.926 2.248932 24.05012 
1 1 1   11   21   13 o   80.446   12.498   14.843   4.3920   22.363   7.7610   11.300   5.3271   94.058   18.314   66.835   17.012 27.22340 24.99615 
1 1 1   11   21   14 f  222.734   20.554  139.218   18.441  108.602   31.892  154.596   22.603  195.289   36.278  250.179   19.331 -54.88966 41.10759 
1 1 1   11   21   15 o  205.117   15.445  101.864   14.806   0.0000   0.0000  101.864   14.806  ?   ?   205.117   15.445      ?      ? 
1 1 1   11   21   16 f  202.124   15.417  100.223   12.618  106.306   25.283   98.205   14.561  202.805   26.675  201.443   15.466 1.362640 30.83427 
1 1 1   11   21   17 o   93.320   12.339   23.168   4.4538   18.642   8.8890   24.685   5.1464   84.736   22.185  101.905   10.806 -17.16846 24.67714 
1 1 1   11   21   18 o  148.260   16.328   55.387   11.295   51.361   15.787   59.609   16.167  142.447   23.714  154.073   22.453 -11.62581 32.65656 
1 1 1   11   21   19 o  216.741   16.806  123.571   15.536  105.392   26.896  132.674   19.032  200.437   28.712  233.046   17.474 -32.60857 33.61146 
1 1 1   11   21   20 o   53.556   12.217   4.7090   3.5052   12.379   6.4162   1.4459   4.1849   69.760   19.114   37.351   15.220 32.40889 24.43362 
1 1 1   11   21   21 o   60.334   14.087   8.4860   4.5533   10.382   7.1870   7.2145   5.8850   64.953   20.870   55.716   18.926 9.236359 28.17375 
1 1 1   11   21   22 o  186.985   17.551   93.956   13.542   76.877   23.145  102.845   16.698  168.658   30.485  205.312   17.403 -36.65363 35.10252 
1 1 1   11   21   23 o  156.620   12.616   56.260   8.8141   73.809   15.556   47.962   10.697  172.832   19.259  140.407   16.301 32.42552 25.23167 
1 1 1   11   21   24 o  235.963   32.570  154.116   35.917   0.0000   0.0000  154.116   35.917  ?   ?   235.963   32.570      ?      ? 
1 1 1   11   21   25 o   84.676   13.272   17.220   4.2562   19.717   9.7780   16.636   4.7276   86.086   23.600   83.267   12.149 2.819107 26.54323 
1 1 1   11   21   26 o  134.107   15.432   50.322   7.4967   38.350   15.444   54.013   8.5747  118.115   28.340  150.099   12.224 -31.98438 30.86342 
1 1 1   11   21   27 o   62.760   13.258   10.008   3.8256   8.2677   8.0918   10.509   4.3414   60.859   22.069   64.661   14.699 -3.802502 26.51585 
1 1 1   11   21   28 o   44.470   11.449   4.0782   3.1248   2.6355   4.7531   5.1765   4.1470   41.753   16.489   47.188   15.888 -5.435558 22.89757 
1 1 1   11   21   29 o   80.402   12.414   16.007   4.4353   19.372   7.2525   13.996   5.6058   86.741   18.457   74.063   16.606 12.67799 24.82793 
1 1 1   11   21   30 o   83.954   11.959   17.722   4.3195   17.827   7.6257   17.672   5.2414   82.465   19.994   85.444   13.126 -2.978577 23.91724 
1 1 1   11   21   31 o  147.662   15.088   58.892   9.2160   48.959   15.757   64.056   11.362  133.669   26.161  161.655   15.039 -27.98672 30.17534 
1 1 1   11   21   32 o   48.787   12.151   5.2112   3.7443   8.1133   4.6721   0.0002   6.2606   56.548   16.594   41.027   17.755 15.52158 24.30269 
1 1 1   11   21   33 o  181.285   19.062  101.511   13.334  126.361   16.684   57.567   22.186  226.038   15.793  136.532   34.698 89.50581 38.12302 
1 1 1   11   21   34 o   91.637   16.862   24.534   7.5233   29.785   9.4984   15.695   12.324  106.597   19.795   76.677   27.304 29.92032 33.72496 
1 1 1   11   21   35 o  139.920   10.292   48.979   6.5757   52.835   8.6788   43.781   10.075  147.394   12.599  132.446   16.277 14.94760 20.58370 
1 1 1   11   21   36 o   78.588   14.459   18.260   5.2840   20.853   6.0135   9.4739   11.069   92.104   13.970   65.073   25.320 27.03049 28.91835 
1 1 1   11   21   37 o   89.572   14.283   20.228   5.3139   18.637   6.1976   24.643   10.326   85.117   16.171   94.027   23.549 -8.910767 28.56693 
1 1 1   11   21   38 o  111.614   11.921   33.028   5.8013   39.229   7.7858   25.289   8.6984  126.227   13.198   97.000   19.856 29.22681 23.84250 
1 1 1   11   21   39 o   57.004   11.556   8.6224   3.8773   13.972   4.9660   0.2690   6.2054   73.476   14.970   40.533   17.609 32.94323 23.11226 
1 1 1   11   21   40 o   93.430   12.297   23.237   5.1602   17.251   7.4243   28.832   7.1772   79.364   20.019  107.496   14.286 -28.13236 24.59375 
1 1 1   11   21   41 o   45.196   12.950   3.2029   4.3102   5.2869   5.1682  -1.5579   7.8114   48.075   17.606   42.317   18.997 5.758114 25.90038 
1 1 1   11   21   42 o   80.008   15.912   18.723   6.0012   17.856   10.682   19.123   7.2542   76.708   25.496   83.307   19.047 -6.599495 31.82487 
1 1 1   11   21   43 o   60.338   13.659   10.913   4.9782   14.762   5.7899   0.0022   9.7493   73.363   17.188   47.313   21.232 26.04950 27.31735 
1 1 1   11   21   44 o   34.731   11.607  -3.9823   4.0862  -3.9024   4.6460  -4.2553   8.5867   28.909   13.567   40.552   18.837 -11.64290 23.21424 
1 1 1   11   21   45 o   49.974   14.078   4.7206   4.3658   3.6463   5.0231   8.0382   8.8274   43.031   16.964   56.918   22.473 -13.88649 28.15662 
1 1 1   11   21   46 o   89.547   16.473   27.420   7.3239   32.869   9.2683   18.360   11.951  106.826   19.273   72.268   26.721 34.55886 32.94688 
1 1 1   11   21   47 o   85.954   15.525   23.177   6.2430   24.387   9.2243   22.154   8.4805   87.565   22.438   84.343   21.461 3.222153 31.04942 
1 1 1   11   21   48 o   46.898   13.868   4.6027   5.0422   4.9926   7.7515   4.3167   6.6387   48.189   20.267   45.607   18.936 2.581696 27.73615 
1 1 1   11   21   49 o   39.571   12.586  -1.2082   4.9507   4.1611   7.5184  -5.3185   6.5781   46.367   19.750   32.775   15.607 13.59226 25.17220 
1 1 1   11   21   50 o   52.776   15.570   7.2330   5.7155   10.412   11.591   6.2115   6.5698   57.171   24.441   48.382   19.297 8.788879 31.14056 
1 1 1   11   21   51 o   62.720   14.948   13.743   5.2722   15.358   7.1076   11.766   7.8614   67.348   20.634   58.093   21.634 9.254642 29.89677 
1 1 1   11   22    0 o   83.760   12.094   18.584   5.9208   18.584   5.9208   18.584   5.9208   83.760   17.103   83.760   17.103 -0.000000 0.000000 
1 1 1   11   22    1 o  207.252   11.489  102.031   10.965  118.339   17.422   91.335   14.110  220.320   16.920  194.184   15.548 26.13564 22.97859 
1 1 1   11   22    2 o  149.789   10.506   56.074   7.0089   46.566   11.159   62.269   9.0071  138.071   17.294  161.508   11.933 -23.43613 21.01143 
1 1 1   11   22    3 o  151.167   10.924   55.337   7.7145   55.207   11.055   55.461   10.771  150.916   15.673  151.417   15.220 -0.5012054 21.84760 
1 1 1   11   22    4 o  141.403   12.649   47.167   8.0550   42.559   9.9461   55.950   13.731  132.376   16.077  150.430   19.531 -18.05383 25.29708 
1 1 1   11   22    5 o  150.622   16.667   68.379   8.8392   40.515   17.636   77.727   10.215  120.872   31.054  180.371   12.118 -59.49946 33.33467 
1 1 1   11   22    6 o  132.943   11.744   42.168   7.2964   0.0000   0.0000   42.168   7.2964  ?   ?   132.943   11.744      ?      ? 
1 1 1   11   22    7 o  120.197   11.635   34.562   5.7274   36.390   11.318   33.933   6.6403  121.169   19.987  119.225   11.917 1.943237 23.26995 
1 1 1   11   22    8 o  146.419   12.873   53.851   7.5090   49.976   14.915   55.167   8.6908  140.894   22.650  151.943   12.239 -11.04895 25.74531 
1 1 1   11   22    9 o  114.446   11.421   31.203   6.1085   0.0000   0.0000   31.203   6.1085  ?   ?   114.446   11.421      ?      ? 
1 1 1   11   22   10 o  116.256   11.633   31.224   5.5469   36.373   11.202   29.551   6.3846  121.295   19.760  111.216   12.284 10.07865 23.26694 
1 1 1   11   22   11 o   81.860   13.723   17.630   5.0397   14.861   8.4981   19.133   6.2591   76.062   22.397   87.658   15.862 -11.59662 27.44547 
1 1 1   11   22   12 o  155.192   15.553   65.959   8.8643   51.339   17.734   70.829   10.235  138.331   28.383  172.053   12.728 -33.72125 31.10608 
1 1 1   11   22   13 o   88.419   12.543   17.491   4.9505   28.481   8.5726   11.992   6.0638  108.117   16.966   68.722   18.479 39.39535 25.08653 
1 1 1   11   22   14 o  148.636   13.502   54.586   8.8120   53.867   15.220   54.949   10.808  146.541   22.223  150.730   15.342 -4.188599 27.00475 
1 1 1   11   22   15 o  156.990   12.527   57.327   8.7769   70.420   15.368   50.989   10.692  168.914   19.468  145.066   15.771 23.84760 25.05418 
1 1 1   11   22   16 o  196.919   15.236   92.748   13.401  110.926   23.312   83.776   16.377  209.319   23.830  184.519   18.991 24.80020 30.47158 
1 1 1   11   22   17 o  204.165   13.496   94.847   11.384  119.893   23.086   86.800   13.086  218.567   22.601  189.762   14.755 28.80469 26.99115 
1 1 1   11   22   18 o  152.189   12.280   52.477   7.6777   65.385   15.679   48.406   8.8057  162.270   20.674  142.108   13.259 20.16226 24.56069 
1 1 1   11   22   19 o  134.257   12.359   41.294   7.4704   55.576   12.855   34.012   9.1796  150.372   18.292  118.142   16.626 32.22966 24.71855 
1 1 1   11   22   20 o  145.423   17.496   55.474   11.529   61.074   16.036   49.482   16.588  155.325   22.090  135.520   27.136 19.80531 34.99100 
1 1 1   11   22   21 o  132.088   16.987   45.773   10.200   48.180   13.958   43.015   14.941  137.845   21.667  126.331   26.167 11.51389 33.97357 
1 1 1   11   22   22 o  173.819   18.375   79.332   14.869   84.019   20.670   74.306   21.404  180.161   24.549  167.477   27.347 12.68393 36.74922 
1 1 1   11   22   23 o   35.473   10.950  -1.4714   3.6529  -7.3462   6.0677   1.8681   4.5747   31.429   14.972   39.516   15.982 -8.086391 21.89967 
1 1 1   11   22   24 o   62.826   13.325   10.829   4.1743   3.4804   9.1255   12.774   4.6942   54.207   22.326   71.446   14.553 -17.23900 26.64985 
1 1 1   11   22   25 o   92.037   12.117   20.336   5.2119   0.0000   0.0000   20.336   5.2119  ?   ?    92.037   12.117      ?      ? 
1 1 1   11   22   26 o  230.523   32.409  150.136   34.916   0.0000   0.0000  150.136   34.916  ?   ?   230.523   32.409      ?      ? 
1 1 1   11   22   27 o  176.497   14.258   75.871   11.761   0.0000   0.0000   75.871   11.761  ?   ?   176.497   14.258      ?      ? 
1 1 1   11   22   28 o   58.677   20.754   8.1108   7.1085   0.0000   0.0000   8.1108   7.1085  ?   ?    58.677   20.754      ?      ? 
1 1 1   11   22   29 o  207.069   12.786  107.629   12.331  117.528   17.472   97.806   17.404  217.230   17.210  196.909   18.913 20.32057 25.57113 
1 1 1   11   22   30 f   75.062   11.214   14.311   3.9984   22.383   5.8134   7.0651   5.5081   96.034   12.953   54.091   18.310 41.94268 22.42841 
1 1 1   11   22   31 o   73.438   12.798   13.773   4.2771   15.696   6.9114   12.580   5.4449   77.161   19.234   69.715   16.890 7.445671 25.59675 
1 1 1   11   22   32 o  125.583   10.841   39.212   6.2677   31.468   8.7647   47.317   8.9665  112.163   16.720  139.003   13.802 -26.84007 21.68118 
1 1 1   11   22   33 o  114.305   13.171   32.149   6.7434   26.616   8.5109   41.481   11.053  100.974   18.725  127.636   18.529 -26.66192 26.34274 
1 1 1   11   22   34 o   72.212   15.842   13.074   5.1346   12.384   5.7649   15.722   11.293   68.654   17.814   75.771   26.203 -7.117531 31.68450 
1 1 1   11   22   35 o   39.265   15.930   2.0303   4.5603   2.0303   4.5603   0.0000   0.0000   39.265   15.930  ?   ?       ?      ? 
1 1 1   11   22   36 o  129.433   14.488   50.329   7.0393   57.587   8.3618   32.673   13.042  153.691   11.642  105.175   26.535 48.51607 28.97639 
1 1 1   11   22   37 o   63.008   14.018   11.719   4.8493   14.393   5.3972   0.5189   11.045   74.107   16.048   51.910   22.989 22.19664 28.03643 
1 1 1   11   22   38 o  124.584   16.947   46.671   8.1580   49.889   9.4348   37.138   16.240  141.410   14.276  107.758   30.740 33.65159 33.89325 
1 1 1   11   22   39 o  110.649   15.456   36.336   6.7300   39.059   7.8129   28.504   13.250  125.416   13.330   95.883   27.891 29.53340 30.91220 
1 1 1   11   22   40 o   78.393   12.891   16.094   4.6774   11.090   6.0848   23.323   7.3132   63.463   19.017   93.323   17.408 -29.86007 25.78132 
1 1 1   11   22   41 o   68.579   14.501   9.3658   4.8306   4.2247   5.5590   25.217   9.7611   45.401   17.863   91.758   22.849 -46.35680 29.00288 
1 1 1   11   22   42 o   77.679   15.870   16.374   5.7895   12.959   6.9939   23.807   10.319   67.268   20.440   88.089   24.283 -20.82104 31.74098 
1 1 1   11   22   43 o   89.453   14.860   24.367   5.9115   26.565   7.0360   19.092   10.901  101.549   14.825   77.357   25.757 24.19221 29.71920 
1 1 1   11   22   44 o   66.255   22.488   13.689   8.3089   13.689   8.3089   0.0000   0.0000   66.255   22.488  ?   ?       ?      ? 
1 1 1   11   22   45 f   49.344   14.662   3.9437   5.8242  -0.1800   7.7127   9.4155   8.8842   41.576   18.751   57.111   22.546 -15.53521 29.32455 
1 1 1   11   22   46 o   64.950   13.769   10.971   4.8720   22.109   8.0106   4.4328   6.1376   84.705   20.464   45.195   18.426 39.50987 27.53723 
1 1 1   11   22   47 o   86.638   16.074   27.217   7.3348   35.394   9.5062   15.186   11.530  108.731   19.420   64.544   25.620 44.18702 32.14849 
1 1 1   11   22   48 o   29.630   10.030  -6.0975   4.0485 -10.2449   6.0737  -2.7816   5.4309   27.241   13.421   32.019   14.909 -4.778357 20.05989 
1 1 1   11   22   49 o   53.573   13.685   9.0002   4.3808   9.9155   6.5081   8.2419   5.9239   55.405   19.830   51.740   18.864 3.665035 27.36911 
1 1 1   11   23    0 f  136.005   11.345   45.766   9.8256   45.766   9.8256   45.766   9.8256  136.005   16.045  136.005   16.045 -0.000000 0.000000 
1 1 1   11   23    1 o  301.165   16.666  231.486   22.798  218.841   36.042  239.920   29.434  291.235   26.481  311.096   20.245 -19.86093 33.33280 
1 1 1   11   23    2 f  177.287   12.091   77.941   9.6335   53.761   13.481  103.170   13.771  147.546   19.551  207.028   14.233 -59.48215 24.18264 
1 1 1   11   23    3 o  187.858   14.602   84.209   12.254   76.458   14.986   99.845   21.286  176.609   18.157  199.107   22.875 -22.49808 29.20498 
1 1 1   11   23    4 o  107.375   12.213   27.743   5.6533   30.909   9.9054   26.213   6.8847  110.373   19.937  104.378   14.113 5.994286 24.42659 
1 1 1   11   23    5 o  143.955   11.896   49.444   8.0033   0.0000   0.0000   49.444   8.0033  ?   ?   143.955   11.896      ?      ? 
1 1 1   11   23    6 o  157.160   12.535   59.064   9.2070   0.0000   0.0000   59.064   9.2070  ?   ?   157.160   12.535      ?      ? 
1 1 1   11   23    7 o   46.245   12.112   3.6422   2.9520   5.9926   6.4614   3.0222   3.3186   53.675   19.681   38.815   14.124 14.85988 24.22466 
1 1 1   11   23    8 o  126.271   15.517   47.739   7.1568   27.833   14.241   54.465   8.2781  101.400   28.737  151.143   11.719 -49.74304 31.03473 
1 1 1   11   23    9 o  120.466   12.621   35.887   5.8572   36.022   11.903   35.844   6.7282  118.316   22.345  122.616   11.741 -4.299889 25.24212 
1 1 1   11   23   10 o   98.388   11.889   23.325   4.6908   25.230   9.2246   22.660   5.4478   99.311   20.552   97.466   11.960 1.844810 23.77898 
1 1 1   11   23   11 o  154.747   13.880   59.221   9.4148   58.579   16.322   59.540   11.525  152.652   22.878  156.842   15.724 -4.190292 27.76072 
1 1 1   11   23   12 o  277.369   21.982  207.631   23.952  197.291   47.919  211.074   27.654  262.823   39.012  291.915   20.270 -29.09177 43.96412 
1 1 1   11   23   13 o  102.247   14.398   29.228   6.2515   18.800   10.807   34.472   7.6640   84.710   25.335  119.784   13.690 -35.07372 28.79691 
1 1 1   11   23   14 o  128.419   12.801   40.029   7.3198   42.253   12.512   38.872   9.0252  130.174   20.567  126.664   15.246 3.510727 25.60177 
1 1 1   11   23   15 o  168.182   14.739   73.788   9.6483   65.255   19.413   76.588   11.119  158.021   26.286  178.343   13.340 -20.32181 29.47745 
1 1 1   11   23   16 o  143.911   11.245   46.084   6.6820   60.770   13.683   41.485   7.6572  156.406   18.719  131.415   12.468 24.99074 22.49072 
1 1 1   11   23   17 o   47.627   12.644   4.4504   3.5739   3.8659   6.7160   4.6813   4.2212   49.420   19.573   45.834   16.010 3.586193 25.28703 
1 1 1   11   23   18 o  137.226   12.804   44.655   7.8908   53.446   13.560   40.154   9.7029  146.279   19.835  128.174   16.198 18.10480 25.60854 
1 1 1   11   23   19 o  177.697   14.967   78.142   11.740   83.490   20.442   75.510   14.340  180.165   24.278  175.228   17.511 4.936508 29.93372 
1 1 1   11   23   20 o  265.830   27.815  230.986   27.884  141.891   48.136  275.981   34.208  201.802   51.012  329.858   22.190 -128.0558 55.62950 
1 1 1   11   23   21 o  143.587   16.024   50.452   10.753   0.0000   0.0000   50.452   10.753  ?   ?   143.587   16.024      ?      ? 
1 1 1   11   23   22 o  384.510   38.574  445.955   69.317   0.0000   0.0000  445.955   69.317  ?   ?   384.510   38.574      ?      ? 
1 1 1   11   23   23 f   86.050   17.084   18.877   6.6282   0.0000   0.0000   18.877   6.6282  ?   ?    86.050   17.084      ?      ? 
1 1 1   11   23   24 o  118.833   21.647   37.061   11.579   0.0000   0.0000   37.061   11.579  ?   ?   118.833   21.647      ?      ? 
1 1 1   11   23   25 o   65.269   20.016   10.983   6.6864   0.0000   0.0000   10.983   6.6864  ?   ?    65.269   20.016      ?      ? 
1 1 1   11   23   26 o  172.983   15.460   76.201   11.623   80.691   20.722   74.139   14.039  173.599   25.541  172.366   17.428 1.232681 30.92045 
1 1 1   11   23   27 o   78.013   23.329   16.430   9.1639   16.430   9.1639   0.0000   0.0000   78.013   23.329  ?   ?       ?      ? 
1 1 1   11   23   28 o   94.975   17.413   24.918   7.5518   24.889   12.900   24.932   9.3149   93.286   27.629   96.664   21.202 -3.378754 34.82669 
1 1 1   11   23   29 o  199.792   14.822   95.131   13.152  133.465   23.538   77.730   15.859  225.292   22.356  174.292   19.469 50.99979 29.64485 
1 1 1   11   23   30 o   74.882   12.944   14.831   4.5190   16.953   6.2909   12.570   6.4956   80.836   17.181   68.928   19.364 11.90819 25.88745 
1 1 1   11   23   31 o  160.418   11.195   64.309   8.3620   58.617   11.865   69.926   11.787  152.839   16.611  167.996   15.012 -15.15617 22.38942 
1 1 1   11   23   32 o  238.145   13.466  143.416   14.776  160.777   23.346  131.813   19.085  248.745   20.082  227.546   17.947 21.19829 26.93270 
1 1 1   11   23   33 o  115.453   9.8287   32.480   5.1773   35.207   8.3986   30.809   6.5753  118.712   15.138  112.194   12.540 6.517914 19.65747 
1 1 1   11   23   34 o  205.216   14.875  113.007   14.259  116.052   20.091  109.917   20.239  208.526   20.616  201.907   21.448 6.619278 29.75000 
1 1 1   11   23   35 o  103.516   12.006   27.625   5.6454   23.809   7.7450   31.952   8.2460   94.665   18.167  112.367   15.702 -17.70166 24.01232 
1 1 1   11   23   36 o  242.616   17.087  156.301   18.316  139.985   22.150  191.578   32.569  228.873   20.708  256.359   27.184 -27.48662 34.17323 
1 1 1   11   23   37 o  121.918   11.380   38.321   6.3931   44.556   8.9735   31.894   9.1105  133.115   14.424  110.721   17.606 22.39397 22.76045 
1 1 1   11   23   38 o  192.062   17.950  117.070   12.333  128.258   14.418   86.559   23.809  225.550   13.678  158.575   33.192 66.97525 35.89943 
1 1 1   11   23   39 o   50.909   14.083   5.2916   4.2074   4.4698   4.7699   8.1721   8.9302   44.538   16.799   57.280   22.607 -12.74225 28.16515 
1 1 1   11   23   40 o   89.701   15.417   25.945   6.5663   30.443   7.8417   15.390   12.012  108.500   15.465   70.902   26.676 37.59882 30.83405 
1 1 1   11   23   41 o   78.137   15.680   19.288   6.0959   21.769   7.3550   13.844   10.894   88.581   18.369   67.693   25.417 20.88866 31.35993 
1 1 1   11   23   42 f   70.693   12.762   17.109   5.3184   23.304   6.1810  -0.5584   10.437   94.668   13.971   46.717   21.360 47.95092 25.52341 
1 1 1   11   23   43 o   42.894   13.264  -1.6266   5.7814   7.2513   7.7219 -12.9509   8.7212   52.645   20.944   33.143   16.280 19.50290 26.52754 
1 1 1   11   23   44 o   49.501   14.804   4.9462   6.0670   8.1433   8.2275   1.1357   8.9821   53.962   21.570   45.041   20.282 8.921551 29.60783 
1 1 1   11   23   45 o   92.524   17.033   27.844   7.7028   17.679   9.8942   43.485   12.273   70.218   24.512  114.830   23.656 -44.61168 34.06572 
1 1 1   11   23   46 o   58.205   16.788   6.4381   5.8001   23.331   13.597   2.6804   6.4129   74.234   28.275   42.176   18.109 32.05863 33.57681 
1 1 1   11   23   47 o   58.649   15.186   9.9273   5.3580   5.4833   6.5890   18.602   9.2059   46.427   19.028   70.871   23.673 -24.44453 30.37235 
1 1 1   11   24    0 o   87.672   11.579   20.032   6.0234   20.032   6.0234   20.032   6.0234   87.672   16.376   87.672   16.376 -0.000000 0.000000 
1 1 1   11   24    1 o  217.115   12.603  114.334   12.559  109.225   16.155  122.136   19.966  211.877   16.315  222.353   19.213 -10.47598 25.20584 
1 1 1   11   24    2 o  110.733   10.463   29.631   5.4138   29.063   7.6471   30.203   7.6656  109.637   14.924  111.830   14.667 -2.192795 20.92511 
1 1 1   11   24    3 o   89.238   15.141   20.633   6.3403   15.001   8.8194   26.657   9.1212   76.256   22.905  102.221   19.808 -25.96506 30.28177 
1 1 1   11   24    4 o   61.367   13.291   8.7245   3.8191   11.110   7.3738   7.8499   4.4646   66.639   21.111   56.096   16.153 10.54280 26.58229 
1 1 1   11   24    5 o  178.564   13.432   76.712   11.209   0.0000   0.0000   76.712   11.209  ?   ?   178.564   13.432      ?      ? 
1 1 1   11   24    6 o  124.685   11.632   37.158   6.7784   0.0000   0.0000   37.158   6.7784  ?   ?   124.685   11.632      ?      ? 
1 1 1   11   24    7 o   73.985   12.617   14.303   3.8713   11.965   8.1623   14.982   4.3974   68.868   22.253   79.101   11.895 -10.23287 25.23302 
1 1 1   11   24    8 o  110.496   13.214   31.718   5.5402   28.841   11.296   32.629   6.3573  104.230   23.722  116.763   11.650 -12.53300 26.42857 
1 1 1   11   24    9 o  201.121   15.222  105.651   12.057   95.431   23.967  109.114   13.952  189.924   27.002  212.318   14.060 -22.39429 30.44341 
1 1 1   11   24   10 o  149.158   14.346   59.086   8.0361   50.915   16.069   61.811   9.2799  137.894   25.885  160.421   12.378 -22.52719 28.69243 
1 1 1   11   24   11 o   84.775   13.408   18.703   5.0703   16.347   8.6250   19.947   6.2676   78.922   22.363   90.627   14.798 -11.70507 26.81568 
1 1 1   11   24   12 o   63.990   11.435   11.789   3.7620   2.2053   7.0804   15.559   4.4406   47.352   19.599   80.627   11.785 -33.27464 22.86943 
1 1 1   11   24   13 o  131.470   14.243   45.717   7.1100   39.635   14.114   47.785   8.2305  121.808   25.606  141.133   12.478 -19.32426 28.48502 
1 1 1   11   24   14 f  117.908   14.657   38.077   7.1196   28.198   12.311   43.041   8.7270  102.317   25.762  133.499   13.988 -31.18145 29.31399 
1 1 1   11   24   15 f  238.455   19.384  151.348   20.134  146.152   34.734  153.978   24.709  229.933   32.323  246.977   21.407 -17.04359 38.76846 
1 1 1   11   24   16 o  111.979   14.499   30.431   7.5880   0.0000   0.0000   30.431   7.5880  ?   ?   111.979   14.499      ?      ? 
1 1 1   11   24   17 o  112.327   11.914   30.291   6.2544   0.0000   0.0000   30.291   6.2544  ?   ?   112.327   11.914      ?      ? 
1 1 1   11   24   18 o   70.980   13.489   12.566   4.3110   0.0000   0.0000   12.566   4.3110  ?   ?    70.980   13.489      ?      ? 
1 1 1   11   24   19 o   31.372   13.223   0.4198   3.3118   0.0000   0.0000   0.4198   3.3118  ?   ?    31.372   13.223      ?      ? 
1 1 1   11   24   20 o   87.242   15.551   19.170   6.1078   0.0000   0.0000   19.170   6.1078  ?   ?    87.242   15.551      ?      ? 
1 1 1   11   24   21 o   75.588   16.101   14.571   5.5136   0.0000   0.0000   14.571   5.5136  ?   ?    75.588   16.101      ?      ? 
1 1 1   11   24   22 o   51.036   13.143   3.5308   4.4684   10.868   6.9050  -1.7558   5.8610   64.983   20.410   37.089   16.566 27.89413 26.28642 
1 1 1   11   24   23 o   37.999   11.772  -0.5149   3.9077  -1.3660   6.3597   0.0013   4.9530   39.249   17.410   36.748   15.848 2.501102 23.54312 
1 1 1   11   24   24 o   56.937   15.091   7.0313   5.1484   6.4112   9.4361   7.2941   6.1434   58.508   23.192   55.366   19.316 3.142193 30.18211 
1 1 1   11   24   25 o   71.888   15.159   14.335   5.1491   9.6791   11.124   15.604   5.8088   65.886   25.453   77.890   16.472 -12.00430 30.31837 
1 1 1   11   24   26 o  162.959   14.314   61.341   10.315   96.558   18.432   45.286   12.446  193.326   20.401  132.592   20.084 60.73445 28.62821 
1 1 1   11   24   27 o   97.363   17.598   26.940   7.9170   24.759   13.017   28.221   9.9740   92.304   27.849  102.421   21.521 -10.11720 35.19564 
1 1 1   11   24   28 o   57.356   14.144   6.6381   3.7283   11.300   9.1088   5.6999   4.0863   66.453   23.494   48.259   15.756 18.19438 28.28829 
1 1 1   11   24   29 f   71.271   14.850   9.5489   4.0799   22.317   10.739   7.3953   4.4106   88.712   24.890   53.830   16.204 34.88161 29.69988 
1 1 1   11   24   30 o  127.403   17.762   47.398   9.5014   40.462   16.901   50.602   11.489  113.928   30.942  140.877   17.450 -26.94933 35.52338 
1 1 1   11   24   31 o  131.043   10.174   41.649   6.1363   52.948   9.6001   33.843   7.9791  145.818   14.087  116.269   14.684 29.54855 20.34871 
1 1 1   11   24   32 o   57.578   12.085   8.7480   3.4782   8.2677   5.3104   9.1089   4.6028   56.304   17.924   58.853   16.216 -2.548763 24.17069 
1 1 1   11   24   33 o  141.875   16.704   63.553   8.7859   40.192   16.656   72.558   10.342  112.215   30.818  171.536   12.900 -59.32107 33.40859 
1 1 1   11   24   34 f  146.444   12.912   52.483   8.4814   44.165   10.365   69.334   14.753  131.070   16.922  161.818   19.508 -30.74799 25.82471 
1 1 1   11   24   35 o   74.706   11.435   16.011   3.9783   8.5414   6.2542   21.088   5.1559   56.959   19.510   92.452   11.933 -35.49379 22.86964 
1 1 1   11   24   36 o  124.453   11.919   40.544   6.8827   34.571   9.3585   47.582   10.158  113.918   17.578  134.988   16.101 -21.06926 23.83774 
1 1 1   11   24   37 o   51.897   14.812   4.3961   4.4796   3.0018   4.9616   10.545   10.419   41.501   16.693   62.294   24.472 -20.79375 29.62359 
1 1 1   11   24   38 f  120.313   15.338   37.357   8.6241   37.357   8.6241   0.0000   0.0000  120.313   15.338  ?   ?       ?      ? 
1 1 1   11   24   39 o  138.201   18.604   69.136   10.564   82.446   12.750   39.985   18.869  177.556   15.365   98.847   33.887 78.70887 37.20806 
1 1 1   11   24   40 o   75.573   18.946   20.247   8.4696   24.383   12.255   16.465   11.718   82.041   27.311   69.105   26.266 12.93597 37.89153 
1 1 1   11   24   41 o   66.370   16.611   14.890   6.8787   18.616   8.6750   8.5788   11.290   75.701   22.712   57.040   24.247 18.66162 33.22225 
1 1 1   11   24   42 o   62.362   15.990   11.091   6.4415   3.8975   8.5074   20.757   9.8612   47.641   20.658   77.082   24.413 -29.44112 31.98014 
1 1 1   11   24   43 o  108.616   17.414   41.394   8.7092   45.121   11.115   35.467   14.018  123.512   19.255   93.719   29.022 29.79404 34.82860 
1 1 1   11   24   44 o   50.477   15.414   5.4586   5.5524   7.3514   13.045   5.0398   6.1360   55.025   24.636   45.930   18.533 9.095673 30.82838 
1 1 1   11   24   45 o   51.873   14.457   5.8835   5.1528   1.0634   6.3288   15.362   8.8750   38.898   17.306   64.848   23.162 -25.94980 28.91315 
1 1 1   11   24   46 o   41.390   17.817   3.0678   6.2368   3.0678   6.2368   0.0000   0.0000   41.390   17.817  ?   ?       ?      ? 
1 1 1   11   25    0 o  109.694   10.818   30.216   7.4064   30.216   7.4064   30.216   7.4064  109.694   15.298  109.694   15.298 -0.000000 0.000000 
1 1 1   11   25    1 o  157.826   9.2645   60.015   6.8181   55.767   9.6759   64.204   9.6090  152.091   13.613  163.561   12.571 -11.46973 18.52909 
1 1 1   11   25    2 o  167.572   10.454   66.664   8.0830   77.159   12.731   59.577   10.462  178.181   15.288  156.962   14.262 21.21941 20.90793 
1 1 1   11   25    3 o  228.727   21.919  142.658   23.224  162.547   32.998  123.137   32.692  246.988   28.587  210.467   33.236 36.52164 43.83876 
1 1 1   11   25    4 o  212.352   14.695  101.786   13.795  165.399   24.079   70.709   16.830  257.302   20.024  167.402   21.512 89.90082 29.38950 
1 1 1   11   25    5 o  158.645   16.418   67.955   10.660   56.196   18.538   73.764   13.029  143.459   28.653  173.830   16.038 -30.37096 32.83604 
1 1 1   11   25    6 o  275.757   26.027  226.045   29.187  194.008   50.540  242.077   35.752  246.036   45.634  305.479   25.042 -59.44334 52.05371 
1 1 1   11   25    7 o  146.110   12.587   48.559   8.2019   68.012   14.509   39.423   9.9431  165.482   18.760  126.738   16.787 38.74455 25.17432 
1 1 1   11   25    8 o   97.291   12.684   23.775   4.8281   23.842   9.7792   23.754   5.5520   95.050   22.384   99.531   11.936 -4.481331 25.36747 
1 1 1   11   25    9 o  180.492   17.749   80.653   14.972   0.0000   0.0000   80.653   14.972  ?   ?   180.492   17.749      ?      ? 
1 1 1   11   25   10 o  131.913   15.030   42.441   9.2662   0.0000   0.0000   42.441   9.2662  ?   ?   131.913   15.030      ?      ? 
1 1 1   11   25   11 o   56.726   17.537   8.0361   5.1209   0.0000   0.0000   8.0361   5.1209  ?   ?    56.726   17.537      ?      ? 
1 1 1   11   25   12 o  233.038   21.201  138.471   23.090   0.0000   0.0000  138.471   23.090  ?   ?   233.038   21.201      ?      ? 
1 1 1   11   25   13 o  218.690   31.417  134.571   32.110   0.0000   0.0000  134.571   32.110  ?   ?   218.690   31.417      ?      ? 
1 1 1   11   25   14 o  101.806   24.385   28.150   11.449   0.0000   0.0000   28.150   11.449  ?   ?   101.806   24.385      ?      ? 
1 1 1   11   25   15 o   52.377   19.090   6.0059   6.0662   0.0000   0.0000   6.0059   6.0662  ?   ?    52.377   19.090      ?      ? 
1 1 1   11   25   16 f  171.757   24.895   78.259   19.983   0.0000   0.0000   78.259   19.983  ?   ?   171.757   24.895      ?      ? 
1 1 1   11   25   17 o  243.505   35.764  177.938   40.700  177.938   40.700   0.0000   0.0000  243.505   35.764  ?   ?       ?      ? 
1 1 1   11   25   18 o  139.413   15.706   50.463   10.226   53.019   14.633   48.024   14.297  143.065   21.886  135.761   22.534 7.304123 31.41244 
1 1 1   11   25   19 o  224.833   25.950  155.758   25.998  125.497   36.864  185.704   36.671  194.389   41.818  255.277   30.737 -60.88832 51.89939 
1 1 1   11   25   20 o  107.820   16.689   31.900   8.1378   29.485   12.240   33.813   10.895  102.753   25.586  112.887   21.434 -10.13441 33.37732 
1 1 1   11   25   21 o   91.501   25.934   23.602   11.598   23.602   11.598   0.0000   0.0000   91.501   25.934  ?   ?       ?      ? 
1 1 1   11   25   22 o   58.783   13.457   8.5728   3.6628   7.4397   8.6428   8.8209   4.0439   58.833   22.510   58.733   14.752 0.1002579 26.91368 
1 1 1   11   25   23 o   34.337   11.480  -2.7105   2.8239  -1.3940   8.6324  -2.8682   2.9884   45.396   20.203   23.278   10.911 22.11785 22.96068 
1 1 1   11   25   24 o   36.476   11.291   0.2276   3.2921  -5.6375   7.4922   1.6310   3.6648   37.433   17.457   35.518   14.326 1.915180 22.58269 
1 1 1   11   25   25 o   98.479   15.360   31.523   6.2954   14.650   13.276   36.417   7.1505   74.703   28.056  122.255   12.515 -47.55173 30.72072 
1 1 1   11   25   26 o   97.826   14.051   19.819   5.9061   42.760   11.756   12.075   6.8306  128.425   19.587   67.227   20.150 61.19828 28.10104 
1 1 1   11   25   27 o   40.990   12.693  -2.2218   3.9922   5.2752   8.3246  -4.4609   4.5494   53.759   21.624   28.222   13.301 25.53795 25.38691 
1 1 1   11   25   28 o  101.845   14.864   23.368   6.1939   42.873   12.630   17.191   7.1072  124.153   22.599   79.537   19.313 44.61600 29.72749 
1 1 1   11   25   29 o   58.977   15.371   8.6590   5.8565   0.9715   10.873   11.801   6.9509   52.116   22.958   65.838   20.445 -13.72194 30.74171 
1 1 1   11   25   30 o   58.548   18.807   8.9944   5.8364   0.0000   0.0000   8.9944   5.8364  ?   ?    58.548   18.807      ?      ? 
1 1 1   11   25   31 o  140.120   13.086   46.333   7.3578   62.155   15.671   41.859   8.3334  150.603   22.265  129.637   13.755 20.96678 26.17104 
1 1 1   11   25   32 o  244.313   16.653  169.225   19.014  169.303   26.857  169.146   26.922  244.445   23.509  244.181   23.592 0.2636414 33.30528 
1 1 1   11   25   33 o   53.386   12.551   7.0099   3.5843   10.070   5.9390   5.2567   4.4952   60.361   18.923   46.411   16.494 13.94974 25.10282 
1 1 1   11   25   34 o   68.591   12.134   12.827   3.8509   13.965   5.8878   11.976   5.0908   70.916   17.794   66.266   16.501 4.649872 24.26766 
1 1 1   11   25   35 o   55.405   12.137   8.3155   3.4771   7.4417   5.2504   8.9982   4.6407   53.096   17.877   57.714   16.421 -4.617924 24.27440 
1 1 1   11   25   36 o  139.326   11.388   51.211   7.3189   58.357   10.206   43.645   10.502  150.858   14.475  127.795   17.583 23.06288 22.77515 
1 1 1   11   25   37 o  108.017   12.033   31.661   6.0739   32.080   8.5781   31.238   8.6014  108.874   16.859  107.159   17.175 1.715416 24.06652 
1 1 1   11   25   38 o   74.828   17.630   18.243   6.9855   23.588   11.745   15.319   8.6893   80.901   26.727   68.755   22.999 12.14572 35.26040 
1 1 1   11   25   39 o   72.698   18.242   19.126   7.8840   16.313   11.573   21.562   10.770   67.624   26.006   77.773   25.588 -10.14851 36.48423 
1 1 1   11   25   40 o   55.214   15.289   8.6785   5.2584   9.5451   10.723   8.4042   6.0337   56.907   23.880   53.522   19.100 3.384899 30.57880 
1 1 1   11   25   41 o   54.497   23.226   8.0241   10.408   8.0241   10.408   0.0000   0.0000   54.497   23.226  ?   ?       ?      ? 
1 1 1   11   25   42 o   44.377   17.646   4.7286   5.4783   0.0000   0.0000   4.7286   5.4783  ?   ?    44.377   17.646      ?      ? 
1 1 1   11   25   43 o   55.247   15.300   10.149   5.6452   10.824   6.6521   8.4120   10.672   57.412   20.096   53.082   23.077 4.329445 30.60021 
1 1 1   11   26    0 o   30.813   12.790   2.7660   4.3939   2.7660   4.3939   2.7660   4.3939   30.813   18.087   30.813   18.087 -0.000000 0.000000 
1 1 1   11   26    1 o  149.462   11.437   55.313   7.9278   62.693   11.203   47.910   11.220  160.050   14.977  138.874   17.288 21.17590 22.87343 
1 1 1   11   26    2 o   56.275   11.944   7.9708   3.4262   9.2988   4.7868   6.5757   4.9062   60.353   16.499   52.197   17.275 8.155262 23.88812 
1 1 1   11   26    3 o   95.878   11.900   21.461   5.0469   29.949   8.6590   17.094   6.2109  109.945   16.852   81.810   16.807 28.13497 23.80025 
1 1 1   11   26    4 o  111.893   21.967   33.080   11.077   0.0000   0.0000   33.080   11.077  ?   ?   111.893   21.967      ?      ? 
1 1 1   11   26    5 o  143.285   22.471   53.169   15.048   0.0000   0.0000   53.169   15.048  ?   ?   143.285   22.471      ?      ? 
1 1 1   11   26   10 o  182.310   26.842   90.169   22.870   90.169   22.870   0.0000   0.0000  182.310   26.842  ?   ?       ?      ? 
1 1 1   11   26   11 o   73.083   21.664   14.159   7.9287   14.159   7.9287   0.0000   0.0000   73.083   21.664  ?   ?       ?      ? 
1 1 1   11   26   12 o   87.571   22.567   20.719   9.2937   20.719   9.2937   0.0000   0.0000   87.571   22.567  ?   ?       ?      ? 
1 1 1   11   26   13 o   98.996   15.607   26.273   7.0675   21.622   9.8284   31.253   10.170   89.045   23.335  108.947   20.732 -19.90215 31.21455 
1 1 1   11   26   14 f  108.357   17.078   32.396   8.4354   28.605   12.284   35.778   11.604  101.018   25.898  115.696   22.268 -14.67789 34.15565 
1 1 1   11   26   15 o   43.280   12.500   2.5115   3.7508   1.4054   7.0213   2.9532   4.4370   45.260   19.175   41.300   16.042 3.959465 25.00010 
1 1 1   11   26   16 o  118.134   13.488   35.114   5.9765   37.524   12.737   34.434   6.7678  117.049   24.087  119.219   12.147 -2.170654 26.97597 
1 1 1   11   26   17 o   96.920   12.701   22.637   4.8297   27.181   10.059   21.275   5.5060  100.289   22.060   93.551   12.593 6.738098 25.40165 
1 1 1   11   26   18 o  128.589   12.156   38.753   6.2815   47.546   13.164   36.161   7.1477  135.243   20.827  121.936   12.543 13.30676 24.31215 
1 1 1   11   26   19 o   46.327   12.884   3.9452   3.5644   1.8843   8.1041   4.4395   3.9688   48.461   20.570   44.193   15.519 4.268200 25.76726 
1 1 1   11   26   20 o  164.055   16.034   73.254   9.7497   68.614   20.066   74.688   11.155  153.674   29.002  174.436   13.683 -20.76193 32.06789 
1 1 1   11   26   21 o  160.615   14.185   64.818   9.0539   71.140   18.670   62.875   10.353  161.375   24.755  159.854   13.858 1.520721 28.37007 
1 1 1   11   26   22 o  221.425   20.042  127.818   20.740   0.0000   0.0000  127.818   20.740  ?   ?   221.425   20.042      ?      ? 
1 1 1   11   26   23 o   58.629   15.105   8.1348   4.9548   8.6313   9.6360   7.9563   5.7771   61.285   23.686   55.972   18.753 5.313454 30.21063 
1 1 1   11   26   24 o   53.913   14.620   6.2766   5.0573   7.2282   8.1363   5.6775   6.4560   56.657   21.802   51.168   19.484 5.488445 29.23963 
1 1 1   11   26   25 o   91.896   14.858   21.993   5.4434   25.212   11.693   21.102   6.1505   91.915   26.036   91.877   14.324 0.3849030E-01 29.71573 
1 1 1   11   26   26 o  174.809   14.443   76.355   11.800   0.0000   0.0000   76.355   11.800  ?   ?   174.809   14.443      ?      ? 
1 1 1   11   26   27 o   72.616   16.448   13.887   5.4526   0.0000   0.0000   13.887   5.4526  ?   ?    72.616   16.448      ?      ? 
1 1 1   11   26   28 o  120.803   16.956   37.641   9.5732   0.0000   0.0000   37.641   9.5732  ?   ?   120.803   16.956      ?      ? 
1 1 1   11   26   29 o  186.175   16.931   94.546   13.961  116.215   24.686   84.357   16.928  196.598   26.867  175.752   20.609 20.84586 33.86103 
1 1 1   11   26   30 o   74.265   16.012   13.077   8.2745   32.565   11.434  -8.3509   11.990  103.950   24.018   44.581   21.183 59.36901 32.02493 
1 1 1   11   26   31 o  124.629   20.212   51.041   11.618   40.985   15.906   62.540   17.010  108.372   30.251  140.885   26.814 -32.51286 40.42402 
1 1 1   11   26   32 o   51.705   15.496   4.0207   6.2785   5.6082   10.406   3.1120   7.8728   55.453   23.410   47.958   20.310 7.494606 30.99273 
1 1 1   11   26   33 o  113.373   12.332   34.270   6.5185   35.175   9.0171   33.279   9.4341  115.519   16.702  111.227   18.149 4.291962 24.66450 
1 1 1   11   26   34 o   75.997   13.345   16.345   4.7187   13.624   6.2889   19.850   7.1378   68.617   18.974   83.378   18.770 -14.76170 26.68982 
1 1 1   11   26   35 o   98.150   14.652   23.597   6.5858   51.210   12.202   12.247   7.8232  133.365   19.577   62.935   21.806 70.43020 29.30463 
1 1 1   11   26   36 o  103.855   17.053   34.928   7.8143   35.930   14.036   34.477   9.4071   97.408   28.813  110.302   18.249 -12.89320 34.10559 
1 1 1   11   26   37 o   67.176   14.694   14.165   4.5604   13.278   11.131   14.344   4.9992   62.530   25.056   71.822   15.359 -9.291821 29.38893 
1 1 1   11   26   38 o   69.605   15.606   16.945   5.8317   12.304   11.494   18.554   6.7676   60.524   25.005   78.686   18.682 -18.16174 31.21289 
1 1 1   11   26   39 o   71.045   15.622   14.906   5.2561   22.609   10.105   12.049   6.1542   79.565   24.641   62.525   19.208 17.03957 31.24299 
1 1 1   11   26   40 o   56.311   14.994   8.1224   4.9888   4.6767   5.8771   17.007   9.4374   44.495   18.073   68.127   23.931 -23.63215 29.98848 
1 1 1   11   26   41 o   69.037   16.112   15.833   6.2159   9.1579   7.8655   26.937   10.144   53.159   21.142   84.915   24.319 -31.75544 32.22393 
1 1 1   11   27    0 o  164.583   11.297   66.932   12.023   66.932   12.023   66.932   12.023  164.583   15.977  164.583   15.977 -0.000000 0.000000 
1 1 1   11   27    1 o   64.633   12.286   10.746   3.8520   8.1732   5.3437   13.529   5.5578   56.896   17.966   72.369   16.762 -15.47353 24.57128 
1 1 1   11   27    2 o  199.202   12.520   99.757   11.654   97.575   16.475  101.943   16.487  196.862   17.907  201.543   17.504 -4.680923 25.04096 
1 1 1   11   27    3 o   71.576   12.753   13.376   4.2632   13.089   5.9422   13.681   6.1199   70.812   17.936   72.339   18.136 -1.527473 25.50696 
1 1 1   11   27    4 o   69.360   13.052   13.691   4.5479   17.419   5.5818   6.3299   7.8439   83.034   14.933   55.686   21.412 27.34786 26.10469 
1 1 1   11   27    5 o  134.802   18.186   50.130   11.150   41.014   15.684   59.447   15.856  119.221   28.529  150.383   22.560 -31.16228 36.37149 
1 1 1   11   27    6 o  221.223   19.310  137.284   18.355  127.314   31.755  142.286   22.494  207.564   32.735  234.883   20.491 -27.31897 38.61961 
1 1 1   11   27    7 o   96.051   14.255   23.512   5.8267   27.043   10.499   21.940   7.0045   99.574   23.021   92.528   16.817 7.046486 28.50926 
1 1 1   11   27    8 o  225.684   19.836  146.189   19.063  127.905   32.718  155.586   23.456  205.922   33.997  245.446   20.448 -39.52409 39.67270 
1 1 1   11   27    9 o  228.111   16.824  131.514   15.740  155.998   31.511  123.375   18.169  234.960   28.696  221.262   17.570 13.69783 33.64806 
1 1 1   11   27   10 o  235.227   17.538  141.561   16.938  168.110   33.808  132.665   19.571  241.840   29.913  228.615   18.317 13.22560 35.07533 
1 1 1   11   27   11 f  138.737   13.006   46.142   8.1694   61.480   13.802   37.870   10.136  155.063   19.045  122.411   17.717 32.65179 26.01185 
1 1 1   11   27   12 o  179.005   18.102   89.084   13.690   83.928   23.355   91.782   16.896  168.691   30.758  189.319   19.097 -20.62747 36.20405 
1 1 1   11   27   13 o   97.055   15.134   24.661   6.6475   31.986   10.360   19.535   8.6668  109.424   21.023   84.686   21.776 24.73781 30.26796 
1 1 1   11   27   14 o  183.529   15.980   86.912   13.115   99.106   22.484   80.622   16.147  190.187   25.296  176.870   19.535 13.31670 31.96033 
1 1 1   11   27   15 o   53.038   14.197   3.7616   5.0012   11.599   8.2461  -0.7985   6.2900   66.504   22.404   39.572   17.445 26.93287 28.39489 
1 1 1   11   27   16 o  117.119   15.377   38.838   7.7234   29.444   12.635   44.441   9.7588  100.857   26.471  133.382   15.655 -32.52469 30.75406 
1 1 1   11   27   17 o   71.024   15.612   12.640   5.6256   18.818   9.4086   9.2023   7.0184   81.913   23.408   60.135   20.664 21.77819 31.22413 
1 1 1   11   27   18 o  168.234   18.111   72.904   14.240   0.0000   0.0000   72.904   14.240  ?   ?   168.234   18.111      ?      ? 
1 1 1   11   27   19 o  121.415   16.807   37.661   9.5366   0.0000   0.0000   37.661   9.5366  ?   ?   121.415   16.807      ?      ? 
1 1 1   11   27   20 o   49.233   14.161   3.7058   4.7278   5.8293   8.7285   2.8241   5.6243   54.958   22.129   43.507   17.677 11.45140 28.32255 
1 1 1   11   27   21 o  157.686   15.389   66.556   10.676   69.674   18.470   64.991   13.083  156.710   25.218  158.663   17.643 -1.953506 30.77768 
1 1 1   11   27   22 o   45.292   13.300   2.6046   4.6219  -3.4281   8.8485   4.8681   5.4200   42.989   19.660   47.596   17.917 -4.606934 26.59930 
1 1 1   11   27   23 o   49.408   14.679   3.0038   5.6784   3.4436   8.7665   2.6859   7.4534   51.318   21.566   47.497   19.919 3.821186 29.35744 
1 1 1   11   27   24 o   53.674   19.362   7.0622   6.2166   0.0000   0.0000   7.0622   6.2166  ?   ?    53.674   19.362      ?      ? 
1 1 1   11   27   25 o   58.492   14.587   9.0468   5.3924   1.4898   9.4618   12.682   6.5625   49.384   21.593   67.601   19.618 -18.21741 29.17462 
1 1 1   11   27   26 o   52.928   13.639   7.0575   4.7526  -0.9984   8.9955   10.177   5.5975   45.021   20.282   60.835   18.242 -15.81479 27.27900 
1 1 1   11   27   27 o   69.148   12.721   7.0691   5.2069   30.189   9.1892  -3.8649   6.3193  103.658   19.688   34.637   16.113 69.02022 25.44121 
1 1 1   11   27   28 o  173.146   16.036   82.195   12.213  101.347   21.887   73.536   14.717  182.316   25.688  163.977   19.204 18.33830 32.07284 
1 1 1   11   27   29 o   55.174   14.892   2.8252   5.5134   16.810   9.9738  -3.3285   6.6162   74.076   24.637   36.273   16.738 37.80256 29.78483 
1 1 1   11   27   30 o  141.423   21.523   68.502   14.163   54.039   19.860   83.472   20.204  119.103   33.999  163.743   26.402 -44.63954 43.04620 
1 1 1   11   27   31 o   68.722   25.999   15.584   11.448   0.0000   0.0000   15.584   11.448  ?   ?    68.722   25.999      ?      ? 
1 1 1   11   27   32 o  121.992   18.640   56.780   13.031   93.471   18.058   16.912   18.823  175.798   21.979   68.186   30.113 107.6127 37.28077 
1 1 1   11   27   33 o  123.344   20.216   56.410   11.982   42.493   17.135   69.726   16.761   99.648   32.247  147.040   24.390 -47.39249 40.43218 
1 1 1   11   27   34 o   59.972   13.826   11.912   4.7132   3.1766   10.813   13.960   5.2368   49.779   22.348   70.166   16.284 -20.38629 27.65167 
1 1 1   11   27   35 o   42.223   12.689   3.2384   3.9485  -3.7393   10.015   4.5226   4.2965   41.840   19.724   42.606   15.969 -0.7666931 25.37798 
1 1 1   11   27   36 o   54.408   14.561   9.0707   5.2265   2.7261   10.785   11.018   5.9751   48.772   22.068   60.044   19.002 -11.27235 29.12184 
1 1 1   11   27   37 o   65.250   13.307   12.729   4.0888   14.504   7.2392   11.897   4.9549   66.614   20.894   63.887   16.485 2.727013 26.61379 
1 1 1   11   27   38 o   50.135   11.494   4.6309   4.0489  -4.5383   5.5298   15.228   5.9447   29.973   14.282   70.297   18.013 -40.32420 22.98806 
1 1 1   11   28    0 o   98.050   9.6827   24.255   5.9245   24.255   5.9245   24.255   5.9245   98.050   13.693   98.050   13.693 -0.000000 0.000000 
1 1 1   11   28    1 o  163.158   11.669   66.816   8.8976   66.051   12.531   67.595   12.636  162.196   16.531  164.120   16.474 -1.923874 23.33816 
1 1 1   11   28    2 o  195.499   13.283   97.939   12.128  101.786   17.159   94.097   17.146  199.700   18.385  191.298   19.178 8.401901 26.56696 
1 1 1   11   28    3 o  109.006   11.108   29.724   5.6236   26.080   7.9370   33.397   7.9692  101.839   16.676  116.172   14.678 -14.33353 22.21582 
1 1 1   11   28    4 o   73.288   13.250   15.011   4.7246   9.1764   7.4796   18.885   6.0943   60.671   21.305   85.905   15.761 -25.23429 26.50071 
1 1 1   11   28    5 o  145.735   13.496   52.902   8.9235   62.134   14.884   47.722   11.149  154.197   20.654  137.272   17.379 16.92482 26.99290 
1 1 1   11   28    6 o   41.362   11.385   2.4925   3.5737 -12.1955   8.3685   5.7685   3.9522   34.448   16.705   48.276   15.473 -13.82814 22.76983 
1 1 1   11   28    7 o   48.615   16.013   5.7955   4.2172   0.0000   0.0000   5.7955   4.2172  ?   ?    48.615   16.013      ?      ? 
1 1 1   11   28    8 o  102.394   16.743   26.484   8.0121   0.0000   0.0000   26.484   8.0121  ?   ?   102.394   16.743      ?      ? 
1 1 1   11   28    9 o   36.896   15.815   0.4036   4.8754   0.0000   0.0000   0.4036   4.8754  ?   ?    36.896   15.815      ?      ? 
1 1 1   11   28   10 o   46.926   17.801   4.5401   5.3753   0.0000   0.0000   4.5401   5.3753  ?   ?    46.926   17.801      ?      ? 
1 1 1   11   28   11 o  145.039   18.770   72.541   11.310   31.717   19.309   93.861   13.954   96.882   34.211  193.196   15.455 -96.31308 37.53992 
1 1 1   11   28   12 o   72.357   12.591   16.620   4.6465   3.0102   9.2182   21.256   5.3799   51.659   21.933   93.056   12.371 -41.39714 25.18114 
1 1 1   11   28   13 o   67.744   12.658   13.542   4.4010   5.0010   8.2545   16.935   5.2021   52.849   21.435   82.639   13.469 -29.79041 25.31609 
1 1 1   11   28   14 o   45.238   13.537   1.2002   4.8312   4.9871   7.9355  -1.0300   6.0899   52.251   21.078   38.225   16.992 14.02601 27.07468 
1 1 1   11   28   15 o  115.002   15.568   36.600   7.7025   35.420   13.225   37.205   9.4755  109.436   26.204  120.569   16.816 -11.13277 31.13584 
1 1 1   11   28   16 o  118.253   14.040   36.568   7.1976   39.767   12.327   34.912   8.8660  119.265   22.948  117.241   16.181 2.024124 28.07926 
1 1 1   11   28   17 o   78.635   14.185   16.341   4.6655   17.879   9.6529   15.872   5.3294   78.851   24.026   78.420   15.089 0.4312210 28.37094 
1 1 1   11   28   18 o   75.176   15.231   15.903   5.4858   14.910   9.5111   16.398   6.7154   72.473   24.056   77.878   18.689 -5.404762 30.46281 
1 1 1   11   28   19 o  103.818   13.509   27.218   6.0386   35.860   10.598   23.063   7.3481  114.405   20.578   93.231   17.507 21.17416 27.01771 
1 1 1   11   28   20 o  101.902   14.469   30.818   5.6943   23.941   11.657   32.974   6.5259   88.203   26.296  115.601   12.079 -27.39721 28.93793 
1 1 1   11   28   21 o   63.728   14.069   7.1946   4.0280   21.024   9.2975   3.9993   4.4692   84.358   22.966   43.098   16.259 41.25999 28.13881 
1 1 1   11   28   22 o   56.103   14.059   7.7449   3.8860   9.0455   9.2670   7.4674   4.2805   59.302   23.142   52.904   15.972 6.398262 28.11846 
1 1 1   11   28   23 o  152.585   13.952   60.382   8.7771   73.679   17.479   55.899   10.149  157.878   23.690  147.291   14.744 10.58730 27.90317 
1 1 1   11   28   24 o   87.533   12.953   15.295   4.7523   37.045   10.204   9.2701   5.3703  116.933   18.671   58.133   17.957 58.80000 25.90507 
1 1 1   11   28   25 o   78.419   13.767   13.125   4.1150   26.466   9.9099   10.346   4.5234   94.707   22.688   62.131   15.601 32.57572 27.53390 
1 1 1   11   28   26 o   63.108   13.889   10.992   4.1787   11.259   8.4494   10.906   4.8079   62.824   22.583   63.392   16.175 -0.5685654 27.77822 
1 1 1   11   28   27 o   77.652   15.175   18.486   5.6065   16.968   9.5683   19.280   6.9186   72.807   24.127   82.497   18.412 -9.689423 30.34930 
1 1 1   11   28   28 o   78.816   14.105   20.262   4.7366   13.964   11.219   21.628   5.2251   65.363   25.475   92.268   12.117 -26.90540 28.20969 
1 1 1   11   28   29 o  152.919   16.732   69.623   9.6877   79.338   19.942   66.622   11.083  147.702   29.915  158.135   14.997 -10.43256 33.46328 
1 1 1   11   28   30 o   84.944   15.402   20.585   5.1928   27.425   11.847   18.958   5.7774   86.875   26.643   83.012   15.461 3.862808 30.80437 
1 1 1   11   28   31 o   91.683   16.050   29.517   6.9691   22.157   12.713   32.679   8.3327   74.808   27.580  108.558   16.424 -33.74941 32.09977 
1 1 1   11   28   32 o   56.063   14.564   6.9748   5.0490   17.582   8.8920   1.9276   6.1337   71.564   23.236   40.561   17.564 31.00286 29.12782 
1 1 1   11   28   33 o   85.991   16.223   24.985   6.5154   24.119   11.244   25.422   7.9943   80.054   26.136   91.927   19.226 -11.87317 32.44588 
1 1 1   11   28   34 o   38.760   16.790   1.6859   5.6089   0.0000   0.0000   1.6859   5.6089  ?   ?    38.760   16.790      ?      ? 
1 1 1   11   28   35 o   44.688   11.635   3.6472   3.4350   10.536   5.6404  -0.4137   4.3306   57.866   18.478   31.510   14.145 26.35663 23.27042 
1 1 1   11   28   36 o   72.835   16.389   19.356   6.2390   16.872   8.2409   22.692   9.5497   68.181   22.381   77.489   23.947 -9.308449 32.77772 
1 1 1   11   29    1 o   66.546   14.509   9.0992   5.7638   22.434   9.0504  -0.0000   7.4760   89.523   21.828   43.569   19.119 45.95423 29.01729 
1 1 1   11   29    2 o   64.300   14.709   10.412   4.5373   12.795   9.2121   9.6488   5.2136   68.271   23.662   60.329   17.480 7.942089 29.41865 
1 1 1   11   29    3 o  108.134   9.9157   28.806   4.9135   30.767   7.8445   27.541   6.3031  110.551   15.183  105.716   12.758 4.834740 19.83137 
1 1 1   11   29    4 o  230.053   13.181  139.160   13.744  131.878   21.794  143.969   17.711  221.750   21.029  238.357   15.899 -16.60623 26.36281 
1 1 1   11   29    5 o   79.009   12.840   17.807   4.4240   12.835   8.2888   19.788   5.2314   68.289   22.447   89.729   12.475 -21.44035 25.68085 
1 1 1   11   29    6 o   63.386   12.975   10.344   3.8630   11.990   6.8578   9.5790   4.6753   66.409   20.254   60.363   16.224 6.046070 25.95087 
1 1 1   11   29    7 o  124.036   13.525   38.976   6.5157   44.046   13.355   37.393   7.4645  124.966   23.735  123.106   12.974 1.860092 27.04920 
1 1 1   11   29    8 o  195.330   24.184  146.790   17.138   78.219   34.023  170.104   19.839  132.223   45.494  258.438   16.425 -126.2143 48.36841 
1 1 1   11   29    9 o  166.909   20.014  102.176   11.940   47.098   23.366  121.640   13.890  112.266   37.714  221.553   13.415 -109.2876 40.02873 
1 1 1   11   29   10 o   60.885   13.255   10.507   4.2862   4.6866   8.1821   12.709   5.0318   52.147   21.269   69.622   15.824 -17.47470 26.50954 
1 1 1   11   29   11 o   68.835   14.079   12.804   4.4851   12.982   8.5582   12.736   5.2661   68.314   22.825   69.355   16.489 -1.041267 28.15760 
1 1 1   11   29   12 o  139.423   14.690   53.527   7.9234   50.674   15.441   54.546   9.2313  130.778   26.178  148.068   13.340 -17.28932 29.38072 
1 1 1   11   29   13 o  150.324   18.067   71.647   10.006   53.126   19.718   78.071   11.612  124.370   33.272  176.279   14.095 -51.90888 36.13460 
1 1 1   11   29   14 o   62.059   14.755   10.616   4.9776   9.2566   8.5946   11.302   6.1058   60.027   22.568   64.091   19.014 -4.063896 29.51057 
1 1 1   11   29   15 o   54.013   13.829   7.0043   4.0260   8.2050   8.2772   6.6321   4.6077   57.423   22.015   50.604   16.741 6.818508 27.65757 
1 1 1   11   29   16 o   64.335   13.628   12.000   4.2675   9.2109   8.4773   12.946   4.9390   59.074   22.367   69.595   15.574 -10.52181 27.25522 
1 1 1   11   29   17 o   34.430   11.183  -2.4684   4.0071  -3.5777   6.5728  -1.8122   5.0551   35.727   16.555   33.133   15.039 2.593536 22.36608 
1 1 1   11   29   18 o   53.233   12.452   6.4003   4.7516  -7.1524   8.0435   13.665   5.8890   36.375   17.303   70.091   17.911 -33.71548 24.90403 
1 1 1   11   29   19 o   50.086   13.198   6.0943   3.8502   4.0904   8.0399   6.6906   4.3858   49.696   20.753   50.475   16.312 -0.7795677 26.39646 
1 1 1   11   29   20 o   89.381   12.760   18.810   4.7264   30.731   9.2542   14.603   5.4975  105.138   19.553   73.624   16.398 31.51479 25.51908 
1 1 1   11   29   21 o  104.700   13.010   24.827   5.5227   42.105   11.757   19.935   6.2559  122.976   20.457   86.425   16.080 36.55032 26.02001 
1 1 1   11   29   22 o   63.621   14.443   12.171   4.8061   8.2542   9.6834   13.451   5.5361   57.570   23.263   69.672   17.124 -12.10173 28.88614 
1 1 1   11   29   23 o   94.961   13.350   21.046   4.9963   37.360   10.776   16.578   5.6390  112.136   21.341   77.785   16.045 34.35132 26.69986 
1 1 1   11   29   24 o  133.606   14.464   49.161   7.3501   58.152   15.391   46.505   8.3656  133.170   25.660  134.042   13.354 -0.8721771 28.92732 
1 1 1   11   29   25 o   88.800   14.183   21.166   4.9413   28.168   10.866   19.341   5.5483   91.610   24.780   85.990   13.806 5.620064 28.36631 
1 1 1   11   29   26 o   94.467   16.069   29.912   6.9963   24.638   12.338   32.412   8.4941   80.701   27.403  108.234   16.792 -27.53374 32.13874 
1 1 1   11   29   27 o   90.915   14.544   24.813   5.2215   26.324   11.301   24.403   5.8876   85.118   26.009   96.712   13.026 -11.59405 29.08832 
1 1 1   11   29   28 o   40.516   12.036   2.8665   3.7300  -5.8220   9.0689   4.6356   4.0922   38.355   18.280   42.677   15.660 -4.322380 24.07120 
1 1 1   11   29   29 o   56.640   13.469   10.303   4.2717   3.7267   10.056   11.751   4.7185   48.998   21.806   64.282   15.815 -15.28305 26.93703 
1 1 1   11   29   30 o  115.708   13.355   35.395   7.2220   0.0000   0.0000   35.395   7.2220  ?   ?   115.708   13.355      ?      ? 
1 1 1   11   29   31 f   57.060   17.013   9.7203   4.8792   0.0000   0.0000   9.7203   4.8792  ?   ?    57.060   17.013      ?      ? 
1 1 1   11   29   32 o   46.313   16.473   6.1570   4.4845   0.0000   0.0000   6.1570   4.4845  ?   ?    46.313   16.473      ?      ? 
1 1 1   11   30    0 f   17.441   8.7293  -4.9185   4.1463  -4.9185   4.1463  -4.9185   4.1463   17.441   12.345   17.441   12.345 -0.000000 0.000000 
1 1 1   11   30    1 o   43.881   11.326   3.5552   3.2682   7.5758   4.7982   0.0756   4.4637   53.440   17.040   34.323   14.923 19.11692 22.65101 
1 1 1   11   30    2 o   42.935   12.702   2.0426   3.3319   4.9535   8.1113   1.4517   3.6545   51.421   21.098   34.449   14.151 16.97205 25.40432 
1 1 1   11   30    3 o   78.060   14.983   15.829   5.2511   23.581   9.7208   12.634   6.2399   88.931   23.160   67.188   19.015 21.74370 29.96595 
1 1 1   11   30    4 o   68.779   15.771   12.700   6.0501   20.769   9.3642   6.9178   7.9267   83.140   23.212   54.417   21.356 28.72351 31.54147 
1 1 1   11   30    5 f   51.728   18.098   6.9118   5.3952   0.0000   0.0000   6.9118   5.3952  ?   ?    51.728   18.098      ?      ? 
1 1 1   11   30    6 o   88.436   12.767   19.642   5.2767   0.0000   0.0000   19.642   5.2767  ?   ?    88.436   12.767      ?      ? 
1 1 1   11   30    7 o  107.465   14.824   34.208   6.1154   29.833   12.498   35.586   7.0122   95.846   26.837  119.084   12.600 -23.23875 29.64706 
1 1 1   11   30    8 o   93.940   14.018   25.467   5.2276   23.220   10.678   26.175   5.9952   85.765   25.065  102.114   12.562 -16.34923 28.03649 
1 1 1   11   30    9 o  113.079   14.608   36.804   6.3677   34.494   12.747   37.572   7.3506  104.047   26.223  122.110   12.880 -18.06299 29.21547 
1 1 1   11   30   10 o   51.293   11.742   6.0155   4.1283  -4.2979   6.6775   12.396   5.2523   35.251   16.453   67.335   16.757 -32.08454 23.48425 
1 1 1   11   30   11 o  143.995   13.063   52.239   8.7907   0.0000   0.0000   52.239   8.7907  ?   ?   143.995   13.063      ?      ? 
1 1 1   11   30   12 o   56.628   13.156   8.9315   4.0669   5.8704   7.2543   10.335   4.9114   51.593   20.371   61.662   16.652 -10.06867 26.31132 
1 1 1   11   30   13 o   98.080   14.356   32.104   5.8324   16.483   11.349   37.711   6.7990   72.874   26.175  123.287   11.800 -50.41280 28.71152 
1 1 1   11   30   14 o   94.519   15.270   25.598   6.3820   27.009   10.737   24.827   7.9361   94.087   24.262   94.951   18.549 -0.8647842 30.54017 
1 1 1   11   30   15 o  157.634   13.482   63.023   9.9323   0.0000   0.0000   63.023   9.9323  ?   ?   157.634   13.482      ?      ? 
1 1 1   11   30   16 o   72.331   19.633   15.146   6.8067   0.0000   0.0000   15.146   6.8067  ?   ?    72.331   19.633      ?      ? 
1 1 1   11   30   17 o  121.703   16.383   39.737   9.3183   0.0000   0.0000   39.737   9.3183  ?   ?   121.703   16.383      ?      ? 
1 1 1   11   30   18 o   95.007   18.851   31.359   8.7666   34.139   12.234   28.424   12.569  100.927   25.829   89.087   27.464 11.84029 37.70102 
1 1 1   11   30   19 o   39.715   12.593  -1.2031   4.9306   3.1543   7.2944  -4.8688   6.6905   45.432   19.405   33.999   16.056 11.43332 25.18665 
1 1 1   11   30   20 o   39.463   12.132   0.9378   3.4770   4.2081   7.4960   0.0413   3.9247   47.238   19.902   31.688   13.880 15.54982 24.26386 
1 1 1   11   30   21 o   37.455   11.544   1.2442   3.4067  -0.0022   6.9747   1.6347   3.9041   40.033   17.962   34.876   14.504 5.157536 23.08713 
1 1 1   11   30   22 o  131.913   12.712   43.600   6.9506   64.424   14.265   37.117   7.9593  145.834   20.930  117.992   14.434 27.84203 25.42448 
1 1 1   11   30   23 o   76.014   12.101   10.975   5.2348   37.667   9.4079  -0.9955   6.3003  115.197   17.475   36.831   16.745 78.36593 24.20245 
1 1 1   11   30   24 o   99.303   15.011   30.226   5.9041   31.945   12.236   29.704   6.7407   92.670   26.758  105.936   13.615 -13.26584 30.02275 
1 1 1   11   30   25 o   46.065   13.281   4.8365   4.6357  -0.5346   8.6673   6.9886   5.4864   42.306   19.388   49.823   18.156 -7.517239 26.56175 
1 1 1   11   30   26 o   73.723   15.539   15.316   5.1850   0.0000   0.0000   15.316   5.1850  ?   ?    73.723   15.539      ?      ? 
1 1 1   11   30   27 o   85.967   17.793   21.987   6.9132   0.0000   0.0000   21.987   6.9132  ?   ?    85.967   17.793      ?      ? 
1 1 1   11   30   28 o  102.843   16.129   30.287   7.7524   0.0000   0.0000   30.287   7.7524  ?   ?   102.843   16.129      ?      ? 
1 1 1   11   30   29 o   56.927   19.936   10.762   6.5470   0.0000   0.0000   10.762   6.5470  ?   ?    56.927   19.936      ?      ? 
1 1 1   11   31    0 o   53.707   15.896   10.337   5.6574   10.337   5.6574   10.337   5.6574   53.707   22.480   53.707   22.480 -0.000000 0.000000 
1 1 1   11   31    1 o  113.906   12.210   35.051   6.3013   30.839   8.9350   39.218   8.8880  105.253   18.857  122.560   15.517 -17.30740 24.42052 
1 1 1   11   31    2 o  122.588   12.181   37.675   6.9784   0.0000   0.0000   37.675   6.9784  ?   ?   122.588   12.181      ?      ? 
1 1 1   11   31    3 o  103.854   15.392   35.031   6.2251   24.942   13.076   37.988   7.0787   84.772   28.210  122.935   12.321 -38.16280 30.78317 
1 1 1   11   31    4 o   94.084   13.357   22.554   5.8730   0.0000   0.0000   22.554   5.8730  ?   ?    94.084   13.357      ?      ? 
1 1 1   11   31    5 o   83.907   13.461   18.002   5.2786   0.0000   0.0000   18.002   5.2786  ?   ?    83.907   13.461      ?      ? 
1 1 1   11   31    6 o  103.613   12.784   27.280   6.1906   0.0000   0.0000   27.280   6.1906  ?   ?   103.613   12.784      ?      ? 
1 1 1   11   31    7 o   63.001   15.569   10.867   4.5576   0.0000   0.0000   10.867   4.5576  ?   ?    63.001   15.569      ?      ? 
1 1 1   11   31    8 o  175.166   17.664   95.720   11.437   92.699   22.957   96.717   13.191  158.318   32.126  192.015   14.699 -33.69716 35.32872 
1 1 1   11   31    9 o  109.421   13.621   31.401   6.1330   41.700   11.954   27.721   7.1451  116.390   22.791  102.451   14.923 13.93907 27.24209 
1 1 1   11   31   10 o   41.490   12.423   2.2517   4.2256  -0.5529   6.8136   4.0046   5.3866   39.276   17.677   43.704   17.459 -4.428421 24.84558 
1 1 1   11   31   11 o   77.075   15.962   16.422   5.5605   0.0000   0.0000   16.422   5.5605  ?   ?    77.075   15.962      ?      ? 
1 1 1   11   31   12 o  150.251   19.053   77.806   10.773   68.866   21.301   80.878   12.488  126.787   34.864  173.714   15.382 -46.92755 38.10616 
1 1 1   11   31   13 o   60.834   18.238   10.838   5.5954   0.0000   0.0000   10.838   5.5954  ?   ?    60.834   18.238      ?      ? 
1 1 1   11   31   14 o   80.389   15.101   19.763   5.6625   22.944   9.0988   17.753   7.2341   84.395   22.612   76.382   20.021 8.012955 30.20202 
1 1 1   11   31   15 o   61.243   12.228   5.4829   3.7118   23.924   8.0127   0.4442   4.1883   89.269   19.731   33.217   14.449 56.05124 24.45562 
1 1 1   11   31   16 o   46.526   13.062   4.9404   3.7123   5.9618   7.9823   4.6585   4.1934   50.061   20.773   42.991   15.841 7.070103 26.12368 
1 1 1   11   31   17 o   40.588   11.564   3.5370   3.2113  -2.7041   7.8095   4.8070   3.5229   38.472   17.902   42.704   14.642 -4.231773 23.12719 
1 1 1   11   31   18 o  108.957   16.237   38.018   7.7483   39.949   13.307   37.027   9.5307  104.426   27.049  113.487   17.969 -9.060661 32.47395 
1 1 1   11   31   19 o   55.779   15.403   9.2568   5.9610   12.413   8.3044   5.9015   8.5619   61.388   22.342   50.170   21.210 11.21819 30.80631 
1 1 1   11   31   20 o   78.324   13.609   19.358   4.6106   16.754   9.4728   20.167   5.2779   68.846   23.987   87.803   12.862 -18.95687 27.21794 
1 1 1   11   31   21 o   75.937   15.765   16.310   5.4119   0.0000   0.0000   16.310   5.4119  ?   ?    75.937   15.765      ?      ? 
1 1 1   11   31   22 o   62.605   17.423   11.776   5.2847   0.0000   0.0000   11.776   5.2847  ?   ?    62.605   17.423      ?      ? 
1 1 1   11   31   23 o   47.649   17.402   6.5586   5.0446   0.0000   0.0000   6.5586   5.0446  ?   ?    47.649   17.402      ?      ? 
1 1 1   11   31   24 o   85.297   17.473   21.929   6.7313   0.0000   0.0000   21.929   6.7313  ?   ?    85.297   17.473      ?      ? 
1 1 1   11   32    0 o   21.493   10.751  -6.5166   6.2599  -6.5166   6.2599  -6.5166   6.2599   21.493   15.205   21.493   15.205 -0.000000 0.000000 
1 1 1   11   32    1 o   43.299   18.797   2.3756   7.0611   0.0000   0.0000   2.3756   7.0611  ?   ?    43.299   18.797      ?      ? 
1 1 1   11   32    2 o   97.879   15.879   26.228   7.2639   0.0000   0.0000   26.228   7.2639  ?   ?    97.879   15.879      ?      ? 
1 1 1   11   32    3 o  146.277   12.098   60.053   8.2256   66.397   11.675   53.800   11.591  155.386   16.077  137.168   18.081 18.21809 24.19510 
1 1 1   11   32    4 o   92.747   14.530   25.095   5.9498   32.600   10.026   21.015   7.3923  101.898   21.717   83.597   19.310 18.30060 29.06054 
1 1 1   11   32    5 o   96.349   14.639   29.770   6.1997   24.548   10.645   32.450   7.6264   82.977   25.219  109.722   14.873 -26.74530 29.27777 
1 1 1   11   32    6 o   63.345   12.979   12.408   3.9533   10.310   7.6412   13.174   4.6196   57.620   21.355   69.070   14.759 -11.45019 25.95849 
1 1 1   11   32    7 f   56.830   12.136   10.250   3.8629   3.6831   7.1353   12.972   4.5944   45.191   19.245   68.469   14.790 -23.27762 24.27151 
1 1 1   11   32    8 o   52.791   12.342   5.6597   3.6442   15.009   6.6025   1.5638   4.3702   69.791   19.493   35.791   15.143 33.99993 24.68408 
1 1 1   11   32    9 o  105.099   10.541   30.003   5.1140   28.969   7.7277   30.809   6.8213  102.200   16.179  107.997   13.515 -5.797089 21.08120 
1 1 1   11   32   10 o   58.786   14.236   9.0638   4.8891   17.714   8.0455   3.9993   6.1561   73.441   21.836   44.131   18.271 29.30987 28.47170 
1 1 1   11   32   11 o   49.156   13.270   5.6179   3.6850   9.6780   7.7377   4.4269   4.1908   56.128   21.341   42.183   15.779 13.94449 26.54069 
1 1 1   11   32   12 o   56.597   17.843   9.5070   5.2723   0.0000   0.0000   9.5070   5.2723  ?   ?    56.597   17.843      ?      ? 
1 1 1   11   32   13 o  121.237   28.282   55.002   15.731   0.0000   0.0000   55.002   15.731  ?   ?   121.237   28.282      ?      ? 
1 1 1   11   32   14 o   71.007   23.036   17.453   8.7399   0.0000   0.0000   17.453   8.7399  ?   ?    71.007   23.036      ?      ? 
1 1 1   11   32   15 o  109.231   26.098   43.304   13.141   0.0000   0.0000   43.304   13.141  ?   ?   109.231   26.098      ?      ? 
1 1 1   11   32   16 o   51.280   19.867   7.8435   6.7925   0.0000   0.0000   7.8435   6.7925  ?   ?    51.280   19.867      ?      ? 
1 1 1   11   32   17 o   91.841   16.682   24.680   6.8963   0.0000   0.0000   24.680   6.8963  ?   ?    91.841   16.682      ?      ? 
1 1 1   11   32   18 o   51.103   19.539   8.1071   6.5090   0.0000   0.0000   8.1071   6.5090  ?   ?    51.103   19.539      ?      ? 
1 1 1   11   32   19 o   52.398   19.713   8.7670   6.5598   0.0000   0.0000   8.7670   6.5598  ?   ?    52.398   19.713      ?      ? 
1 1 1   11   33    0 o   30.491   13.768   2.0320   6.1782   2.0320   6.1782   2.0320   6.1782   30.491   19.471   30.491   19.471 -0.000000 0.000000 
1 1 1   11   33    1 o   61.144   21.699   12.754   7.7770   12.754   7.7770   0.0000   0.0000   61.144   21.699  ?   ?       ?      ? 
1 1 1   11   33    2 o   33.997   15.665  -1.6851   5.7630  -1.6851   5.7630   0.0000   0.0000   33.997   15.665  ?   ?       ?      ? 
1 1 1   11   33    3 o   70.617   22.706   17.701   8.5059   17.701   8.5059   0.0000   0.0000   70.617   22.706  ?   ?       ?      ? 
1 1 1   11   33    4 o   53.305   12.372   6.4052   4.4100   16.581   6.5498  -2.0331   5.9644   72.570   19.065   34.041   15.773 38.52921 24.74370 
1 1 1   11   33    5 o   42.654   12.193   3.3606   4.1305  -1.7505   6.0751   7.7545   5.6328   34.611   15.995   50.697   18.408 -16.08561 24.38667 
1 1 1   11   33    6 o   48.400   13.485   6.2267   4.7402   10.039   6.5754   2.1011   6.8398   55.620   19.929   41.181   18.171 14.43900 26.96989 
1 1 1   11   33    7 o   47.113   13.136   5.6591   4.4921   9.5460   6.3409   1.7428   6.3648   54.489   19.566   39.737   17.532 14.75169 26.27145 
1 1 1   11   33    8 o   31.177   10.443  -4.5338   4.0190  -7.3133   5.3305  -0.8724   6.1180   26.740   13.049   35.613   16.309 -8.873037 20.88672 
1 1 1   11   33    9 f   41.553   17.623   3.4147   5.9406   3.4147   5.9406   0.0000   0.0000   41.553   17.623  ?   ?       ?      ? 
1 1 1   11   33   10 o   28.172   13.372  -3.7973   4.7518  -3.7973   4.7518   0.0000   0.0000   28.172   13.372  ?   ?       ?      ? 
1 1 1   12    0    0 o  191.397   18.741   90.692   22.410   90.692   22.410   90.692   22.410  191.397   26.504  191.397   26.504 -0.000000 0.000000 
1 1 1   12    0    1 o  405.802   18.333  392.282   48.711  392.282   48.711  392.282   48.711  405.802   25.927  405.802   25.927 -0.000000 0.000000 
1 1 1   12    0    2 o  368.619   14.460  321.883   34.981  321.883   34.981  321.883   34.981  368.619   20.449  368.619   20.449 -0.000000 0.000000 
1 1 1   12    0    3 o  366.530   16.726  319.747   40.133  319.747   40.133  319.747   40.133  366.530   23.655  366.530   23.655 -0.000000 0.000000 
1 1 1   12    0    4 o   74.224   8.9298   13.959   3.9999   13.959   3.9999   13.959   3.9999   74.224   12.629   74.224   12.629 -0.000000 0.000000 
1 1 1   12    0    5 o  447.064   20.094  476.879   58.824  476.879   58.824  476.879   58.824  447.064   28.417  447.064   28.417 -0.000000 0.000000 
1 1 1   12    0    6 o  646.487   35.954  1022.73  151.438  1022.73  151.438  1022.73  151.438  646.487   50.846  646.487   50.846 -0.000000 0.000000 
1 1 1   12    0    7 o  162.083   11.320   63.341   11.856   63.341   11.856   63.341   11.856  162.083   16.009  162.083   16.009 -0.000000 0.000000 
1 1 1   12    0    8 o   85.511   10.890   18.700   5.5613   18.700   5.5613   18.700   5.5613   85.511   15.401   85.511   15.401 -0.000000 0.000000 
1 1 1   12    0    9 o  195.482   12.561   91.805   15.921   91.805   15.921   91.805   15.921  195.482   17.765  195.482   17.765 -0.000000 0.000000 
1 1 1   12    0   10 o  423.754   19.206  428.307   53.285  428.307   53.285  428.307   53.285  423.754   27.162  423.754   27.162 -0.000000 0.000000 
1 1 1   12    0   11 o  644.125   35.446  1015.05  148.799  1015.05  148.799  1015.05  148.799  644.125   50.128  644.125   50.128 -0.000000 0.000000 
1 1 1   12    0   12 o  205.452   13.062  101.401   17.407  101.401   17.407  101.401   17.407  205.452   18.472  205.452   18.472 -0.000000 0.000000 
1 1 1   12    0   13 o  390.856   21.903  367.893   55.766  367.893   55.766  367.893   55.766  390.856   30.976  390.856   30.976 -0.000000 0.000000 
1 1 1   12    0   14 o  494.620   26.000  591.290   83.916  591.290   83.916  591.290   83.916  494.620   36.769  494.620   36.769 -0.000000 0.000000 
1 1 1   12    0   15 o  822.992   46.848  1707.47  251.028  1707.47  251.028  1707.47  251.028  822.992   66.253  822.992   66.253 -0.000000 0.000000 
1 1 1   12    0   16 o  460.668   39.052  536.581  114.380  536.581  114.380  536.581  114.380  460.668   55.227  460.668   55.227 -0.000000 0.000000 
1 1 1   12    0   17 o  355.148   30.466  314.487   68.711  314.487   68.711  314.487   68.711  355.148   43.086  355.148   43.086 -0.000000 0.000000 
1 1 1   12    0   19 o  178.697   19.333   80.490   21.246   80.490   21.246   80.490   21.246  178.697   27.342  178.697   27.342 -0.000000 0.000000 
1 1 1   12    0   20 o  683.304   39.655  1180.78  176.314  1180.78  176.314  1180.78  176.314  683.304   56.081  683.304   56.081 -0.000000 0.000000 
1 1 1   12    0   21 o  451.453   21.332  492.377   62.999  492.377   62.999  492.377   62.999  451.453   30.168  451.453   30.168 -0.000000 0.000000 
1 1 1   12    0   22 o  279.160   12.599  185.678   23.029  185.678   23.029  185.678   23.029  279.160   17.818  279.160   17.818 -0.000000 0.000000 
1 1 1   12    0   23 o  404.692   18.777  394.117   49.729  394.117   49.729  394.117   49.729  404.692   26.555  404.692   26.555 -0.000000 0.000000 
1 1 1   12    0   24 o  371.163   21.322  335.352   51.512  335.352   51.512  335.352   51.512  371.163   30.154  371.163   30.154 -0.000000 0.000000 
1 1 1   12    0   25 o  104.932   12.167   27.884   7.7565   27.884   7.7565   27.884   7.7565  104.932   17.207  104.932   17.207 -0.000000 0.000000 
1 1 1   12    0   26 o   25.595   11.809  -0.5119   4.8801  -0.5119   4.8801  -0.5119   4.8801   25.595   16.701   25.595   16.701 -0.000000 0.000000 
1 1 1   12    0   27 o   25.195   11.743  -0.9960   5.0121  -0.9960   5.0121  -0.9960   5.0121   25.195   16.608   25.195   16.608 -0.000000 0.000000 
1 1 1   12    0   28 o  163.371   12.129   64.972   12.766   64.972   12.766   64.972   12.766  163.371   17.153  163.371   17.153 -0.000000 0.000000 
1 1 1   12    0   29 o  451.467   26.111  508.646   76.713  508.646   76.713  508.646   76.713  451.467   36.926  451.467   36.926 -0.000000 0.000000 
1 1 1   12    0   30 o   73.196   15.493   15.637   6.5288   15.637   6.5288   15.637   6.5288   73.196   21.910   73.196   21.910 -0.000000 0.000000 
1 1 1   12    0   31 o  173.998   19.206   77.496   20.483   77.496   20.483   77.496   20.483  173.998   27.162  173.998   27.162 -0.000000 0.000000 
1 1 1   12    0   32 o   99.152   19.895   28.437   11.294   28.437   11.294   28.437   11.294   99.152   28.136   99.152   28.136 -0.000000 0.000000 
1 1 1   12    0   33 f  254.859   23.879  166.550   38.253  166.550   38.253  166.550   38.253  254.859   33.770  254.859   33.770 -0.000000 0.000000 
1 1 1   12    0   38 o   72.588   21.089   17.867   10.001   17.867   10.001   17.867   10.001   72.588   29.824   72.588   29.824 -0.000000 0.000000 
1 1 1   12    0   39 o  172.079   12.424   72.558   13.792   72.558   13.792   72.558   13.792  172.079   17.570  172.079   17.570 -0.000000 0.000000 
1 1 1   12    0   40 o  255.625   15.999  161.381   26.543  161.381   26.543  161.381   26.543  255.625   22.625  255.625   22.625 -0.000000 0.000000 
1 1 1   12    0   41 o   78.573   16.016   18.011   7.2142   18.011   7.2142   18.011   7.2142   78.573   22.650   78.573   22.650 -0.000000 0.000000 
1 1 1   12    0   42 o   17.281   8.9049 -13.4282   5.9625 -13.4282   5.9625 -13.4282   5.9625   17.281   12.593   17.281   12.593 -0.000000 0.000000 
1 1 1   12    0   43 o   74.734   16.613   16.809   7.2066   16.809   7.2066   16.809   7.2066   74.734   23.494   74.734   23.494 -0.000000 0.000000 
1 1 1   12    0   44 o   77.818   16.039   17.720   7.1621   17.720   7.1621   17.720   7.1621   77.818   22.682   77.818   22.682 -0.000000 0.000000 
1 1 1   12    0   45 o  139.349   10.318   47.536   9.2640   47.536   9.2640   47.536   9.2640  139.349   14.591  139.349   14.591 -0.000000 0.000000 
1 1 1   12    0   46 o   52.242   15.848   9.3818   5.6004   9.3818   5.6004   9.3818   5.6004   52.242   22.412   52.242   22.412 -0.000000 0.000000 
1 1 1   12    0   47 o   51.890   16.154   9.3513   5.8071   9.3513   5.8071   9.3513   5.8071   51.890   22.846   51.890   22.846 -0.000000 0.000000 
1 1 1   12    0   48 o   53.901   16.266   9.9915   5.9052   9.9915   5.9052   9.9915   5.9052   53.901   23.004   53.901   23.004 -0.000000 0.000000 
1 1 1   12    0   49 o   59.480   16.596   11.814   6.2718   11.814   6.2718   11.814   6.2718   59.480   23.470   59.480   23.470 -0.000000 0.000000 
1 1 1   12    0   50 o  145.917   12.923   53.719   11.934   53.719   11.934   53.719   11.934  145.917   18.276  145.917   18.276 -0.000000 0.000000 
1 1 1   12    0   51 o   62.815   22.655   15.247   11.845   15.247   11.845   15.247   11.845   62.815   32.038   62.815   32.038 -0.000000 0.000000 
1 1 1   12    0   52 o  107.668   15.467   31.483   9.7418   31.483   9.7418   31.483   9.7418  107.668   21.874  107.668   21.874 -0.000000 0.000000 
1 1 1   12    0   53 f  199.535   11.370   97.939   14.771   97.939   14.771   97.939   14.771  199.535   16.080  199.535   16.080 -0.000000 0.000000 
1 1 1   12    0   54 o  218.611   12.133  118.305   17.283  118.305   17.283  118.305   17.283  218.611   17.159  218.611   17.159 -0.000000 0.000000 
1 1 1   12    0   55 o   48.181   16.362   8.6190   6.0168   8.6190   6.0168   8.6190   6.0168   48.181   23.139   48.181   23.139 -0.000000 0.000000 
1 1 1   12    0   56 o   65.481   17.432   14.407   7.0576   14.407   7.0576   14.407   7.0576   65.481   24.652   65.481   24.652 -0.000000 0.000000 
1 1 1   12    0   57 o   39.905   16.728   5.2291   7.6501   5.2291   7.6501   5.2291   7.6501   39.905   23.657   39.905   23.657 -0.000000 0.000000 
1 1 1   12    0   58 o  102.247   17.841   31.182   10.438   31.182   10.438   31.182   10.438  102.247   25.231  102.247   25.231 -0.000000 0.000000 
1 1 1   12    0   59 o   55.038   19.123   12.038   8.2855   12.038   8.2855   12.038   8.2855   55.038   27.044   55.038   27.044 -0.000000 0.000000 
1 1 1   12    0   60 o   21.924   11.125 -11.0548   7.6703 -11.0548   7.6703 -11.0548   7.6703   21.924   15.733   21.924   15.733 -0.000000 0.000000 
1 1 1   12    0   61 o   46.782   19.929   9.1968   11.199   9.1968   11.199   9.1968   11.199   46.782   28.183   46.782   28.183 -0.000000 0.000000 
1 1 1   12    0   62 o   25.392   12.241  -2.3151   6.3473  -2.3151   6.3473  -2.3151   6.3473   25.392   17.311   25.392   17.311 -0.000000 0.000000 
1 1 1   12    0   63 o   21.608   10.926  -9.1045   7.1298  -9.1045   7.1298  -9.1045   7.1298   21.608   15.451   21.608   15.451 -0.000000 0.000000 
1 1 1   12    0   64 o   49.708   18.543   11.383   8.1211   11.383   8.1211   11.383   8.1211   49.708   26.223   49.708   26.223 -0.000000 0.000000 
1 1 1   12    1    0 o  227.153   9.4466  122.053   14.070  122.053   14.070  122.053   14.070  227.153   13.360  227.153   13.360 -0.000000 0.000000 
1 1 1   12    1    1 o  304.095   12.914  218.267   18.140  221.719   24.006  213.673   27.695  307.085   16.727  301.106   19.680 5.978577 25.82856 
1 1 1   12    1    2 o  446.527   21.391  466.246   44.022  530.050   69.626  423.754   56.820  471.075   31.625  421.979   28.812 49.09573 42.78174 
1 1 1   12    1    3 o  306.211   19.210  216.966   24.068  234.802   48.130  211.018   27.792  313.232   32.878  299.190   19.876 14.04187 38.41908 
1 1 1   12    1    4 o  334.825   15.115  264.774   23.637  275.521   33.432  254.032   33.424  341.691   20.936  327.959   21.807 13.73206 30.23029 
1 1 1   12    1    5 o  309.204   13.365  227.228   19.015  212.493   29.023  238.311   25.169  300.095   20.694  318.313   16.919 -18.21848 26.72983 
1 1 1   12    1    6 o   83.928   7.4249   16.721   2.8712   14.751   4.2687   18.349   3.8800   79.332   11.513   88.523   9.3784 -9.190750 14.84972 
1 1 1   12    1    7 o  209.101   9.6805  103.779   9.3021   95.320   14.178  110.172   12.326  201.440   15.060  216.762   12.167 -15.32173 19.36091 
1 1 1   12    1    8 o  375.222   15.735  333.129   27.293  330.504   41.688  335.099   36.107  373.603   23.876  376.842   20.502 -3.238464 31.47018 
1 1 1   12    1    9 o  272.125   11.716  174.133   14.748  174.277   22.523  174.026   19.514  272.099   17.712  272.151   15.342 -0.5197144E-01 23.43259 
1 1 1   12    1   10 o  378.616   16.015  339.663   28.014  334.427   42.796  343.589   37.056  375.703   24.373  381.530   20.782 -5.826843 32.03044 
1 1 1   12    1   11 o  268.354   12.733  169.575   15.970  170.287   22.578  168.862   22.591  268.922   17.965  267.785   18.051 1.137238 25.46701 
1 1 1   12    1   12 o  346.825   15.820  284.522   25.642  285.147   36.254  283.897   36.273  347.212   22.342  346.439   22.403 0.7732239 31.63979 
1 1 1   12    1   13 o  181.405   9.9224   77.554   8.3658   86.972   11.840   68.165   11.822  192.496   13.161  170.314   14.853 22.18211 19.84472 
1 1 1   12    1   14 o  541.337   23.849  708.527   59.961  797.182   84.810  619.927   84.784  576.366   31.485  506.308   35.831 70.05783 47.69868 
1 1 1   12    1   15 o  306.395   15.936  223.905   22.298  215.488   35.137  229.581   28.852  301.053   24.973  311.737   19.804 -10.68420 31.87241 
1 1 1   12    1   16 o  222.601   12.449  115.738   12.748  122.629   20.112  111.111   16.481  227.945   18.879  217.257   16.232 10.68796 24.89791 
1 1 1   12    1   17 o  341.454   24.040  281.997   36.074  283.774   44.220  278.461   62.373  344.912   27.432  337.996   39.486 6.916016 48.08002 
1 1 1   12    1   18 o  263.684   18.547  161.024   21.837  150.573   26.784  181.745   37.715  251.935   22.748  275.432   29.299 -23.49634 37.09335 
1 1 1   12    1   19 o  471.989   36.643  571.519   79.927  662.848  113.189  480.692  112.878  513.219   47.191  430.759   56.070 82.46075 73.28612 
1 1 1   12    1   20 o  231.964   18.161  138.102   16.240  112.705   32.720  146.405   18.707  214.949   32.571  248.978   16.077 -34.02850 36.32274 
1 1 1   12    1   21 o  643.930   37.461  1094.87  112.670  1056.69  159.317  1133.06  159.361  631.254   54.003  656.606   51.932 -25.35162 74.92142 
1 1 1   12    1   22 f  492.332   27.295  606.958   62.798  598.888   88.794  615.033   88.825  488.830   38.867  495.834   38.332 -7.004578 54.58933 
1 1 1   12    1   23 o  451.665   25.583  508.203   53.826  463.448   76.100  553.009   76.143  430.459   37.828  472.871   34.455 -42.41241 51.16692 
1 1 1   12    1   24 o  305.293   16.619  224.350   23.176  221.242   36.702  226.411   29.889  302.628   25.950  307.958   20.768 -5.330231 33.23722 
1 1 1   12    1   25 o  259.142   15.412  161.327   18.561  142.034   26.230  180.674   26.267  243.194   23.079  275.090   20.431 -31.89647 30.82313 
1 1 1   12    1   26 o  171.175   11.822   69.508   9.4530   66.762   13.286   72.324   13.453  167.715   16.950  174.636   16.484 -6.920486 23.64327 
1 1 1   12    1   27 o  127.340   10.993   38.432   6.5422   38.017   9.2268   38.851   9.2774  126.644   15.589  128.037   15.504 -1.392578 21.98652 
1 1 1   12    1   28 o  417.666   23.878  439.802   46.199  377.086   65.305  502.634   65.366  385.521   36.246  449.811   31.094 -64.29016 47.75582 
1 1 1   12    1   29 o  223.630   17.189  121.852   16.907  121.761   20.716  122.034   29.258  225.098   19.692  222.163   28.179 2.935516 34.37798 
1 1 1   12    1   30 o  137.355   14.662   47.224   8.4687   49.238   10.360   43.170   14.702  143.834   15.412  130.876   24.947 12.95795 29.32380 
1 1 1   12    1   31 o  229.023   17.408  128.868   17.511  129.797   21.478  127.025   30.239  232.110   19.800  225.936   28.638 6.173111 34.81595 
1 1 1   12    1   32 o  177.842   19.243   80.937   15.043   57.792   21.290  104.017   21.259  148.835   31.584  206.848   21.991 -58.01268 38.48616 
1 1 1   12    1   33 o  188.375   16.010   87.905   13.114   83.148   22.815   90.253   16.026  182.911   26.689  193.839   17.691 -10.92867 32.02026 
1 1 1   12    1   34 o  136.440   22.287   45.540   14.211   0.0000   0.0000   45.540   14.211  ?   ?   136.440   22.287      ?      ? 
1 1 1   12    1   36 o  251.710   32.648  166.232   38.406  166.232   38.406   0.0000   0.0000  251.710   32.648  ?   ?       ?      ? 
1 1 1   12    1   37 o  150.463   23.428   56.511   16.474   56.511   16.474   0.0000   0.0000  150.463   23.428  ?   ?       ?      ? 
1 1 1   12    1   38 o   38.352   12.015  -6.9786   4.3450 -12.4152   5.3186   3.9300   7.5339   24.618   12.207   52.087   20.699 -27.46871 24.03021 
1 1 1   12    1   39 o   73.568   13.004   14.656   5.6597   23.801   6.9537  -3.2917   9.7418   99.588   14.940   47.547   21.288 52.04148 26.00800 
1 1 1   12    1   40 o  159.431   12.491   55.964   8.3001   49.561   9.5424   75.866   16.823  143.664   14.212  175.199   20.546 -31.53535 24.98255 
1 1 1   12    1   41 f   63.708   14.527   10.025   4.5678   10.672   5.2314   7.9474   9.3711   64.987   17.022   62.428   23.546 2.559284 29.05438 
1 1 1   12    1   42 o  102.860   11.399   26.464   5.2343   29.447   7.0412   22.779   7.8258  110.736   13.605   94.985   18.293 15.75169 22.79769 
1 1 1   12    1   43 f   50.849   13.066   5.4001   4.0535   6.6639   5.3755   3.7343   6.1716   53.543   18.089   48.155   18.859 5.387733 26.13186 
1 1 1   12    1   44 o  139.443   11.507   47.152   7.4797   51.887   10.766   42.733   10.400  146.373   15.738  132.513   16.792 13.85976 23.01437 
1 1 1   12    1   45 o  146.348   12.550   52.926   8.4731   44.471   12.151   60.928   11.821  134.225   19.371  158.472   15.961 -24.24675 25.09940 
1 1 1   12    1   46 o  113.282   11.063   32.114   5.5178   23.117   7.7391   41.415   7.8691   95.372   18.024  131.192   12.834 -35.81943 22.12619 
1 1 1   12    1   47 o   64.623   13.697   10.717   4.8045   14.882   6.2626   4.7584   7.4900   76.325   17.872   52.921   20.762 23.40339 27.39453 
1 1 1   12    1   48 o  166.434   10.554   67.494   8.1958   69.382   11.387   65.465   11.805  169.076   14.411  163.792   15.422 5.283920 21.10711 
1 1 1   12    1   49 o   73.498   15.626   14.194   5.7853   14.174   8.6404   14.211   7.7889   73.462   22.791   73.533   21.383 -0.7068634E-01 31.25168 
1 1 1   12    1   50 o  119.715   17.789   43.708   9.2618   25.564   16.283   52.385   11.261   94.022   31.483  145.407   16.571 -51.38447 35.57785 
1 1 1   12    1   51 o   90.883   20.110   23.647   9.4856   24.637   12.647   22.374   14.342   93.203   27.288   88.563   29.547 4.640549 40.22044 
1 1 1   12    1   52 o   58.509   13.779   6.6470   5.2279  -2.0684   7.4044   15.311   7.3824   41.312   18.524   75.707   20.403 -34.39589 27.55759 
1 1 1   12    1   53 o   66.730   14.930   11.910   5.3004   9.0802   8.2739   13.879   6.9027   61.349   22.305   72.110   19.853 -10.76108 29.86091 
1 1 1   12    1   54 o   59.457   13.785   8.6885   4.7690   13.355   6.5943   3.5719   6.9051   70.622   19.389   48.292   19.599 22.32962 27.56906 
1 1 1   12    1   55 o   93.240   16.326   24.754   7.2755   32.802   10.487   17.285   10.102  109.193   21.315   77.287   24.734 31.90627 32.65131 
1 1 1   12    1   56 o   66.504   16.052   11.281   6.2893   17.343   9.1517   5.8559   8.6578   78.021   23.309   54.987   22.075 23.03465 32.10324 
1 1 1   12    1   57 o   63.023   15.460   10.399   5.3727   12.718   9.0514   9.1369   6.6760   67.300   23.448   58.747   20.156 8.553806 30.92001 
1 1 1   12    1   58 o  101.107   14.174   29.483   6.4340   33.561   8.5100   24.042   9.8303  113.178   16.089   89.036   23.340 24.14269 28.34769 
1 1 1   12    1   59 o   75.270   14.431   15.111   5.5428   7.8771   7.2328   25.406   8.6280   55.585   20.741   94.955   20.070 -39.36965 28.86210 
1 1 1   12    1   60 o   51.788   15.776   4.1933   6.4700   7.6935   11.578   2.6040   7.8019   57.549   24.511   46.026   19.870 11.52303 31.55299 
1 1 1   12    1   61 o   31.550   10.748  -7.2123   4.4556  -4.1467   7.2424  -9.0792   5.6518   36.080   16.935   27.020   13.238 9.060484 21.49526 
1 1 1   12    1   62 o   33.825   11.150  -3.3445   4.3146  -1.1031   6.3514  -5.2653   5.8794   36.811   16.766   30.839   14.704 5.972641 22.29993 
1 1 1   12    1   63 o   42.538   12.760   1.9393   4.8725  -5.7328   7.8723   6.7036   6.2036   35.650   17.003   49.426   19.032 -13.77566 25.52055 
1 1 1   12    1   64 o   50.190   14.646   3.8577   6.2886  -6.0730   8.5248   15.713   9.3144   36.020   17.316   64.360   23.625 -28.34053 29.29137 
1 1 1   12    2    0 o  186.748   9.8784   83.028   12.036   83.028   12.036   83.028   12.036  186.748   13.970  186.748   13.970 -0.000000 0.000000 
1 1 1   12    2    1 f  579.916   29.421  829.544   77.250  755.336  122.130  879.033   99.737  554.893   47.095  604.938   35.278 -50.04498 58.84227 
1 1 1   12    2    2 f  1088.38   47.293  3048.06  237.768  3038.39  363.198  3055.32  314.535  1078.89   72.032  1097.87   61.302 -18.97803 94.58612 
1 1 1   12    2    3 o  465.457   19.499  519.422   41.751  486.754   63.774  543.925   55.233  451.749   30.207  479.165   24.664 -27.41632 38.99739 
1 1 1   12    2    4 o  296.720   12.798  206.558   17.595  212.589   26.863  202.027   23.285  300.370   19.136  293.070   17.001 7.300262 25.59697 
1 1 1   12    2    5 o  531.265   20.311  672.093   50.423  660.585   71.304  683.604   71.314  526.630   28.971  535.900   28.474 -9.269714 40.62145 
1 1 1   12    2    6 o  362.911   14.208  310.752   24.085  322.643   34.063  298.865   34.058  369.920   19.703  355.902   20.476 14.01859 28.41638 
1 1 1   12    2    7 o  525.870   20.029  658.516   49.199  682.938   69.581  634.098   69.576  535.806   27.787  515.935   28.855 19.87170 40.05900 
1 1 1   12    2    8 o  432.962   16.500  443.877   33.355  421.689   47.160  466.086   47.183  421.993   23.913  443.932   22.742 -21.93845 33.00010 
1 1 1   12    2    9 o  288.108   11.713  195.310   15.757  185.926   22.272  204.715   22.297  281.132   16.951  295.084   16.168 -13.95200 23.42549 
1 1 1   12    2   10 o  618.822   23.520  918.217   68.016  931.881   96.190  904.553   96.190  623.547   33.008  614.097   33.516 9.449463 47.04069 
1 1 1   12    2   11 o  189.385   10.037   84.557   8.8293   95.272   12.485   73.838   12.488  201.493   13.258  177.276   15.073 24.21684 20.07412 
1 1 1   12    2   12 o  579.841   25.462  811.792   68.888  863.253   97.429  760.346   97.415  598.827   34.813  560.855   37.165 37.97168 50.92341 
1 1 1   12    2   13 o  408.056   18.123  395.828   34.560  390.903   48.848  400.764   48.903  405.474   25.777  410.637   25.482 -5.162689 36.24643 
1 1 1   12    2   14 o  611.528   30.615  920.344   85.575  912.325  135.266  925.695  110.499  606.042   47.758  617.013   38.320 -10.97168 61.23070 
1 1 1   12    2   15 o  317.068   16.676  245.339   23.782  209.352   37.480  269.593   30.769  296.276   27.068  337.861   19.486 -41.58472 33.35277 
1 1 1   12    2   16 o  847.797   50.457  1920.05  198.976  1731.10  281.369  2109.06  281.419  800.111   75.246  895.484   67.244 -95.37231 100.9143 
1 1 1   12    2   17 f  445.101   23.622  485.814   47.572  517.156   61.422  438.829   75.203  465.281   28.247  424.921   37.869 40.36023 47.24346 
1 1 1   12    2   18 o  455.974   31.173  545.818   55.005  576.612   63.536  453.693  109.895  491.007   27.688  420.942   55.862 70.06464 62.34697 
1 1 1   12    2   19 o  205.850   12.711  100.394   12.150   86.568   17.014  114.784   17.357  191.210   19.040  220.491   16.844 -29.28098 25.42122 
1 1 1   12    2   20 o  569.808   30.095  832.365   77.367  747.942  122.284  888.716   99.905  539.076   48.537  600.539   35.596 -61.46307 60.19085 
1 1 1   12    2   21 o  377.036   18.255  335.035   31.735  389.657   50.146  298.544   40.987  401.705   26.711  352.367   24.889 49.33749 36.50932 
1 1 1   12    2   22 o  210.134   10.412  104.276   10.223  105.935   14.433  102.606   14.483  211.833   14.579  208.435   14.868 3.397873 20.82302 
1 1 1   12    2   23 o  214.779   12.210  110.818   11.907  102.781   18.848  116.157   15.361  207.802   19.408  221.755   14.822 -13.95328 24.42022 
1 1 1   12    2   24 o  378.595   18.779  340.333   32.761  385.990   51.838  309.971   42.273  398.701   27.820  358.489   25.232 40.21210 37.55808 
1 1 1   12    2   25 o  166.094   11.756   65.372   9.1128   60.798   12.736   70.170   13.044  160.086   17.023  172.103   16.218 -12.01718 23.51173 
1 1 1   12    2   26 o  125.563   16.407   38.644   9.4094   40.695   13.105   36.461   13.519  130.299   21.520  120.827   24.772 9.472145 32.81409 
1 1 1   12    2   27 o  159.329   14.462   61.262   10.042   62.109   12.235   59.515   17.577  161.760   16.184  156.898   23.971 4.861633 28.92321 
1 1 1   12    2   28 o  211.915   19.546  110.799   19.212  125.188   27.096   96.251   27.245  226.553   25.591  197.276   29.551 29.27681 39.09194 
1 1 1   12    2   29 o  280.267   24.417  200.275   31.809  222.848   45.055  177.842   44.915  297.409   32.415  263.125   36.525 34.28375 48.83444 
1 1 1   12    2   30 o  323.586   22.584  256.147   32.549  291.584   56.435  238.484   39.844  336.726   35.861  310.446   27.462 26.27997 45.16859 
1 1 1   12    2   31 o  206.325   17.829  108.499   15.666   93.584   27.465  115.692   19.073  193.139   30.427  219.512   18.592 -26.37314 35.65769 
1 1 1   12    2   32 o  290.328   23.123  221.369   28.744  194.667   49.886  234.640   35.169  271.424   39.327  309.232   24.335 -37.80743 46.24696 
1 1 1   12    2   33 o  343.771   24.277  297.931   36.999  330.508   64.299  281.805   45.239  352.659   39.013  334.884   28.905 17.77548 48.55416 
1 1 1   12    2   34 o  176.071   18.369   83.534   12.983   64.040   22.853   92.825   15.776  155.587   32.477  196.555   17.174 -40.96765 36.73867 
1 1 1   12    2   35 o  184.896   17.960   82.606   15.519   82.606   15.519   0.0000   0.0000  184.896   17.960  ?   ?       ?      ? 
1 1 1   12    2   36 o   71.247   17.795   12.766   5.9079   12.766   5.9079   0.0000   0.0000   71.247   17.795  ?   ?       ?      ? 
1 1 1   12    2   37 o  321.259   19.737  264.711   29.591  278.953   41.785  250.383   41.912  330.820   27.026  311.697   28.771 19.12277 39.47414 
1 1 1   12    2   38 f  134.729   13.120   40.698   7.9047   57.327   13.863   32.686   9.6222  153.305   19.349  116.153   17.726 37.15159 26.24073 
1 1 1   12    2   39 o  176.515   12.255   75.553   10.102   77.977   14.180   73.056   14.394  179.546   16.899  173.484   17.753 6.062180 24.51042 
1 1 1   12    2   40 f  204.083   16.153  102.052   14.563   97.318   17.748  111.808   25.477  199.095   19.074  209.070   26.075 -9.975220 32.30653 
1 1 1   12    2   41 o  104.038   14.439   28.675   5.8823   29.995   6.7775   24.645   11.842  111.877   12.963   96.200   25.806 15.67618 28.87830 
1 1 1   12    2   42 o   85.744   14.801   20.069   5.4779   21.919   6.2930   14.284   11.129   95.449   14.107   76.040   26.025 19.40887 29.60273 
1 1 1   12    2   43 o   52.348   13.704   3.1067   4.3909  -0.3108   5.2535   11.027   7.9977   37.649   16.279   67.047   22.050 -29.39799 27.40818 
1 1 1   12    2   44 o  111.451   10.835   30.000   5.5935   29.856   7.4306   30.188   8.4970  111.388   14.274  111.514   16.304 -0.1264725 21.66939 
1 1 1   12    2   45 o  157.800   12.555   61.005   9.1779   71.620   13.234   51.170   12.739  171.523   16.510  144.078   18.919 27.44438 25.10949 
1 1 1   12    2   46 o   71.959   14.037   13.751   5.1255   7.9991   7.8356   18.053   6.7764   59.813   21.712   84.104   17.795 -24.29136 28.07302 
1 1 1   12    2   47 o  123.072   12.101   37.019   6.9464   39.788   10.208   34.632   9.4796  127.326   17.155  118.817   17.071 8.509270 24.20176 
1 1 1   12    2   48 o   95.921   14.046   23.747   6.0802   24.888   8.9032   22.749   8.3236   98.022   20.109   93.821   19.615 4.201096 28.09108 
1 1 1   12    2   49 o   64.959   14.541   10.422   4.8816   12.933   7.7421   8.7657   6.2894   70.431   21.528   59.486   19.553 10.94489 29.08273 
1 1 1   12    2   50 o  228.207   15.774  135.627   16.504  106.782   23.065  165.893   23.626  200.786   24.580  255.629   19.776 -54.84361 31.54749 
1 1 1   12    2   51 o  194.032   14.786   79.644   12.138   55.302   14.065  150.669   24.026  146.729   20.511  241.336   21.302 -94.60744 29.57157 
1 1 1   12    2   52 o  105.660   15.000   31.284   7.2538   43.846   9.9500   17.034   10.597  132.718   16.042   78.602   25.352 54.11615 30.00094 
1 1 1   12    2   53 o  134.880   10.702   45.283   6.7165   48.480   9.3399   41.859   9.6657  140.272   14.247  129.488   15.972 10.78435 21.40302 
1 1 1   12    2   54 o   58.753   15.121   8.4339   5.3525   5.4181   9.3570   9.9007   6.5257   55.945   22.773   61.561   19.898 -5.616680 30.24152 
1 1 1   12    2   55 o   63.999   15.052   8.3088   5.4368   19.369   9.3916   2.7340   6.6676   82.180   23.353   45.819   18.996 36.36147 30.10359 
1 1 1   12    2   56 o   44.150   12.531   0.9782   4.3800   7.4514   6.3855  -4.7737   6.0192   55.035   19.648   33.264   15.557 21.77117 25.06131 
1 1 1   12    2   57 o  103.818   13.810   29.248   6.3982   27.814   8.4322   31.194   9.8231  101.578   18.441  106.058   20.560 -4.480621 27.61913 
1 1 1   12    2   58 o  126.507   16.271   43.536   8.3754   39.349   9.7297   55.515   16.457  121.643   17.115  131.371   27.678 -9.727890 32.54206 
1 1 1   12    2   59 o   68.184   14.095   13.145   4.8938   16.686   6.9829   9.7270   6.8607   76.913   19.422   59.454   20.431 17.45932 28.18925 
1 1 1   12    2   60 o   63.789   14.904   11.611   5.2416   7.8696   6.8700   16.823   8.1084   53.906   20.195   73.672   21.925 -19.76568 29.80794 
1 1 1   12    2   61 o   69.752   15.820   15.001   5.7914   20.380   9.2626   11.548   7.4208   78.400   23.456   61.104   21.234 17.29549 31.63986 
1 1 1   12    2   62 o   61.601   17.054   10.159   5.6213   20.224   14.137   8.2686   6.1265   70.079   28.182   53.123   19.212 16.95556 34.10714 
1 1 1   12    2   63 o   72.304   18.198   15.732   6.4990   30.827   14.593   11.998   7.2585   83.651   29.720   60.957   21.011 22.69411 36.39673 
1 1 1   12    2   64 o   45.509   14.193   3.1404   6.4233 -13.9128   13.723   7.9248   7.2688   40.119   19.842   50.898   20.298 -10.77826 28.38545 
1 1 1   12    3    0 o   65.907   11.956   11.975   4.5019   11.975   4.5019   11.975   4.5019   65.907   16.909   65.907   16.909 -0.000000 0.000000 
1 1 1   12    3    1 o  131.550   8.7483   39.909   5.2971   44.347   8.4030   36.982   6.8237  137.493   13.077  125.607   11.624 11.88527 17.49667 
1 1 1   12    3    2 o  137.577   7.6157   44.414   4.8383   43.900   7.4155   44.795   6.3845  136.854   11.594  138.299   9.8778 -1.446030 15.23149 
1 1 1   12    3    3 o  308.446   12.058  223.846   17.376  217.600   24.567  230.099   24.581  304.111   17.285  312.780   16.816 -8.669220 24.11507 
1 1 1   12    3    4 o  309.116   12.296  224.901   17.758  231.531   25.105  218.261   25.122  313.709   17.123  304.522   17.652 9.186737 24.59298 
1 1 1   12    3    5 o  458.067   16.924  497.083   36.204  475.258   51.197  518.912   51.202  447.872   24.459  468.263   23.397 -20.39075 33.84788 
1 1 1   12    3    6 o  394.318   15.124  367.364   27.854  352.299   39.385  382.439   39.398  386.141   21.824  402.495   20.945 -16.35373 30.24885 
1 1 1   12    3    7 o  669.150   25.221  1077.97   78.805  1028.05  111.441  1127.89  111.452  653.188   36.506  685.112   34.809 -31.92438 50.44123 
1 1 1   12    3    8 o  407.944   15.399  393.236   29.354  401.611   41.509  384.858   41.517  412.338   21.540  403.550   22.014 8.788483 30.79874 
1 1 1   12    3    9 o  480.056   18.516  548.464   41.390  601.680   58.538  495.262   58.531  503.772   24.864  456.341   27.444 47.43201 37.03219 
1 1 1   12    3   10 o  594.077   24.912  854.591   68.169  885.098   90.173  813.903  104.137  608.152   31.727  580.003   38.418 28.14911 49.82469 
1 1 1   12    3   11 o  875.950   46.297  1992.97  184.569  1926.80  291.795  2037.11  238.296  853.311   73.169  898.589   56.743 -45.27844 92.59315 
1 1 1   12    3   12 o  360.518   18.575  316.766   30.195  275.585   47.609  344.476   39.054  339.461   30.009  381.574   21.900 -42.11325 37.15067 
1 1 1   12    3   13 o  534.268   26.989  691.096   66.109  706.450  104.478  680.843   85.373  537.272   41.609  531.265   34.385 6.007690 53.97784 
1 1 1   12    3   14 o  295.020   15.370  206.402   20.764  204.428   32.724  207.733   26.865  293.441   23.862  296.599   19.381 -3.157501 30.74090 
1 1 1   12    3   15 o  402.794   22.429  390.117   42.163  366.720   59.589  413.574   59.665  390.357   32.663  415.232   30.746 -24.87558 44.85777 
1 1 1   12    3   16 o  367.505   18.478  324.008   30.942  333.453   39.931  309.812   48.951  375.077   22.779  359.933   29.100 15.14420 36.95584 
1 1 1   12    3   17 o  370.278   18.764  327.973   31.745  332.088   40.978  321.798   50.199  374.007   23.444  366.550   29.304 7.456482 37.52767 
1 1 1   12    3   18 o  169.096   10.320   65.820   8.0266   59.557   10.301   75.500   12.806  159.139   13.851  179.053   15.303 -19.91414 20.64060 
1 1 1   12    3   19 o  170.461   11.790   69.251   9.2912   79.746   13.026   58.382   13.256  183.886   15.157  157.036   18.063 26.85022 23.57982 
1 1 1   12    3   20 o  187.068   11.590   82.764   10.111   75.739   14.139   90.115   14.465  178.872   16.914  195.264   15.851 -16.39197 23.18063 
1 1 1   12    3   21 o  141.358   9.0198   46.291   5.9096   53.745   9.0781   40.809   7.7849  151.065   12.858  131.652   12.653 19.41342 18.03968 
1 1 1   12    3   22 f  217.888   11.927  111.784   11.958  116.392   18.780  108.643   15.508  221.405   18.150  214.371   15.479 7.033295 23.85393 
1 1 1   12    3   23 o  176.908   11.087   77.239   8.7201   88.201   11.291   61.036   13.727  193.532   12.483  160.283   18.325 33.24895 22.17313 
1 1 1   12    3   24 o  174.829   12.166   72.727   9.9073   67.017   14.160   78.202   13.866  167.957   18.040  181.702   16.329 -13.74442 24.33258 
1 1 1   12    3   25 o  224.763   16.644  118.354   16.716  111.150   20.540  132.482   28.766  215.714   20.374  233.811   26.325 -18.09688 33.28875 
1 1 1   12    3   26 o  216.903   20.310  116.010   20.347   97.325   28.959  134.227   28.595  198.638   31.195  235.168   26.018 -36.53004 40.62064 
1 1 1   12    3   27 o  208.900   19.427  107.019   18.913   99.406   26.982  114.371   26.517  201.151   28.702  216.649   26.190 -15.49747 38.85498 
1 1 1   12    3   28 o  327.430   21.347  248.582   31.365  335.741   54.521  205.468   38.346  366.341   31.845  288.519   28.438 77.82251 42.69461 
1 1 1   12    3   29 o  267.755   19.895  179.811   23.174  170.966   40.260  184.194   28.340  259.799   33.159  275.711   21.994 -15.91165 39.78954 
1 1 1   12    3   30 o   72.876   15.066   14.250   5.8753   2.4401   11.169   18.768   6.9082   58.656   24.475   87.097   17.578 -28.44050 30.13267 
1 1 1   12    3   31 o  234.502   13.004  130.009   14.032  121.261   18.084  143.249   22.246  225.132   17.187  243.872   19.518 -18.74030 26.00717 
1 1 1   12    3   32 o  397.377   20.925  390.702   38.292  361.957   49.428  433.854   60.560  381.072   27.754  413.681   31.324 -32.60913 41.85033 
1 1 1   12    3   33 o  116.151   14.478   31.906   7.1070   36.945   13.046   29.779   8.4749  120.755   23.963  111.549   16.257 9.205971 28.95681 
1 1 1   12    3   34 o  119.035   17.430   36.796   9.4915   26.756   13.985   45.369   12.924  101.441   28.383  136.629   20.239 -35.18808 34.86003 
1 1 1   12    3   35 o  254.615   17.959  156.787   21.371  156.787   21.371   0.0000   0.0000  254.615   17.959  ?   ?       ?      ? 
1 1 1   12    3   36 o  175.525   17.136   74.531   14.057   74.531   14.057   0.0000   0.0000  175.525   17.136  ?   ?       ?      ? 
1 1 1   12    3   37 o   75.007   12.862   14.176   4.4567   13.702   6.1221   14.710   6.5003   73.714   17.940   76.300   18.435 -2.586578 25.72375 
1 1 1   12    3   38 o  240.177   14.874  141.775   16.694  143.985   23.556  139.546   23.661  242.182   20.812  238.172   21.257 4.010437 29.74892 
1 1 1   12    3   39 o  207.944   17.177  109.580   15.595  105.338   26.950  111.716   19.122  202.146   28.527  213.742   19.143 -11.59642 34.35450 
1 1 1   12    3   40 o  169.425   12.114   69.984   9.5781   72.954   13.415   66.895   13.680  173.321   16.561  165.529   17.684 7.791183 24.22766 
1 1 1   12    3   41 o   80.790   12.470   16.573   4.5689   17.176   6.2581   15.884   6.6859   82.630   16.778   78.950   18.452 3.679657 24.93975 
1 1 1   12    3   42 o   68.125   13.268   11.551   4.5149   7.4500   6.2507   16.024   6.5286   56.780   19.502   79.470   17.996 -22.69056 26.53649 
1 1 1   12    3   43 o  101.917   15.614   29.912   6.9220   35.447   8.3193   17.460   12.479  121.235   14.683   82.599   27.561 38.63611 31.22856 
1 1 1   12    3   44 o  107.236   15.752   35.157   7.8739   48.529   9.8056   10.882   13.212  141.878   14.788   72.594   27.818 69.28467 31.50463 
1 1 1   12    3   45 o  112.501   14.640   31.969   6.6782   31.828   7.8262   32.345   12.808  114.771   14.591  110.231   25.387 4.539795 29.28090 
1 1 1   12    3   46 o   84.646   16.417   18.276   7.7718   31.691   10.853   4.1540   11.135  110.246   21.836   59.046   24.520 51.19963 32.83341 
1 1 1   12    3   47 o  103.445   15.904   29.249   7.1916   22.821   12.590   32.362   8.7616   91.800   27.320  115.091   16.289 -23.29108 31.80741 
1 1 1   12    3   48 o   53.160   14.371   5.4693   4.9658   5.3798   7.3686   5.5437   6.7213   53.610   20.714   52.710   19.927 0.9000397 28.74288 
1 1 1   12    3   49 o  172.734   14.266   77.457   10.491  109.569   15.178   48.084   14.516  211.336   15.367  134.132   24.040 77.20424 28.53201 
1 1 1   12    3   50 o   90.501   22.352   22.012   9.3978   22.012   9.3978   0.0000   0.0000   90.501   22.352  ?   ?       ?      ? 
1 1 1   12    3   51 o   72.608   20.907   14.013   7.4790   14.013   7.4790   0.0000   0.0000   72.608   20.907  ?   ?       ?      ? 
1 1 1   12    3   52 o  103.647   17.235   31.651   7.8145   23.576   14.961   34.680   9.1640   89.588   30.177  117.706   16.659 -28.11793 34.46993 
1 1 1   12    3   53 o   77.393   15.557   16.725   6.0133   12.579   9.3826   19.616   7.8336   69.123   23.885   85.663   19.940 -16.54004 31.11424 
1 1 1   12    3   54 o   60.133   15.647   8.6417   5.6014   9.3033   9.4620   8.2847   6.9501   62.404   23.630   57.862   20.515 4.542400 31.29314 
1 1 1   12    3   55 o   79.980   15.478   18.852   6.1925   12.317   9.9597   22.971   7.9066   67.539   24.485   92.421   18.942 -24.88238 30.95629 
1 1 1   12    3   56 o   85.885   15.774   21.163   6.4936   16.718   9.5830   24.936   8.8298   76.311   24.055   95.460   20.410 -19.14841 31.54727 
1 1 1   12    3   57 o   81.518   20.293   19.728   9.9662   10.745   13.091   32.109   15.370   65.666   26.857   97.369   30.428 -31.70313 40.58549 
1 1 1   12    3   58 o   61.177   15.932   10.692   6.0958   4.6002   11.848   12.885   7.1088   55.637   24.250   66.717   20.669 -11.08055 31.86301 
1 1 1   12    3   59 o   79.368   12.799   17.321   5.4529   30.584   7.8103   4.7088   7.6164  108.734   15.369   50.001   20.472 58.73322 25.59889 
1 1 1   12    3   60 o   73.130   14.481   16.170   5.1449   16.242   7.3631   16.100   7.1918   73.161   20.639   73.099   20.319 0.6220245E-01 28.96218 
1 1 1   12    3   61 f   52.249   14.614   5.2797   5.6597   13.550   8.6243  -0.9761   7.5009   64.497   22.854   40.000   18.219 24.49677 29.22751 
1 1 1   12    3   62 o   32.068   15.640  -9.7376   7.6283   0.0000   0.0000  -9.7376   7.6283  ?   ?    32.068   15.640      ?      ? 
1 1 1   12    3   63 o   46.091   15.182  -3.8227   6.9140   11.509   13.291  -9.5108   8.0955   58.974   25.695   33.208   16.178 25.76556 30.36352 
1 1 1   12    3   64 o   86.340   21.040   38.727   11.422   27.483   17.574   46.950   15.029   69.435   29.899  103.245   29.610 -33.81065 42.07959 
1 1 1   12    4    0 o  329.562   14.876  258.172   32.100  258.172   32.100  258.172   32.100  329.562   21.038  329.562   21.038 -0.000000 0.000000 
1 1 1   12    4    1 o  603.333   26.660  878.902   75.156  899.127  106.289  858.679  106.283  610.504   37.253  596.161   38.147 14.34338 53.31913 
1 1 1   12    4    2 o  596.946   26.440  860.695   73.640  805.232  104.137  916.168  104.147  577.065   38.613  616.828   36.128 -39.76263 52.87931 
1 1 1   12    4    3 o  318.103   13.174  236.271   19.446  255.483   29.708  221.867   25.723  329.224   19.308  306.983   17.929 22.24033 26.34874 
1 1 1   12    4    4 o  468.543   18.095  521.106   39.592  544.544   55.989  497.662   55.994  479.248   24.997  457.837   26.169 21.41080 36.18977 
1 1 1   12    4    5 o  143.331   7.8323   48.514   5.1781   45.586   7.8501   50.769   6.8896  139.435   12.046  147.226   10.013 -7.790894 15.66452 
1 1 1   12    4    6 o  220.288   10.080  113.392   10.293  118.062   15.713  109.882   13.623  224.186   14.997  216.390   13.471 7.795883 20.15914 
1 1 1   12    4    7 o  506.197   18.965  609.007   44.851  591.092   63.426  626.925   63.432  498.624   27.218  513.770   26.418 -15.14597 37.93052 
1 1 1   12    4    8 o  701.753   26.566  1189.40   87.123  1200.59  123.213  1178.21  123.207  705.164   37.387  698.343   37.751 6.821045 53.13116 
1 1 1   12    4    9 o  479.452   20.136  546.674   44.692  555.443   68.257  540.094   59.128  482.203   30.288  476.701   26.540 5.501709 40.27113 
1 1 1   12    4   10 o  527.712   22.737  667.678   56.065  653.287   79.248  682.098   79.328  521.878   32.492  533.546   31.814 -11.66821 45.47355 
1 1 1   12    4   11 f  188.471   10.957   83.411   9.5197   84.236   14.760   82.823   12.457  189.173   16.695  187.769   14.195 1.403717 21.91414 
1 1 1   12    4   12 f  237.689   16.313  134.079   15.827  133.649   31.142  134.229   18.378  236.594   28.164  238.785   16.468 -2.191742 32.62545 
1 1 1   12    4   13 o  319.959   18.781  243.999   28.079  248.296   39.614  239.659   39.806  322.862   26.254  317.056   26.864 5.806519 37.56266 
1 1 1   12    4   14 o  511.239   28.780  639.251   68.744  655.287   97.165  623.180   97.272  517.971   40.139  504.507   41.255 13.46371 57.55947 
1 1 1   12    4   15 o  293.484   14.401  200.466   19.451  186.938   25.064  220.946   30.840  281.435   19.056  305.534   21.598 -24.09967 28.80280 
1 1 1   12    4   16 o  691.094   33.535  1178.07  106.449  1134.75  137.413  1243.07  168.333  678.820   43.314  703.369   51.209 -24.54901 67.07042 
1 1 1   12    4   17 o  387.350   16.912  360.108   30.171  290.430   42.601  430.227   42.736  348.750   26.137  425.951   21.468 -77.20190 33.82351 
1 1 1   12    4   18 o  331.654   19.769  265.842   30.430  300.333   42.994  231.222   43.075  353.957   25.991  309.350   29.794 44.60669 39.53746 
1 1 1   12    4   19 f  227.073   11.654  118.208   12.173  100.088   15.652  145.943   19.365  205.758   16.277  248.388   16.682 -42.63010 23.30730 
1 1 1   12    4   20 o  230.813   13.448  126.590   14.502  122.208   20.380  131.084   20.641  226.724   19.234  234.903   18.801 -8.178879 26.89695 
1 1 1   12    4   21 o  424.978   24.421  447.408   48.302  491.687   68.298  403.100   68.321  447.283   32.673  402.672   36.304 44.61090 48.84154 
1 1 1   12    4   22 f  254.133   12.971  154.662   15.030  159.527   19.430  147.413   23.715  259.644   16.012  248.622   20.410 11.02213 25.94174 
1 1 1   12    4   23 o  202.303   11.250   96.116   10.470   92.825   13.552  100.987   16.489  198.240   14.628  206.367   17.097 -8.127487 22.50057 
1 1 1   12    4   24 o   97.567   13.551   19.058   5.2820   34.117   11.176   14.727   5.9937  117.804   21.073   77.331   17.044 40.47309 27.10289 
1 1 1   12    4   25 o   65.478   12.104   9.6687   3.8352   5.7756   4.9203   15.696   6.1222   51.092   17.305   79.864   16.928 -28.77229 24.20824 
1 1 1   12    4   26 f  181.113   12.149   78.153   10.201   66.013   14.238   90.954   14.621  166.421   18.307  195.804   15.978 -29.38223 24.29888 
1 1 1   12    4   27 o   97.344   15.239   25.829   6.4859   16.000   11.699   30.192   7.7934   81.827   26.656  112.861   14.775 -31.03361 30.47754 
1 1 1   12    4   28 o   68.732   12.149   11.180   3.7881   9.5343   4.7349   14.106   6.3143   62.139   16.154   75.324   18.151 -13.18526 24.29852 
1 1 1   12    4   29 o  149.597   10.163   53.379   6.9280   54.283   8.9098   51.996   11.018  151.483   12.585  147.711   15.961 3.771851 20.32567 
1 1 1   12    4   30 o   71.180   13.375   12.760   4.7357   7.5183   6.9558   17.288   6.4656   58.757   20.550   83.603   17.124 -24.84688 26.74954 
1 1 1   12    4   31 o  186.650   12.928   83.979   11.224   75.718   15.999   91.986   15.751  177.286   19.310  196.015   17.194 -18.72939 25.85538 
1 1 1   12    4   32 o  249.550   19.045  151.217   21.071  166.805   36.675  143.537   25.743  256.750   30.565  242.351   22.729 14.39816 38.08929 
1 1 1   12    4   33 o  102.175   12.884   23.753   5.8153   19.344   7.1258   32.547   10.062   88.185   17.901  116.165   18.534 -27.98067 25.76799 
1 1 1   12    4   34 o   92.599   14.646   21.582   5.9187   21.553   7.2628   21.639   10.213   93.258   17.301   91.940   23.637 1.318047 29.29206 
1 1 1   12    4   35 o  137.277   12.973   44.876   8.3232   44.876   8.3232   0.0000   0.0000  137.277   12.973  ?   ?       ?      ? 
1 1 1   12    4   36 o  212.745   16.108  108.685   15.216  100.680   18.535  125.226   26.644  202.836   19.553  222.654   25.605 -19.81848 32.21686 
1 1 1   12    4   37 o  145.920   11.123   51.223   7.5834   51.008   10.594   51.448   10.859  145.651   15.564  146.189   15.895 -0.5379639 22.24597 
1 1 1   12    4   38 o  130.208   11.701   41.556   6.9747   49.644   9.7118   32.942   10.023  143.995   14.431  116.421   18.421 27.57475 23.40107 
1 1 1   12    4   39 o   73.370   12.007   13.105   4.0494   9.6836   5.3183   17.825   6.2464   62.215   17.537   84.525   16.404 -22.30939 24.01314 
1 1 1   12    4   40 f  200.492   11.769   98.674   10.757  102.302   13.943   93.340   16.907  206.051   14.479  194.934   18.558 11.11642 23.53795 
1 1 1   12    4   41 o  152.435   11.985   60.525   7.8994   72.945   10.226   42.146   12.439  174.622   12.530  130.249   20.435 44.37257 23.97078 
1 1 1   12    4   42 o   81.971   13.035   17.177   4.8628   18.273   6.5944   15.871   7.1994   85.225   17.150   78.717   19.635 6.507675 26.07062 
1 1 1   12    4   43 o  161.410   12.010   63.620   9.0376   66.718   12.583   60.318   12.989  165.761   16.242  157.059   17.696 8.702667 24.02006 
1 1 1   12    4   44 o  137.550   11.508   45.940   7.3934   47.188   10.387   44.658   10.526  139.552   15.927  135.547   16.616 4.004959 23.01607 
1 1 1   12    4   45 o  189.148   17.022   93.964   13.873   98.221   16.987   85.437   24.039  199.394   18.229  178.902   28.752 20.49149 34.04377 
1 1 1   12    4   46 o   89.637   15.955   21.302   6.5569   21.902   8.2990   20.306   10.696   92.125   19.860   87.150   24.976 4.974380 31.90986 
1 1 1   12    4   47 o  144.919   14.380   50.199   9.4228   43.535   11.668   62.698   15.978  132.424   18.853  157.413   21.719 -24.98926 28.76013 
1 1 1   12    4   48 o   84.090   16.654   19.058   6.6659   19.709   8.2894   17.866   11.214   86.607   20.752   81.573   26.055 5.034157 33.30896 
1 1 1   12    4   49 o   87.087   17.030   20.176   8.5922   2.7192   12.685   34.975   11.680   59.441   25.495  114.733   22.586 -55.29225 34.06028 
1 1 1   12    4   50 o   89.537   27.545   22.568   12.651   22.568   12.651   0.0000   0.0000   89.537   27.545  ?   ?       ?      ? 
1 1 1   12    4   51 o  144.588   27.553   58.917   17.939   58.917   17.939   0.0000   0.0000  144.588   27.553  ?   ?       ?      ? 
1 1 1   12    4   52 o   61.375   15.972   9.0814   6.2229  -0.4076   12.409   12.269   7.1926   54.725   24.295   68.026   20.742 -13.30093 31.94451 
1 1 1   12    4   53 o   81.549   14.724   15.464   5.9049   7.3446   7.3432   30.322   9.9332   56.593   20.942  106.505   20.702 -49.91184 29.44707 
1 1 1   12    4   54 o  107.517   15.068   34.628   7.0268   42.529   8.8355   21.031   11.591  130.618   14.474   84.415   26.432 46.20359 30.13532 
1 1 1   12    4   55 o   93.611   16.519   25.601   7.3916   31.663   10.087   18.573   10.862  107.650   20.803   79.572   25.667 28.07756 33.03883 
1 1 1   12    4   56 o   54.130   14.997   6.2639   5.3804   6.8993   6.6092   5.0155   9.2645   53.875   19.881   54.386   22.457 -0.5112190 29.99336 
1 1 1   12    4   57 o   61.255   15.443   10.284   5.6588   7.9807   8.3899   12.207   7.6647   57.052   22.087   65.457   21.589 -8.405121 30.88545 
1 1 1   12    4   58 o   53.117   14.633   6.0231   5.3201   2.8309   7.1208   10.056   8.0040   45.909   19.372   60.324   21.937 -14.41458 29.26648 
1 1 1   12    4   59 o   45.081   12.967   0.7077   4.9824   8.7823   6.9281  -7.9416   7.1705   56.936   20.451   33.226   15.948 23.70936 25.93447 
1 1 1   12    4   60 o   39.478   12.623  -0.7506   4.9568  -1.4581   7.5323  -0.2102   6.5830   39.829   18.186   39.127   17.511 0.7018471 25.24549 
1 1 1   12    4   61 o   61.703   15.318   11.483   5.3718   9.0312   6.8378   15.435   8.6820   55.317   20.252   68.089   22.988 -12.77180 30.63646 
1 1 1   12    4   62 o   38.803   12.409  -0.3414   4.8177   0.0125   6.7905  -0.7000   6.8361   39.201   17.645   38.405   17.454 0.7960548 24.81873 
1 1 1   12    4   63 o   56.035   17.454   8.6961   8.5469   14.452   14.236   5.4516   10.687   61.400   26.673   50.670   22.518 10.72984 34.90709 
1 1 1   12    4   64 o   48.085   22.354   2.9386   12.133   2.9386   12.133   0.0000   0.0000   48.085   22.354  ?   ?       ?      ? 
1 1 1   12    5    0 o  746.021   28.065  1335.16  137.488  1335.16  137.488  1335.16  137.488  746.021   39.691  746.021   39.691 -0.000000 0.000000 
1 1 1   12    5    1 o  246.357   12.063  141.207   13.161  137.954   16.121  147.712   22.792  242.401   14.230  250.312   19.483 -7.911316 24.12682 
1 1 1   12    5    2 f  310.311   14.060  227.175   20.380  218.924   28.835  235.410   28.808  304.625   20.254  315.996   19.507 -11.37036 28.12024 
1 1 1   12    5    3 o  500.173   21.757  600.919   50.387  508.871   71.246  693.035   71.272  460.783   33.084  539.563   28.264 -78.78049 43.51325 
1 1 1   12    5    4 o  479.853   20.118  549.492   44.592  540.153   68.113  556.496   58.992  475.559   30.647  484.148   26.072 -8.589355 40.23616 
1 1 1   12    5    5 o  422.482   15.826  422.061   31.245  416.466   44.191  427.655   44.184  419.648   22.532  425.316   22.229 -5.667603 31.65130 
1 1 1   12    5    6 o  522.091   22.072  653.454   53.212  663.213   70.387  640.437   81.292  527.626   28.545  516.556   33.674 11.07025 44.14410 
1 1 1   12    5    7 o  467.658   19.345  525.982   41.556  485.397   63.459  556.455   54.987  450.803   30.120  484.514   24.283 -33.71063 38.68999 
1 1 1   12    5    8 o  271.653   12.756  177.960   15.082  162.122   26.055  185.941   18.495  261.918   21.286  281.389   14.064 -19.47186 25.51233 
1 1 1   12    5    9 o  570.733   27.641  786.262   69.608  807.235  120.522  775.764   85.268  572.848   45.018  568.617   32.087 4.230225 55.28241 
1 1 1   12    5   10 o  492.636   32.017  597.919   63.427  599.038  126.805  597.546   73.249  486.213   55.804  499.058   31.406 -12.84454 64.03470 
1 1 1   12    5   11 o  498.258   31.503  604.097   69.437  637.649  120.264  587.320   85.044  504.445   51.013  492.069   36.981 12.37589 63.00685 
1 1 1   12    5   12 o  192.028   17.981   86.952   16.137   0.0000   0.0000   86.952   16.137  ?   ?   192.028   17.981      ?      ? 
1 1 1   12    5   13 o  256.868   15.059  156.136   18.078  155.060   25.585  157.209   25.547  255.971   21.387  257.765   21.207 -1.794479 30.11877 
1 1 1   12    5   14 o  227.359   13.641  122.191   14.465  113.382   20.458  130.999   20.457  219.069   19.982  235.648   18.575 -16.57962 27.28197 
1 1 1   12    5   15 o  288.436   15.442  200.165   20.200  183.083   31.932  211.559   26.081  277.484   24.624  299.389   18.640 -21.90488 30.88316 
1 1 1   12    5   16 o  315.572   16.266  238.124   23.428  229.649   36.987  243.803   30.277  310.244   25.510  320.900   20.188 -10.65616 32.53156 
1 1 1   12    5   17 o  385.660   19.807  362.408   34.701  337.171   54.829  379.273   44.820  372.846   31.465  398.474   24.067 -25.62820 39.61460 
1 1 1   12    5   18 o  250.877   14.707  149.839   17.238  155.249   24.553  144.581   24.206  255.393   20.571  246.362   21.024 9.030609 29.41362 
1 1 1   12    5   19 o  356.522   23.356  299.119   34.230  285.206   39.529  340.828   68.444  344.528   24.550  368.516   39.741 -23.98795 46.71199 
1 1 1   12    5   20 f  280.394   22.062  192.570   28.812  173.897   40.524  211.656   40.972  266.059   32.591  294.729   29.746 -28.67053 44.12443 
1 1 1   12    5   21 o  224.313   13.770  119.905   14.418  124.167   20.171  115.453   20.617  228.515   18.887  220.111   20.042 8.404373 27.53923 
1 1 1   12    5   22 o  202.158   12.389   99.216   11.275  106.856   14.498   87.522   17.937  212.708   14.584  191.609   20.030 21.09875 24.77731 
1 1 1   12    5   23 o  202.210   9.8470   96.616   9.2946  100.912   13.056   92.202   13.235  206.832   13.507  197.587   14.333 9.244522 19.69402 
1 1 1   12    5   24 f   53.500   10.748   6.4179   3.0238   10.741   4.4800   2.8001   4.0982   66.122   14.859   40.877   15.534 25.24459 21.49656 
1 1 1   12    5   25 o   78.851   10.763   15.948   3.7541   10.852   5.8054   19.609   4.9216   66.448   18.171   91.254   11.540 -24.80579 21.52611 
1 1 1   12    5   26 o   69.191   11.700   12.220   3.6435   13.450   4.5230   9.9479   6.1492   74.319   13.520   64.063   19.099 10.25568 23.40051 
1 1 1   12    5   27 o  240.161   12.404  135.342   13.715  124.857   17.674  151.214   21.746  228.960   16.517  251.363   18.511 -22.40279 24.80881 
1 1 1   12    5   28 o  224.736   14.370  127.075   14.292  144.272   18.399  100.910   22.695  246.069   15.999  203.402   23.874 42.66695 28.73914 
1 1 1   12    5   29 o  140.233   10.003   46.119   6.4193   44.072   8.2012   49.356   10.314  136.452   12.860  144.013   15.325 -7.561447 20.00604 
1 1 1   12    5   30 o  193.025   11.251   88.779   9.9140   88.533   12.725   89.160   15.814  193.100   14.101  192.951   17.537 0.1492462 22.50260 
1 1 1   12    5   31 o  113.483   15.628   33.341   7.3903   28.370   13.399   35.514   8.8599  104.954   27.122  122.013   15.537 -17.05921 31.25694 
1 1 1   12    5   32 o  250.948   18.766  153.487   20.832  166.583   36.292  147.051   25.441  256.487   30.276  245.409   22.182 11.07785 37.53240 
1 1 1   12    5   33 o  100.778   23.083   25.866   10.638   0.0000   0.0000   25.866   10.638  ?   ?   100.778   23.083      ?      ? 
1 1 1   12    5   34 o  227.741   17.532  133.378   15.736  137.731   18.190  120.430   31.373  239.400   16.258  216.082   31.067 23.31830 35.06381 
1 1 1   12    5   35 o  192.199   20.130  100.727   15.686  110.245   19.115   81.100   27.449  212.587   19.240  171.811   35.364 40.77596 40.25911 
1 1 1   12    5   36 o  198.400   14.919   91.317   13.096   80.379   15.782  115.505   23.469  181.616   18.593  215.184   23.337 -33.56778 29.83848 
1 1 1   12    5   37 o  185.671   13.176   84.406   11.328   95.594   15.859   72.754   16.185  198.907   17.061  172.435   20.084 26.47195 26.35183 
1 1 1   12    5   38 o   83.001   14.780   18.010   5.7164   14.775   9.0612   20.148   7.3674   76.446   23.274   89.555   18.223 -13.10884 29.55933 
1 1 1   12    5   39 o  199.515   13.614   98.335   12.544  115.830   17.838   81.223   17.642  218.017   17.507  181.013   20.854 37.00391 27.22890 
1 1 1   12    5   40 o  126.139   11.399   38.658   6.7163   40.129   9.5147   37.197   9.4820  128.617   15.829  123.660   16.407 4.956184 22.79794 
1 1 1   12    5   41 o  115.858   10.286   31.643   5.5043   27.689   7.1518   37.387   8.6210  107.243   14.269  124.473   14.820 -17.22939 20.57272 
1 1 1   12    5   42 o   84.378   11.630   17.811   4.3980   17.640   5.8967   18.025   6.6024   84.174   15.563   84.582   17.286 -0.4076309 23.25965 
1 1 1   12    5   43 o  142.689   10.213   48.260   6.7157   44.681   8.6801   53.597   10.600  136.439   13.613  148.938   15.228 -12.49947 20.42545 
1 1 1   12    5   44 o  151.598   12.118   55.910   8.5664   61.362   12.475   51.045   11.784  158.688   16.821  144.508   17.449 14.17931 24.23612 
1 1 1   12    5   45 o   48.388   14.116   0.7295   5.1244   6.9643   8.6270  -2.6696   6.3699   59.002   22.510   37.774   17.038 21.22770 28.23127 
1 1 1   12    5   46 o  207.394   17.284  109.605   15.822  114.416   27.330  107.180   19.405  207.627   28.165  207.161   20.043 0.4658051 34.56887 
1 1 1   12    5   47 o  132.620   15.921   46.359   8.9563   42.749   15.346   48.224   11.030  125.231   27.013  140.010   16.856 -14.77931 31.84119 
1 1 1   12    5   48 o   90.581   25.376   22.452   11.171   0.0000   0.0000   22.452   11.171  ?   ?    90.581   25.376      ?      ? 
1 1 1   12    5   49 o  211.558   32.814  129.249   32.444  129.249   32.444   0.0000   0.0000  211.558   32.814  ?   ?       ?      ? 
1 1 1   12    5   50 f  108.245   19.991   30.616   9.7404   30.616   9.7404   0.0000   0.0000  108.245   19.991  ?   ?       ?      ? 
1 1 1   12    5   51 o   77.615   23.174   16.409   9.0480   16.409   9.0480   0.0000   0.0000   77.615   23.174  ?   ?       ?      ? 
1 1 1   12    5   52 o   77.484   16.956   16.087   6.8024   12.512   9.0528   20.722   10.309   68.943   23.473   86.026   24.475 -17.08250 33.91179 
1 1 1   12    5   53 o   76.420   15.710   14.668   5.9210   10.051   7.4249   22.732   9.8131   62.482   21.258   90.358   23.137 -27.87566 31.42051 
1 1 1   12    5   54 o   95.151   19.999   21.580   7.9823   16.608   8.8641   42.906   18.358   76.546   22.956  113.756   32.755 -37.20983 39.99853 
1 1 1   12    5   55 o   99.096   14.338   25.189   6.1518   21.611   7.5175   32.443   10.703   89.946   18.501  108.245   21.909 -18.29903 28.67576 
1 1 1   12    5   56 o   95.267   14.625   24.873   6.1093   24.808   7.4644   25.004   10.633   98.378   16.235   92.155   24.330 6.222878 29.24908 
1 1 1   12    5   57 o  125.949   13.354   43.566   7.2795   44.374   9.1420   42.166   12.033  131.290   14.899  120.607   22.165 10.68307 26.70741 
1 1 1   12    5   58 o   85.131   15.161   21.091   5.8666   21.252   7.2802   20.791   9.9072   87.881   18.320   82.381   24.162 5.500282 30.32158 
1 1 1   12    5   59 o   47.252   15.587  -1.2743   7.0813  -0.0756   7.8604  -6.4380   16.315   42.844   19.157   51.659   24.593 -8.814709 31.17389 
1 1 1   12    5   60 o   71.043   17.841   8.9027   5.8666   4.0461   6.3485   37.299   15.351   45.244   18.626   96.842   30.434 -51.59822 35.68144 
1 1 1   12    5   61 o   61.111   15.498   10.203   5.9854   3.5713   7.7587   19.951   9.4066   46.070   19.852   76.153   23.806 -30.08287 30.99696 
1 1 1   12    5   62 o   58.023   15.110   10.198   6.0076   16.001   8.0007   2.6976   9.0963   69.472   21.988   46.574   20.732 22.89806 30.22096 
1 1 1   12    5   63 o   50.781   15.520   4.9237   6.3004   0.8938   7.5830   13.907   11.322   41.071   18.551   60.490   24.885 -19.41928 31.03913 
1 1 1   12    6    0 o  502.178   18.859  599.261   62.190  599.261   62.190  599.261   62.190  502.178   26.670  502.178   26.670 -0.000000 0.000000 
1 1 1   12    6    1 o  666.249   25.574  1070.82   79.538  1128.15  112.487  1013.50  112.481  684.659   35.155  647.839   37.151 36.81982 51.14744 
1 1 1   12    6    2 o  542.217   26.202  719.607   61.995  738.854   75.933  681.128  107.364  556.566   29.193  527.868   43.520 28.69818 52.40444 
1 1 1   12    6    3 o  334.492   14.930  264.968   23.246  292.085   32.884  237.883   32.865  351.827   19.999  317.157   22.172 34.67004 29.85945 
1 1 1   12    6    4 o  215.611   10.800  108.685   10.297  111.033   17.791  107.503   12.627  217.156   17.530  214.067   12.621 3.089600 21.60066 
1 1 1   12    6    5 o  295.781   13.462  209.375   18.246  187.761   27.825  225.679   24.167  281.879   21.121  309.682   16.698 -27.80237 26.92445 
1 1 1   12    6    6 o  263.526   11.998  166.925   14.423  143.537   21.952  184.691   19.133  246.687   19.041  280.364   14.602 -33.67651 23.99511 
1 1 1   12    6    7 o  277.684   13.163  182.020   17.058  193.075   24.118  170.955   24.130  286.207   18.031  269.161   19.182 17.04602 26.32609 
1 1 1   12    6    8 o  202.591   10.973   95.679   10.192   92.305   13.090  100.873   16.243  198.210   14.131  206.972   16.793 -8.762650 21.94687 
1 1 1   12    6    9 o  294.461   16.798  205.822   23.111  200.056   32.636  211.623   32.732  290.265   24.058  298.656   23.451 -8.391815 33.59652 
1 1 1   12    6   10 o  384.408   21.205  354.591   38.001  382.519   53.721  326.620   53.762  399.969   28.739  368.847   31.188 31.12231 42.41013 
1 1 1   12    6   11 o  297.354   17.043  210.024   23.677  204.069   33.507  215.963   33.463  293.071   24.463  301.636   23.737 -8.564880 34.08689 
1 1 1   12    6   12 o   97.959   10.411   22.547   4.7641   23.538   6.8119   21.598   6.6654  100.072   14.565   95.847   14.880 4.224167 20.82210 
1 1 1   12    6   13 o  236.881   12.839  132.640   13.926  130.803   21.929  133.882   18.029  235.278   19.943  238.484   16.176 -3.205322 25.67835 
1 1 1   12    6   14 o  344.738   16.497  273.232   26.145  347.644   41.369  223.742   33.738  382.612   23.135  306.864   23.525 75.74765 32.99464 
1 1 1   12    6   15 o  239.103   13.036  135.234   14.270  134.839   22.543  135.499   18.433  238.527   20.222  239.678   16.456 -1.150772 26.07153 
1 1 1   12    6   16 o  181.808   12.064   78.266   10.230   73.079   14.519   83.381   14.417  175.738   17.678  187.877   16.420 -12.13927 24.12703 
1 1 1   12    6   17 o  162.555   11.481   62.529   8.7151   64.405   12.212   60.582   12.442  165.089   15.827  160.021   16.636 5.067917 22.96251 
1 1 1   12    6   18 o  290.604   16.519  202.805   22.365  184.715   31.636  220.877   31.620  277.289   24.413  303.918   22.262 -26.62952 33.03891 
1 1 1   12    6   19 o  238.389   20.841  138.445   23.204  136.096   33.226  140.681   32.419  236.208   30.099  240.570   28.834 -4.362534 41.68149 
1 1 1   12    6   20 o  170.633   17.361   69.047   13.845   0.0000   0.0000   69.047   13.845  ?   ?   170.633   17.361      ?      ? 
1 1 1   12    6   21 o  255.227   17.537  154.572   20.919   0.0000   0.0000  154.572   20.919  ?   ?   255.227   17.537      ?      ? 
1 1 1   12    6   22 o  194.770   14.375   88.644   11.311   94.395   22.949   86.799   13.000  197.854   24.819  191.687   14.512 6.166611 28.74967 
1 1 1   12    6   23 o  134.852   8.4182   44.339   5.0702   49.314   6.5266   36.768   8.0517  144.907   9.6373  124.796   13.805 20.11058 16.83637 
1 1 1   12    6   24 o  117.497   10.327   32.605   5.6656   30.826   7.8510   34.539   8.1840  114.147   14.717  120.848   14.491 -6.701736 20.65341 
1 1 1   12    6   25 o  294.353   14.258  207.883   19.573  222.948   27.676  192.806   27.686  305.310   19.396  283.396   20.904 21.91385 28.51610 
1 1 1   12    6   26 o  317.965   18.614  258.572   26.144  295.394   33.729  203.152   41.380  350.434   20.595  285.496   31.013 64.93881 37.22836 
1 1 1   12    6   27 o  210.482   12.293  107.146   11.728  111.577   15.062  100.325   18.690  216.706   14.872  204.259   19.579 12.44739 24.58698 
1 1 1   12    6   28 o  175.656   11.330   75.005   8.9732   79.973   11.524   67.354   14.301  183.708   13.422  167.605   18.258 16.10316 22.66070 
1 1 1   12    6   29 o  153.749   11.261   59.582   7.5610   68.673   9.6548   45.162   12.159  170.434   12.121  137.064   18.982 33.37006 22.52154 
1 1 1   12    6   30 f  102.281   15.178   25.759   6.6732   26.127   11.992   25.594   8.0317  101.107   25.408  103.455   16.612 -2.347916 30.35653 
1 1 1   12    6   31 o  272.081   22.198  194.570   25.792  169.572   44.843  206.928   31.529  253.544   37.845  290.618   23.214 -37.07480 44.39688 
1 1 1   12    6   32 o  178.842   15.382   77.551   12.132   76.448   14.855   79.761   21.024  178.204   17.837  179.479   25.064 -1.274307 30.76319 
1 1 1   12    6   33 o  225.705   17.567  127.628   17.376  129.768   21.347  123.426   29.913  231.020   19.772  220.390   29.042 10.62927 35.13337 
1 1 1   12    6   34 o   38.499   11.615  -1.3472   3.9950  -6.4724   5.8554   3.1164   5.4644   31.735   14.997   45.264   17.741 -13.52912 23.23047 
1 1 1   12    6   35 f  248.085   17.551  152.436   17.553  150.128   20.245  159.424   35.232  248.835   17.409  247.335   30.480 1.500183 35.10111 
1 1 1   12    6   36 o  140.828   13.894   47.993   8.2808   47.343   9.8060   49.610   15.460  140.486   14.935  141.169   23.434 -0.6831207 27.78849 
1 1 1   12    6   37 o  262.510   19.252  166.124   22.703  209.593   39.208  144.198   27.846  285.225   29.413  239.794   24.848 45.43094 38.50385 
1 1 1   12    6   38 f  213.441   12.089  106.318   11.778   80.736   15.179  145.031   18.673  182.058   17.840  244.823   16.320 -62.76521 24.17812 
1 1 1   12    6   39 o   73.751   14.201   13.865   5.0433   15.697   7.2747   12.170   6.9978   78.235   19.861   69.267   20.304 8.967674 28.40273 
1 1 1   12    6   40 o  118.546   10.993   34.535   5.8586   36.079   7.4510   32.034   9.4820  122.700   12.994  114.393   17.736 8.307037 21.98654 
1 1 1   12    6   41 o   90.914   12.662   21.707   5.0447   24.893   6.4075   16.513   8.1821  101.858   13.460   79.970   21.450 21.88761 25.32320 
1 1 1   12    6   42 o  188.338   13.192   90.338   11.049  101.271   14.251   73.862   17.495  204.836   14.886  171.839   21.784 32.99760 26.38469 
1 1 1   12    6   43 o  118.433   11.016   33.893   5.9040   33.788   7.4748   34.068   9.6268  118.696   13.475  118.169   17.431 0.5262527 22.03241 
1 1 1   12    6   44 o   63.720   13.044   8.6887   4.2848   4.0427   5.3845   16.711   7.0754   46.791   17.800   80.649   19.072 -33.85789 26.08761 
1 1 1   12    6   45 o   58.886   14.438   7.8401   4.8861   10.537   7.3007   5.6525   6.5758   64.949   21.052   52.824   19.764 12.12539 28.87571 
1 1 1   12    6   46 o   74.229   14.805   14.283   5.3396   13.979   8.0393   14.523   7.1426   73.517   21.820   74.941   20.015 -1.424362 29.60968 
1 1 1   12    6   47 o  170.494   15.067   67.622   11.336   95.142   20.624   55.710   13.569  192.052   22.978  148.936   19.494 43.11563 30.13351 
1 1 1   12    6   48 o   54.241   20.248   6.2085   6.8939   0.0000   0.0000   6.2085   6.8939  ?   ?    54.241   20.248      ?      ? 
1 1 1   12    6   49 o   46.380   20.511  -1.1503   8.7619   0.0000   0.0000  -1.1503   8.7619  ?   ?    46.380   20.511      ?      ? 
1 1 1   12    6   50 o   49.718   20.875   2.4006   8.2018   2.4006   8.2018   0.0000   0.0000   49.718   20.875  ?   ?       ?      ? 
1 1 1   12    6   51 f   67.222   16.599   11.593   6.4025   11.816   8.6270   11.320   9.5526   67.428   22.914   67.016   24.020 0.4117813 33.19711 
1 1 1   12    6   52 o   54.501   16.015   4.0621   6.4501   3.6845   7.9588   4.7846   11.010   50.897   20.893   58.105   24.277 -7.208481 32.02924 
1 1 1   12    6   53 o   55.150   15.644   5.4047   5.5747   4.7248   6.5076   7.2793   10.806   49.566   19.379   60.734   24.563 -11.16883 31.28712 
1 1 1   12    6   54 o   45.381   14.117  -0.9848   5.6955  -4.0332   7.2477   3.9375   9.2096   37.939   17.511   52.823   22.146 -14.88344 28.23317 
1 1 1   12    6   55 o   72.490   15.722   9.6901   5.4576   4.4894   6.2054   27.451   11.468   48.190   18.900   96.791   25.129 -48.60090 31.44383 
1 1 1   12    6   56 o   46.854   12.821   2.2142   5.1946   9.3616   5.9172 -21.8037   10.847   58.904   18.938   34.805   17.288 24.09889 25.64235 
1 1 1   12    6   57 o   64.273   15.734   12.197   6.5237   17.398   7.9578   1.5396   11.392   76.853   21.377   51.692   23.091 25.16115 31.46746 
1 1 1   12    6   58 o   53.647   15.564   5.4976   5.7590   4.5683   6.8215   7.8035   10.745   48.485   19.549   58.810   24.224 -10.32530 31.12831 
1 1 1   12    6   59 o   59.734   15.391   10.561   5.3160   11.332   6.0412   7.9130   11.190   62.313   19.011   57.155   24.211 5.157784 30.78267 
1 1 1   12    6   60 o   58.876   15.774   10.622   5.9469   11.483   7.4334   9.0920   9.9122   60.921   21.247   56.831   23.321 4.090481 31.54863 
1 1 1   12    6   61 o   52.541   14.617   7.8330   5.3510   9.5233   6.6194   4.6452   9.0901   55.995   20.003   49.087   21.319 6.907513 29.23394 
1 1 1   12    6   62 o   48.564   14.808   4.0513   6.0623   9.0087   9.5260   0.6769   7.8591   55.105   22.765   42.024   18.943 13.08042 29.61521 
1 1 1   12    6   63 o   46.739   15.585  -1.3315   6.7299  -5.1581   7.5179   14.104   15.099   34.535   16.511   58.943   26.439 -24.40805 31.17092 
1 1 1   12    7    0 o  366.427   14.605  318.501   35.113  318.501   35.113  318.501   35.113  366.427   20.654  366.427   20.654 -0.000000 0.000000 
1 1 1   12    7    1 o  221.359   9.7536  113.676   10.018  127.120   15.328  103.652   13.237  232.618   14.100  210.099   13.481 22.51886 19.50721 
1 1 1   12    7    2 o  581.536   25.507  818.043   69.321  811.981   98.033  824.105   98.036  579.305   36.209  583.766   35.934 -4.460449 51.01318 
1 1 1   12    7    3 o  321.989   20.594  242.955   29.439  263.609   51.067  232.675   36.028  331.000   33.012  312.978   24.631 18.02222 41.18841 
1 1 1   12    7    4 o  270.942   18.414  179.065   18.361  167.550   41.013  181.951   20.533  263.793   33.267  278.091   15.799 -14.29883 36.82802 
1 1 1   12    7    5 o  151.024   9.5581   55.353   6.4882   45.633   10.126   62.124   8.4509  139.276   15.557  162.772   11.109 -23.49606 19.11629 
1 1 1   12    7    6 o  273.030   13.837  175.118   17.338  181.001   27.422  171.200   22.380  276.576   21.215  269.485   17.770 7.091339 27.67372 
1 1 1   12    7    7 o  213.202   12.743  109.618   12.256   96.735   19.419  118.147   15.801  202.265   20.542  224.140   15.084 -21.87486 25.48598 
1 1 1   12    7    8 o  282.521   13.840  185.774   18.009  173.404   23.257  204.296   28.459  271.129   18.354  293.912   20.719 -22.78314 27.67947 
1 1 1   12    7    9 o  182.620   10.394   77.520   8.7349   73.673   11.283   83.274   13.799  177.106   13.632  188.135   15.694 -11.02939 20.78790 
1 1 1   12    7   10 o   69.125   10.422   11.778   3.2582   13.030   4.2058   9.8986   5.1527   74.523   12.076   63.726   16.991 10.79697 20.84488 
1 1 1   12    7   11 o  291.000   15.022  199.612   20.055  204.578   31.693  196.296   25.900  293.673   23.092  288.328   19.220 5.345001 30.04445 
1 1 1   12    7   12 o  352.818   17.556  294.494   28.435  305.890   44.963  286.899   36.709  357.915   26.880  347.721   22.589 10.19391 35.11116 
1 1 1   12    7   13 o  248.903   14.048  150.910   15.718  128.582   24.799  165.901   20.320  232.550   22.818  265.256   16.391 -32.70636 28.09514 
1 1 1   12    7   14 o  390.920   22.019  370.554   40.208  357.763   56.886  383.326   56.841  383.918   31.705  397.922   30.565 -14.00351 44.03844 
1 1 1   12    7   15 o  382.009   21.512  355.409   38.257  320.612   54.099  390.217   54.109  362.517   31.932  401.501   28.836 -38.98450 43.02491 
1 1 1   12    7   16 o  262.177   15.291  164.466   18.670  179.849   26.390  149.051   26.417  274.748   20.552  249.607   22.646 25.14055 30.58142 
1 1 1   12    7   17 o  443.988   35.200  537.685   65.991  445.403  114.231  583.910   80.846  402.596   60.712  485.379   35.640 -82.78314 70.39973 
1 1 1   12    7   18 o  329.020   23.332  271.110   30.467  256.435   61.128  275.961   35.144  318.426   41.076  339.614   22.142 -21.18777 46.66388 
1 1 1   12    7   19 o  158.554   16.822   63.707   10.859   55.279   19.591   67.445   13.047  148.359   29.295  168.750   16.543 -20.39145 33.64317 
1 1 1   12    7   20 o  300.688   24.414  217.639   34.308   0.0000   0.0000  217.639   34.308  ?   ?   300.688   24.414      ?      ? 
1 1 1   12    7   21 o  281.628   18.212  188.406   20.916  198.762   41.664  184.917   24.185  284.445   31.341  278.811   18.560 5.633972 36.42471 
1 1 1   12    7   22 o  258.653   15.858  160.837   19.128  172.269   27.006  149.327   27.096  268.154   21.549  249.152   23.270 19.00188 31.71566 
1 1 1   12    7   23 o  205.410   13.511  100.688   12.952   93.792   18.174  107.804   18.462  198.147   19.626  212.674   18.574 -14.52773 27.02180 
1 1 1   12    7   24 o  151.133   11.850   55.335   8.1664   42.273   11.686   67.802   11.417  133.031   18.797  169.234   14.434 -36.20345 23.69944 
1 1 1   12    7   25 o  116.262   10.125   30.867   5.3591   27.220   6.7181   37.249   8.8870  107.264   13.401  125.259   15.181 -17.99500 20.24990 
1 1 1   12    7   26 o  252.226   18.182  151.894   20.370  169.820   35.453  143.060   24.888  261.390   29.022  243.061   21.910 18.32861 36.36335 
1 1 1   12    7   27 o  340.723   19.555  288.923   30.833  244.692   43.571  333.287   43.638  312.919   29.794  368.526   25.337 -55.60699 39.11032 
1 1 1   12    7   28 o  109.264   11.922   29.151   5.8162   36.426   8.3411   22.266   8.1142  123.835   14.413   94.693   18.996 29.14191 23.84464 
1 1 1   12    7   29 f  136.930   11.141   44.668   7.1234   43.337   9.8329   46.138   10.334  134.812   15.607  139.047   15.902 -4.235184 22.28102 
1 1 1   12    7   30 o  259.043   14.729  163.383   17.714  142.004   24.970  185.042   25.133  241.300   22.142  276.785   19.429 -35.48534 29.45782 
1 1 1   12    7   31 o  288.933   21.062  203.189   28.441  203.189   28.441   0.0000   0.0000  288.933   21.062  ?   ?       ?      ? 
1 1 1   12    7   32 o   58.658   13.613   6.6727   3.5924   5.5785   3.9936   11.313   8.2240   48.690   15.548   68.625   22.350 -19.93438 27.22615 
1 1 1   12    7   33 o  202.478   16.930  103.983   14.954  108.415   18.437   95.462   25.564  211.309   18.670  193.647   28.247 17.66216 33.85930 
1 1 1   12    7   34 o  139.461   11.654   47.117   7.5638   42.754   10.780   51.348   10.616  132.832   17.365  146.089   15.549 -13.25636 23.30862 
1 1 1   12    7   35 o  285.866   20.667  203.523   26.320  187.348   32.185  236.177   45.729  272.745   25.250  298.986   32.727 -26.24155 41.33491 
1 1 1   12    7   36 o  171.321   19.393   80.644   13.331   89.062   16.123   62.456   23.699  191.630   18.003  151.012   34.354 40.61821 38.78552 
1 1 1   12    7   37 o  155.942   13.642   56.692   9.5608   70.122   16.472   49.870   11.741  168.584   20.907  143.299   17.531 25.28481 27.28477 
1 1 1   12    7   38 o  260.946   16.249  171.156   19.813  174.850   28.106  167.507   27.935  263.896   22.789  257.995   23.169 5.900604 32.49818 
1 1 1   12    7   39 o  171.760   13.071   73.302   10.319   59.305   14.695   86.918   14.494  154.501   20.352  189.020   16.408 -34.51939 26.14228 
1 1 1   12    7   40 o  152.882   10.438   55.477   7.3111   52.053   9.3380   60.901   11.752  147.256   13.569  158.509   15.865 -11.25356 20.87573 
1 1 1   12    7   41 o  133.667   16.171   46.616   9.0096   48.437   10.920   42.735   15.944  141.125   16.557  126.210   27.784 14.91526 32.34298 
1 1 1   12    7   42 f  126.876   19.213   42.895   11.042   42.356   15.936   43.393   15.314  125.715   27.857  128.038   26.467 -2.322899 38.42530 
1 1 1   12    7   43 o  127.227   14.353   38.683   8.2580   34.504   10.249   46.419   13.944  118.441   18.515  136.013   21.936 -17.57218 28.70524 
1 1 1   12    7   44 o  140.199   18.667   52.836   11.865   57.545   16.169   47.342   17.465  149.845   23.089  130.553   29.339 19.29170 37.33468 
1 1 1   12    7   45 o  119.666   16.784   38.304   8.5792   40.335   10.461   34.132   14.994  128.078   17.476  111.253   28.661 16.82496 33.56894 
1 1 1   12    7   46 o  108.667   18.902   32.627   9.5832   36.605   13.088   28.031   14.070  116.979   24.715  100.354   28.607 16.62482 37.80474 
1 1 1   12    7   47 o  150.968   20.493   63.617   13.926   64.013   20.049   63.248   19.358  151.023   29.464  150.912   28.492 0.1116180 40.98640 
1 1 1   12    7   48 o  129.307   29.368   47.676   17.343   47.676   17.343   0.0000   0.0000  129.307   29.368  ?   ?       ?      ? 
1 1 1   12    7   49 o   85.051   21.905   19.445   8.7600   19.445   8.7600   0.0000   0.0000   85.051   21.905  ?   ?       ?      ? 
1 1 1   12    7   50 o   66.683   22.918   11.401   8.6330   11.401   8.6330   0.0000   0.0000   66.683   22.918  ?   ?       ?      ? 
1 1 1   12    7   51 o  153.430   20.730   68.320   14.479   79.039   20.494   57.637   20.459  169.570   25.861  137.291   32.407 32.27850 41.46075 
1 1 1   12    7   52 o  130.431   20.576   50.035   12.163   53.156   18.307   47.568   16.275  133.153   30.123  127.710   28.037 5.443008 41.15139 
1 1 1   12    7   53 o   52.376   14.875   4.8588   5.5881   3.0594   7.6867   6.8757   8.1381   48.690   20.309   56.061   21.739 -7.370995 29.74959 
1 1 1   12    7   54 o   93.129   16.791   22.703   7.2374   15.909   8.9620   35.439   12.272   74.958   23.204  111.301   24.275 -36.34266 33.58160 
1 1 1   12    7   55 o   52.688   20.337   6.0712   7.0965   6.0712   7.0965   0.0000   0.0000   52.688   20.337  ?   ?       ?      ? 
1 1 1   12    7   56 o  110.013   13.756   26.516   6.3352   16.115   7.3496   56.585   12.497   74.962   20.423  145.063   18.433 -70.10142 27.51184 
1 1 1   12    7   57 o   42.818   13.723  -1.1377   5.5699  -0.9429   6.7351  -1.5591   9.9069   39.510   17.695   46.126   20.981 -6.615967 27.44660 
1 1 1   12    7   58 o   47.299   13.205   3.9513   4.9860   8.5595   5.6771 -11.5947   10.427   55.833   18.588   38.764   18.762 17.06902 26.41045 
1 1 1   12    7   59 o   39.649   12.817  -3.4979   5.8229   3.0173   7.0806 -17.1106   10.235   44.847   19.136   34.452   17.056 10.39507 25.63419 
1 1 1   12    7   60 o   68.581   16.522   14.022   5.6617   11.738   6.5054   21.151   11.496   61.846   19.854   75.316   26.414 -13.46944 33.04398 
1 1 1   12    7   61 o   46.931   14.294   1.9228   5.0403  -1.1819   5.8384   11.007   9.9869   35.311   16.079   58.552   23.637 -23.24101 28.58789 
1 1 1   12    7   62 o   37.571   12.351  -2.2985   5.2762   0.1069   6.7336  -6.1245   8.4922   38.749   17.494   36.394   17.439 2.355576 24.70130 
1 1 1   12    7   63 o   42.932   14.590  -2.9852   5.8240  -5.3395   6.3613   9.2117   14.479   31.439   15.072   54.424   24.985 -22.98440 29.17900 
1 1 1   12    8    0 o  238.583   14.347  136.622   22.247  136.622   22.247  136.622   22.247  238.583   20.290  238.583   20.290 -0.000000 0.000000 
1 1 1   12    8    1 o  206.199   12.237  100.603   11.724   88.508   16.619  112.586   16.542  193.702   18.359  218.696   16.185 -24.99446 24.47431 
1 1 1   12    8    2 o  463.237   31.099  507.253   64.490  458.291   79.011  604.969  111.620  433.683   38.983  492.792   48.466 -59.10864 62.19826 
1 1 1   12    8    3 o  293.682   23.142  207.819   31.682  225.501   44.971  190.394   44.641  306.439   31.401  280.925   34.002 25.51382 46.28344 
1 1 1   12    8    4 o  448.532   39.837  514.483   82.555  432.761  116.837  595.962  116.664  409.575   61.039  487.488   51.207 -77.91263 79.67369 
1 1 1   12    8    5 o  377.391   19.923  338.452   34.510  331.437   44.583  348.938   54.510  373.255   25.558  381.527   30.571 -8.272217 39.84698 
1 1 1   12    8    6 o  523.467   23.714  675.069   55.970  729.453   72.291  593.685   88.434  552.780   27.983  494.153   38.292 58.62640 47.42713 
1 1 1   12    8    7 o  487.772   33.864  624.932   63.974  658.411   73.878  524.571  127.911  524.235   30.154  451.308   60.645 72.92630 67.72779 
1 1 1   12    8    8 f  332.479   17.387  265.509   26.291  275.909   33.921  249.861   41.608  341.430   21.258  323.528   27.518 17.90164 34.77301 
1 1 1   12    8    9 o  251.505   13.354  149.429   15.361  149.613   19.797  149.150   24.349  251.975   16.812  251.035   20.754 0.9395447 26.70889 
1 1 1   12    8   10 o  643.288   32.209  1027.78   94.905  1014.88  122.507  1047.13  150.084  642.189   40.818  644.387   49.836 -2.197754 64.41885 
1 1 1   12    8   11 o  160.401   13.367   60.159   9.6217   58.351   11.953   63.487   16.215  157.281   16.262  163.520   21.218 -6.239624 26.73331 
1 1 1   12    8   12 o  159.497   13.401   60.266   9.5089   60.195   11.772   60.399   16.131  159.708   15.771  159.285   21.670 0.4223785 26.80115 
1 1 1   12    8   13 o  199.253   15.584   96.068   13.588   98.756   16.677   90.760   23.436  204.225   17.472  194.282   25.811 9.943466 31.16894 
1 1 1   12    8   14 o  361.042   30.004  330.074   50.599  342.008   71.582  318.157   71.532  368.099   41.610  353.985   43.239 14.11389 60.00841 
1 1 1   12    8   15 o  400.348   33.896  415.452   63.412  421.272   89.562  409.602   89.795  403.523   47.491  397.173   48.376 6.350525 67.79131 
1 1 1   12    8   16 o  443.035   39.056  527.232   80.587  570.734  113.885  483.605  114.048  464.122   52.504  421.948   57.834 42.17377 78.11207 
1 1 1   12    8   17 o  107.488   16.661   28.750   8.1198   28.720   11.059   28.786   11.960  107.583   22.708  107.392   24.387 0.1906662 33.32204 
1 1 1   12    8   18 o  166.783   15.115   68.920   10.873   73.609   13.343   59.654   18.759  176.331   16.191  157.234   25.528 19.09689 30.22980 
1 1 1   12    8   19 o  186.280   14.732   80.267   12.321   74.033   15.184   92.287   21.082  176.469   18.410  196.091   23.005 -19.62134 29.46456 
1 1 1   12    8   20 o  134.039   16.366   43.659   10.021   39.948   13.794   47.807   14.583  126.863   24.148  141.216   22.096 -14.35305 32.73184 
1 1 1   12    8   21 o  157.483   19.385   64.934   13.268   93.546   18.552   34.979   18.982  197.880   20.061  117.086   33.176 80.79465 38.76967 
1 1 1   12    8   22 o  131.739   13.331   39.834   7.8067   36.621   9.5000   46.515   13.700  124.206   16.366  139.272   21.048 -15.06664 26.66225 
1 1 1   12    8   23 o  236.650   18.945  141.503   19.322  150.551   23.709  123.611   33.340  250.540   20.249  222.760   32.025 27.78015 37.88923 
1 1 1   12    8   24 o  141.684   11.396   47.799   7.5340   44.549   10.617   51.096   10.693  136.749   16.612  146.619   15.605 -9.869827 22.79206 
1 1 1   12    8   25 o  117.342   11.311   32.949   6.1625   37.058   8.6929   28.798   8.7375  124.879   14.895  109.806   17.026 15.07314 22.62186 
1 1 1   12    8   26 o   83.501   12.869   17.390   4.8950   20.478   6.9361   14.326   6.9093   91.234   16.889   75.767   19.422 15.46624 25.73827 
1 1 1   12    8   27 o   89.169   15.177   21.193   6.2358   24.797   7.5728   13.602   10.991  101.994   15.887   76.345   25.864 25.64912 30.35367 
1 1 1   12    8   28 o  272.799   24.192  191.018   30.842  190.297   43.580  191.742   43.655  272.255   34.251  273.342   34.173 -1.086761 48.38311 
1 1 1   12    8   29 o  162.217   14.112   65.079   9.6507   67.175   11.534   60.186   17.623  167.942   14.695  156.491   24.096 11.45090 28.22355 
1 1 1   12    8   30 o  126.502   14.194   38.099   8.3914   38.099   8.3914   0.0000   0.0000  126.502   14.194  ?   ?       ?      ? 
1 1 1   12    8   31 o  139.328   16.152   46.554   10.517   46.554   10.517   0.0000   0.0000  139.328   16.152  ?   ?       ?      ? 
1 1 1   12    8   32 o  140.408   11.590   42.242   6.5497   37.822   7.3977   58.271   14.089  126.127   12.550  154.690   19.488 -28.56277 23.17935 
1 1 1   12    8   33 o  122.847   14.696   40.081   6.5424   41.926   7.4051   33.517   13.967  132.805   11.931  112.889   26.862 19.91586 29.39229 
1 1 1   12    8   34 o  190.243   18.741  101.289   12.849  109.294   14.782   76.546   25.988  213.402   14.821  167.083   34.427 46.31929 37.48180 
1 1 1   12    8   35 o  134.240   17.719   55.035   9.7146   69.414   11.829   25.242   17.027  170.170   14.874   98.310   32.165 71.86057 35.43782 
1 1 1   12    8   36 o  185.415   19.674   89.618   16.173   67.229   22.614  113.062   23.140  157.942   31.738  212.887   23.258 -54.94458 39.34754 
1 1 1   12    8   37 o  235.983   15.349  130.629   16.115  113.954   19.529  166.219   28.531  215.225   19.415  256.740   23.778 -41.51501 30.69781 
1 1 1   12    8   38 o  124.488   18.822   41.332   10.620   39.066   15.157   43.516   14.884  120.562   27.509  128.415   25.697 -7.853096 37.64372 
1 1 1   12    8   39 o  162.945   14.777   64.227   10.808   59.685   13.345   72.886   18.424  155.967   18.308  169.923   23.200 -13.95557 29.55356 
1 1 1   12    8   40 o  166.633   15.181   67.921   11.154   65.149   13.584   73.659   19.545  163.180   17.812  170.086   24.588 -6.906082 30.36157 
1 1 1   12    8   41 o  168.435   17.002   74.005   11.926   76.725   14.508   68.338   20.943  177.238   17.515  159.631   29.146 17.60712 34.00391 
1 1 1   12    8   42 o   73.618   15.948   14.495   6.4048   18.865   7.7473   5.0596   11.384   85.857   19.723   61.380   25.067 24.47699 31.89599 
1 1 1   12    8   43 o  129.279   14.850   40.303   8.5547   33.425   10.659   52.753   14.342  113.931   20.783  144.628   21.218 -30.69756 29.70093 
1 1 1   12    8   44 o  135.000   14.133   41.509   8.4435   33.558   10.138   59.515   15.256  116.356   18.643  153.645   21.246 -37.28912 28.26570 
1 1 1   12    8   45 o  124.637   15.889   38.069   8.5230   32.903   10.375   48.789   14.946  113.218   20.357  136.056   24.401 -22.83746 31.77785 
1 1 1   12    8   46 o   42.740   14.247 -10.4336   7.3891  -5.2384   10.935 -14.7996   10.024   47.669   21.820   37.811   18.323 9.857777 28.49334 
1 1 1   12    8   47 o   51.643   15.013  -1.9112   6.5794   10.692   9.9129 -11.8344   8.7962   66.963   24.404   36.323   17.493 30.63994 30.02630 
1 1 1   12    8   48 o  142.780   18.107   51.166   12.082   51.166   12.082   0.0000   0.0000  142.780   18.107  ?   ?       ?      ? 
1 1 1   12    8   49 o   73.701   23.746   14.549   9.2989   14.549   9.2989   0.0000   0.0000   73.701   23.746  ?   ?       ?      ? 
1 1 1   12    8   50 o  108.208   16.785   32.504   8.1890   34.622   10.372   29.000   13.343  116.383   19.070  100.033   27.628 16.34956 33.57000 
1 1 1   12    8   51 o   84.943   19.054   20.483   8.2321   20.881   14.261   20.284   10.081   84.783   29.438   85.104   24.199 -0.3210602 38.10775 
1 1 1   12    8   52 o   61.275   17.312   7.9378   7.4189   4.2238   12.838   9.7998   9.0903   59.623   25.612   62.928   23.298 -3.304966 34.62334 
1 1 1   12    8   53 o  117.725   16.908   38.909   8.8298   36.655   11.348   42.369   14.058  115.053   21.904  120.397   25.762 -5.343697 33.81520 
1 1 1   12    8   54 o   45.122   14.441  -2.1290   6.4526  -3.0299   10.111  -1.5099   8.3812   46.329   21.121   43.914   19.698 2.414932 28.88102 
1 1 1   12    8   55 o   63.888   17.463   7.9181   7.3585   19.283   12.604   2.0406   9.0637   78.521   27.649   49.255   21.340 29.26596 34.92679 
1 1 1   12    8   56 o   83.816   14.030   11.575   6.7471   45.420   12.423  -2.5865   8.0355  126.891   20.948   40.741   18.670 86.15019 28.06027 
1 1 1   12    8   57 o   70.258   14.527   14.366   6.2739   23.755   8.1278   0.5245   9.8686   92.157   19.481   48.360   21.556 43.79664 29.05415 
1 1 1   12    8   58 o   58.972   12.863   3.3458   5.1497  -8.1003   6.4861   22.868   8.4706   30.674   14.834   87.269   21.019 -56.59470 25.72643 
1 1 1   12    8   59 o   46.168   12.901  -2.4767   5.1643 -14.2793   6.8115   13.480   7.9201   27.229   13.553   65.106   21.956 -37.87778 25.80276 
1 1 1   12    8   60 o   46.814   13.831   3.4632   5.5014   9.0045   7.4258  -3.2786   8.1907   54.907   20.899   38.720   18.121 16.18761 27.66170 
1 1 1   12    8   61 o   48.277   13.494   3.4501   5.6822 -11.3877   9.3321   12.192   7.1632   34.950   17.100   61.604   20.880 -26.65393 26.98887 
1 1 1   12    8   62 o   45.412   18.715   5.1463   6.4180   5.1463   6.4180   0.0000   0.0000   45.412   18.715  ?   ?       ?      ? 
1 1 1   12    9    0 o  571.089   32.496  799.164  120.830  799.164  120.830  799.164  120.830  571.089   45.957  571.089   45.957 -0.000000 0.000000 
1 1 1   12    9    1 o  610.220   51.087  1040.50  131.258  867.654  227.384  1126.88  160.744  550.865   88.323  669.575   51.368 -118.7096 102.1741 
1 1 1   12    9    2 o  228.599   17.389  130.320   17.032  141.849   20.922  107.670   29.326  245.205   18.257  211.993   29.600 33.21172 34.77757 
1 1 1   12    9    3 o  295.609   23.323  210.857   32.154  227.196   45.636  194.751   45.310  307.318   31.774  283.901   34.150 23.41760 46.64571 
1 1 1   12    9    4 o  252.106   29.998  152.522   35.344   0.0000   0.0000  152.522   35.344  ?   ?   252.106   29.998      ?      ? 
1 1 1   12    9    5 o  406.288   28.160  409.202   49.975  418.598   61.263  390.513   86.403  416.918   31.442  395.657   46.727 21.26163 56.32025 
1 1 1   12    9    6 o  427.708   28.533  440.586   54.158  420.848   66.292  480.198   93.913  416.676   34.042  438.740   45.801 -22.06320 57.06653 
1 1 1   12    9    7 o  355.568   22.954  296.305   36.386  274.805   44.504  339.655   63.193  338.306   28.148  372.829   36.267 -34.52316 45.90883 
1 1 1   12    9    8 o  550.440   43.190  825.062  101.842  866.453  124.701  742.167  176.475  586.700   45.479  514.179   73.439 72.52100 86.38078 
1 1 1   12    9    9 o  415.911   32.788  421.828   63.732  421.828   63.732   0.0000   0.0000  415.911   32.788  ?   ?       ?      ? 
1 1 1   12    9   10 o  133.804   15.168   42.252   9.4852   42.252   9.4852   0.0000   0.0000  133.804   15.168  ?   ?       ?      ? 
1 1 1   12    9   11 o  130.243   15.233   40.060   9.2723   40.060   9.2723   0.0000   0.0000  130.243   15.233  ?   ?       ?      ? 
1 1 1   12    9   12 o  236.315   29.005  135.650   32.033  135.650   32.033   0.0000   0.0000  236.315   29.005  ?   ?       ?      ? 
1 1 1   12    9   13 f   85.438   16.717   18.096   6.8811   18.760   9.1865   17.248   10.386   86.938   22.453   83.938   24.774 3.000069 33.43433 
1 1 1   12    9   14 o  324.150   27.212  263.253   41.222  265.496   58.144  260.986   58.449  325.699   38.199  322.600   38.768 3.099487 54.42486 
1 1 1   12    9   15 o  478.075   40.212  624.560   87.246  474.701  123.234  775.156  123.536  410.926   64.169  545.224   48.482 -134.2989 80.42461 
1 1 1   12    9   16 o  213.985   15.260  103.501   14.587   90.594   17.760  130.260   25.572  195.057   19.482  232.912   23.493 -37.85483 30.51975 
1 1 1   12    9   17 o  350.741   23.909  296.907   37.239  281.320   45.552  328.314   64.661  339.914   28.674  361.568   38.266 -21.65427 47.81711 
1 1 1   12    9   18 o  360.871   20.559  318.001   34.643  303.532   49.014  332.444   48.971  352.293   29.770  369.450   28.362 -17.15686 41.11751 
1 1 1   12    9   19 o  231.874   18.543  135.878   18.417  114.942   31.846  146.398   22.574  216.002   31.547  247.746   19.497 -31.74327 37.08543 
1 1 1   12    9   20 o  292.880   21.402  209.014   27.712  217.277   47.883  204.852   33.982  294.860   34.748  290.901   24.995 3.958984 42.80382 
1 1 1   12    9   21 o  357.695   28.140  346.707   42.225  274.094   72.967  383.264   51.774  319.836   48.816  395.554   28.007 -75.71786 56.27924 
1 1 1   12    9   22 o  183.287   12.466   80.166   10.670   83.871   15.115   76.486   15.065  187.592   17.241  178.983   18.010 8.609161 24.93226 
1 1 1   12    9   23 o  259.161   15.315  162.366   18.545  158.331   26.230  166.399   26.224  255.829   21.938  262.492   21.377 -6.663071 30.63091 
1 1 1   12    9   24 o  194.415   13.057   91.318   11.736   76.719   16.664  105.684   16.530  178.455   19.980  210.374   16.813 -31.91856 26.11326 
1 1 1   12    9   25 o  377.788   21.870  358.593   38.600  348.607   54.601  368.571   54.578  372.128   31.395  383.447   30.455 -11.31921 43.74008 
1 1 1   12    9   26 o  138.484   13.820   42.911   8.3236   55.429   15.518   37.855   9.8624  151.106   21.975  125.862   16.767 25.24397 27.64056 
1 1 1   12    9   27 o  223.567   20.534  125.763   21.198  104.219   29.820  147.774   30.141  202.808   31.461  244.326   26.396 -41.51764 41.06786 
1 1 1   12    9   28 o   71.451   15.306   12.626   4.9572   12.626   4.9572   0.0000   0.0000   71.451   15.306  ?   ?       ?      ? 
1 1 1   12    9   29 o  135.213   13.944   43.504   8.8115   43.504   8.8115   0.0000   0.0000  135.213   13.944  ?   ?       ?      ? 
1 1 1   12    9   30 o  217.703   13.650  112.846   13.888  112.846   13.888   0.0000   0.0000  217.703   13.650  ?   ?       ?      ? 
1 1 1   12    9   31 o  141.790   17.131   56.420   9.7557   65.861   11.906   37.128   17.019  165.714   15.373  117.867   30.620 47.84737 34.26212 
1 1 1   12    9   32 o  202.447   16.021   99.463   14.438   94.417   17.718  109.440   24.911  196.616   19.282  208.279   25.592 -11.66292 32.04286 
1 1 1   12    9   33 o  109.540   12.590   27.006   5.1765   25.159   5.7875   34.390   11.574  102.849   12.041  116.231   22.115 -13.38228 25.18064 
1 1 1   12    9   34 o  122.290   14.405   35.840   7.6055   33.257   9.2445   41.251   13.379  117.369   16.853  127.212   23.365 -9.843178 28.80913 
1 1 1   12    9   35 o  151.589   17.217   57.640   12.191   57.362   16.960   57.938   17.536  151.369   23.974  151.810   24.717 -0.4406891 34.43345 
1 1 1   12    9   36 o  278.793   26.759  217.749   34.827  227.152   49.186  208.296   49.319  286.103   36.785  271.482   38.872 14.62143 53.51793 
1 1 1   12    9   37 o  194.540   21.573  102.895   18.592  126.927   26.188   78.474   26.399  222.638   25.169  166.443   35.045 56.19458 43.14648 
1 1 1   12    9   38 o   67.055   14.003   12.143   4.4858   13.791   5.0521   6.0057   9.7510   74.333   15.059   59.777   23.613 14.55629 28.00648 
1 1 1   12    9   39 o   61.335   14.172   9.6005   4.3066   10.961   4.7202   2.8407   10.520   66.055   15.548   56.615   23.699 9.440220 28.34417 
1 1 1   12    9   40 o  191.079   17.680  105.955   11.703  116.394   13.404   72.479   24.003  220.436   13.011  161.723   32.878 58.71259 35.35923 
1 1 1   12    9   41 o  207.517   21.552  116.144   19.478  154.810   28.004   79.910   27.109  247.037   24.256  167.998   35.632 79.03920 43.10449 
1 1 1   12    9   42 o  113.996   16.533   34.420   8.1202   35.818   9.8951   31.539   14.209  120.705   17.541  107.286   28.030 13.41930 33.06632 
1 1 1   12    9   43 f  110.918   15.800   31.100   7.6705   27.968   9.5660   36.741   12.837  104.112   20.390  117.724   24.143 -13.61211 31.60097 
1 1 1   12    9   44 o  147.828   14.823   55.288   8.2325   55.180   9.3726   55.653   17.222  151.393   13.247  144.262   26.522 7.130905 29.64585 
1 1 1   12    9   45 o   62.026   15.841   8.9768   5.5580   10.033   6.4139   5.7921   11.136   62.983   19.652   61.070   24.850 1.913673 31.68173 
1 1 1   12    9   46 o  135.694   19.745   51.562   12.261   42.318   17.929   59.683   16.805  120.333   31.509  151.055   23.805 -30.72211 39.49036 
1 1 1   12    9   47 o  148.387   17.328   54.887   12.017   54.887   12.017   0.0000   0.0000  148.387   17.328  ?   ?       ?      ? 
1 1 1   12    9   48 o   35.420   15.610  -0.9113   5.0328  -0.9113   5.0328   0.0000   0.0000   35.420   15.610  ?   ?       ?      ? 
1 1 1   12    9   49 o  105.425   16.387   26.792   7.9826   16.539   9.8427   46.498   13.645   77.666   24.363  133.185   21.922 -55.51968 32.77414 
1 1 1   12    9   50 o   70.845   15.171   13.661   6.2545   20.617   8.0220   2.8792   9.9881   87.897   19.981   53.794   22.835 34.10347 30.34230 
1 1 1   12    9   51 o   74.876   17.650   10.869   7.7630   28.904   13.258   1.4604   9.5764   98.911   27.621   50.841   21.981 48.06999 35.30009 
1 1 1   12    9   52 o   97.166   16.793   27.168   7.5099   27.889   9.8560   26.170   11.596  100.254   21.668   94.077   25.663 6.177315 33.58679 
1 1 1   12    9   53 o   73.017   18.235   15.172   7.8140   12.272   12.502   17.031   10.010   69.104   26.903   76.931   24.622 -7.826447 36.46913 
1 1 1   12    9   54 f   69.936   13.872   11.131   6.4202   26.584   8.8428  -6.0953   9.3364   98.537   19.887   41.335   19.346 57.20277 27.74463 
1 1 1   12    9   55 o   52.094   14.093   6.1959   4.6907   4.9148   5.9820   8.2412   7.5586   47.714   18.600   56.473   21.178 -8.758934 28.18619 
1 1 1   12    9   56 o   34.643   11.725  -7.9785   5.3874  -7.6406   7.3911  -8.3615   7.8692   34.263   16.378   35.023   16.783 -0.7597198 23.45033 
1 1 1   12    9   57 o   62.202   16.267   7.8886   6.8099   20.996   10.890  -0.5295   8.7268   80.093   25.685   44.310   19.968 35.78340 32.53407 
1 1 1   12    9   58 o   46.649   13.067   2.1869   4.9914  -6.6553   7.1190   10.737   7.0004   33.532   16.041   59.767   20.632 -26.23529 26.13412 
1 1 1   12    9   59 f   54.600   15.167   8.1691   5.6302   5.8090   7.3922   11.429   8.6885   49.267   20.169   59.933   22.656 -10.66524 30.33300 
1 1 1   12    9   60 o   55.329   15.251   9.2625   5.7182   10.338   7.4529   7.7235   8.9157   57.490   21.129   53.169   21.999 4.320332 30.50187 
1 1 1   12    9   61 o   40.976   12.844   1.0978   4.9592   4.0215   7.1071  -1.6766   6.9232   44.939   19.173   37.013   17.095 7.925575 25.68755 
1 1 1   12   10    0 o  290.675   13.515  201.377   25.708  201.377   25.708  201.377   25.708  290.675   19.114  290.675   19.114 -0.000000 0.000000 
1 1 1   12   10    1 o  341.449   15.881  278.094   25.310  262.086   35.800  294.092   35.787  331.419   23.113  351.479   21.786 -20.05948 31.76256 
1 1 1   12   10    2 o  336.628   14.659  269.792   23.000  292.551   32.549  247.095   32.504  351.071   19.838  322.185   21.587 28.88547 29.31820 
1 1 1   12   10    3 o  544.294   27.600  727.345   69.066  780.013  109.247  692.281   89.139  558.113   41.884  530.475   35.955 27.63837 55.19984 
1 1 1   12   10    4 f  318.224   20.525  237.293   26.710  261.381   53.526  229.306   30.822  326.117   35.120  310.331   21.252 15.78613 41.04922 
1 1 1   12   10    5 o  400.929   19.359  385.042   35.635  402.260   56.376  373.586   45.986  407.271   29.619  394.587   24.937 12.68475 38.71843 
1 1 1   12   10    6 o  178.008   10.381   73.653   8.4811   80.454   13.555   69.279   10.872  184.536   15.717  171.480   13.566 13.05603 20.76232 
1 1 1   12   10    7 o  209.225   17.440  113.518   15.272  128.833   18.774   83.567   26.256  233.219   17.225  185.232   30.329 47.98692 34.87923 
1 1 1   12   10    8 o  260.915   17.414  152.616   20.415  125.399   25.010  206.963   35.342  228.749   23.395  293.082   25.802 -64.33351 34.82895 
1 1 1   12   10    9 o  378.843   31.852  368.415   56.110  329.413   79.340  407.439   79.362  356.813   47.578  400.872   42.361 -44.05939 63.70346 
1 1 1   12   10   10 o  161.947   15.930   62.804   12.046   62.218   17.354   63.349   16.735  161.128   23.045  162.766   22.000 -1.638702 31.85995 
1 1 1   12   10   11 o  409.410   33.257  463.420   56.373  349.362   97.530  520.642   69.081  358.201   58.260  460.619   32.090 -102.4182 66.51334 
1 1 1   12   10   12 o  128.345   14.728   39.445   8.5553   47.980   12.770   32.495   11.524  142.004   19.242  114.685   22.303 27.31905 29.45646 
1 1 1   12   10   13 o  145.754   13.303   50.387   8.4655   50.875   14.933   50.156   10.276  145.823   21.911  145.684   15.093 0.1392517 26.60657 
1 1 1   12   10   14 o  281.332   20.292  192.535   25.153  192.394   30.871  192.813   43.386  283.080   23.334  279.585   33.204 3.494293 40.58310 
1 1 1   12   10   15 o  595.346   33.915  932.528   92.685  751.225  131.031  1114.08  131.122  530.163   52.884  660.529   42.476 -130.3665 67.82986 
1 1 1   12   10   16 o  226.834   14.015  123.104   14.787  109.617   20.924  136.559   20.900  214.124   20.909  239.544   18.668 -25.42015 28.03025 
1 1 1   12   10   17 o  262.454   15.195  165.202   18.613  156.226   26.412  174.057   26.233  255.164   22.149  269.745   20.809 -14.58171 30.39059 
1 1 1   12   10   18 o  110.207   11.260   28.848   5.7876   27.107   8.2563   30.531   8.1153  106.870   16.531  113.545   15.293 -6.675354 22.51968 
1 1 1   12   10   19 o   92.696   14.245   20.250   5.7958   25.697   9.8620   17.376   7.1634  101.648   21.435   83.744   18.768 17.90372 28.48983 
1 1 1   12   10   20 o  248.181   17.104  141.400   19.045  179.172   33.034  122.593   23.310  270.911   26.091  225.451   22.123 45.45918 34.20763 
1 1 1   12   10   21 o  122.496   11.295   35.757   6.4520   38.370   9.1095   33.127   9.1397  127.079   15.338  117.913   16.585 9.165604 22.59065 
1 1 1   12   10   22 o  119.299   12.130   34.989   6.3982   25.687   9.0147   44.431   9.0826  101.756   19.668  136.842   14.202 -35.08691 24.25932 
1 1 1   12   10   23 o  222.438   14.186  119.260   14.747  119.815   20.830  118.702   20.880  222.982   19.989  221.894   20.134 1.087708 28.37140 
1 1 1   12   10   24 o  119.892   11.171   34.248   6.2582   35.242   8.9047   33.278   8.7970  121.631   15.665  118.154   15.931 3.476463 22.34266 
1 1 1   12   10   25 f  234.055   19.551  141.364   19.506  121.086   33.986  151.326   23.820  217.868   33.378  250.243   20.367 -32.37505 39.10141 
1 1 1   12   10   26 o  218.537   18.333  120.578   17.302  110.983   30.173  125.279   21.119  209.414   30.830  227.660   19.849 -18.24559 36.66690 
1 1 1   12   10   27 o  152.477   17.526   58.245   12.143   55.683   17.841   60.456   16.574  147.712   26.833  157.242   22.554 -9.530090 35.05233 
1 1 1   12   10   28 o  199.835   13.671   94.992   12.768   94.992   12.768   0.0000   0.0000  199.835   13.671  ?   ?       ?      ? 
1 1 1   12   10   29 o  232.095   14.550  128.649   15.782  128.649   15.782   0.0000   0.0000  232.095   14.550  ?   ?       ?      ? 
1 1 1   12   10   30 o  126.696   15.894   43.114   8.2659   47.838   10.036   33.150   14.575  141.232   15.205  112.161   27.915 29.07057 31.78779 
1 1 1   12   10   31 o  227.746   20.490  127.464   21.809  127.464   21.809   0.0000   0.0000  227.746   20.490  ?   ?       ?      ? 
1 1 1   12   10   32 o  127.831   12.076   35.886   6.0781   33.054   6.8265   46.722   13.352  117.833   12.396  137.830   20.728 -19.99683 24.15199 
1 1 1   12   10   33 o  152.113   12.095   53.644   7.2748   51.724   8.2552   60.321   15.391  147.549   11.971  156.677   21.019 -9.128479 24.18919 
1 1 1   12   10   34 o   49.456   12.282   5.6590   3.5360   7.6345   3.8873  -3.8144   8.5125   55.434   14.747   43.478   19.646 11.95551 24.56482 
1 1 1   12   10   35 o  163.164   13.189   63.133   9.4167   59.458   11.333   71.329   16.924  156.924   15.453  169.403   21.377 -12.47908 26.37720 
1 1 1   12   10   36 o  127.833   17.462   42.775   10.054   41.620   14.232   43.926   14.204  125.868   25.075  129.798   24.309 -3.930084 34.92331 
1 1 1   12   10   37 o  111.688   15.004   31.419   7.3411   30.963   9.1352   32.251   12.335  112.595   17.360  110.782   24.476 1.813965 30.00796 
1 1 1   12   10   38 o   91.930   19.967   21.618   8.3328   21.618   8.3328   0.0000   0.0000   91.930   19.967  ?   ?       ?      ? 
1 1 1   12   10   39 o  110.565   18.807   32.565   9.6163   36.279   13.870   29.126   13.344  116.948   26.045  104.183   27.137 12.76487 37.61303 
1 1 1   12   10   40 o   46.494   14.226  -0.0872   5.3835  -0.5465   6.5919   0.8328   9.3288   41.741   18.141   51.248   21.919 -9.507713 28.45244 
1 1 1   12   10   41 o  146.359   16.583   57.624   10.068   62.481   12.374   48.114   17.316  159.932   16.556  132.785   28.738 27.14668 33.16547 
1 1 1   12   10   42 o   73.862   15.308   9.8547   5.1349   5.5787   5.8180   24.922   10.921   51.229   18.692   96.495   24.247 -45.26570 30.61543 
1 1 1   12   10   43 o  156.366   10.978   49.196   7.0477   39.479   7.9745   83.861   15.062  128.047   13.326  184.685   17.450 -56.63820 21.95670 
1 1 1   12   10   44 o   74.666   16.241   13.455   5.5113   12.450   6.2797   16.823   11.498   69.463   18.859   79.869   26.447 -10.40636 32.48237 
1 1 1   12   10   45 o  195.553   13.574   90.040   11.849   76.578   14.393  118.355   20.873  175.484   17.549  215.621   20.713 -40.13770 27.14784 
1 1 1   12   10   46 o   61.428   18.672   9.6435   5.8355   9.6435   5.8355   0.0000   0.0000   61.428   18.672  ?   ?       ?      ? 
1 1 1   12   10   47 o   91.637   14.218   20.546   6.0893   20.546   6.0893   0.0000   0.0000   91.637   14.218  ?   ?       ?      ? 
1 1 1   12   10   48 o  110.917   26.250   34.708   13.396   0.0000   0.0000   34.708   13.396  ?   ?   110.917   26.250      ?      ? 
1 1 1   12   10   49 o   55.621   15.932   4.7904   6.5476   1.5839   9.1913   8.0943   9.3297   50.475   21.677   60.766   23.355 -10.29077 31.86433 
1 1 1   12   10   50 o  142.599   15.277   52.531   9.8952   48.786   12.447   58.961   16.311  137.459   19.376  147.739   23.624 -10.28008 30.55337 
1 1 1   12   10   51 o   41.044   13.935 -10.0742   6.7971  -7.1709   12.559 -11.2767   8.0832   48.048   22.472   34.040   16.486 14.00710 27.87033 
1 1 1   12   10   52 o   64.982   16.368   10.086   7.3767  -3.5274   11.980   18.401   9.3621   49.794   22.810   80.171   23.480 -30.37641 32.73583 
1 1 1   12   10   53 o   83.058   15.712   17.956   6.8084   7.7640   8.9039   32.304   10.565   58.335   22.706  107.781   21.724 -49.44602 31.42441 
1 1 1   12   10   54 o   81.980   15.972   19.329   6.6875   11.460   9.0770   28.673   9.8905   64.063   23.352   99.896   21.798 -35.83244 31.94418 
1 1 1   12   10   55 o   49.638   13.121   3.8428   4.9052   11.349   6.6374  -5.1893   7.2811   63.184   20.031   36.093   16.953 27.09143 26.24211 
1 1 1   12   10   56 o   59.695   14.647   7.2403   5.3098   1.2142   6.6443   17.891   8.8332   42.321   18.303   77.068   22.872 -34.74695 29.29385 
1 1 1   12   10   57 o   68.337   15.133   12.210   5.4541   6.5075   6.6938   23.474   9.4077   50.705   19.701   85.968   22.975 -35.26229 30.26546 
1 1 1   12   10   58 o   28.828   9.9313  -9.0851   4.4005  -4.8980   5.4699 -16.7670   7.4090   30.095   14.302   27.560   13.783 2.535109 19.86268 
1 1 1   12   10   59 o   48.580   13.826   5.4415   4.7760   3.1818   6.1850   8.7790   7.5168   42.758   18.049   54.402   20.949 -11.64402 27.65214 
1 1 1   12   10   60 o   51.732   15.427   6.7376   6.3484   8.9278   9.5479   5.0020   8.4994   54.934   22.750   48.530   20.843 6.404720 30.85464 
1 1 1   12   10   61 o   47.584   21.227   4.5594   9.5916   4.5594   9.5916   0.0000   0.0000   47.584   21.227  ?   ?       ?      ? 
1 1 1   12   11    0 o  257.682   12.472  158.451   21.013  158.451   21.013  158.451   21.013  257.682   17.639  257.682   17.639 -0.000000 0.000000 
1 1 1   12   11    1 o  498.860   27.991  624.782   65.259  624.336   92.289  625.229   92.291  498.668   39.600  499.051   39.571 -0.3822327 55.98201 
1 1 1   12   11    2 o  210.824   11.730  105.295   11.304  104.862   17.933  105.581   14.561  210.176   18.257  211.472   14.733 -1.296173 23.46040 
1 1 1   12   11    3 o  177.897   13.787   74.473   10.815   77.795   18.869   72.849   13.198  180.312   22.392  175.482   16.093 4.830505 27.57484 
1 1 1   12   11    4 o  144.121   9.6521   50.916   6.2263   58.566   8.1524   40.208   9.6454  157.850   11.051  130.391   15.828 27.45834 19.30414 
1 1 1   12   11    5 o  306.899   15.591  228.760   21.703  242.030   28.054  208.982   34.250  319.115   18.811  294.682   24.869 24.43280 31.18197 
1 1 1   12   11    6 o  484.932   23.017  575.376   51.185  565.178   66.109  590.640   80.876  481.806   29.359  488.059   35.457 -6.253265 46.03455 
1 1 1   12   11    7 o  337.036   26.225  300.012   37.202  331.567   45.588  237.106   64.367  370.453   26.331  303.620   45.362 66.83359 52.45022 
1 1 1   12   11    8 o  209.798   14.920  101.830   13.940   94.885   17.035  115.908   24.253  199.879   18.236  219.718   23.619 -19.83972 29.83988 
1 1 1   12   11    9 o  270.366   15.803  175.331   19.908  159.937   28.124  190.791   28.185  258.164   23.310  282.568   21.343 -24.40448 31.60523 
1 1 1   12   11   10 o  465.518   31.026  531.575   64.643  640.281  111.940  477.185   79.181  495.307   48.358  435.730   38.883 59.57654 62.05133 
1 1 1   12   11   11 o  441.888   25.177  485.716   51.964  467.181   73.449  504.290   73.527  432.918   36.303  450.857   34.895 -17.93884 50.35402 
1 1 1   12   11   12 o  205.920   12.848  101.366   12.245  117.402   17.327   85.366   17.308  222.563   16.659  189.278   19.566 33.28546 25.69678 
1 1 1   12   11   13 o  182.798   12.207   79.308   10.427   81.081   14.791   77.556   14.703  184.853   17.121  180.744   17.406 4.108444 24.41483 
1 1 1   12   11   14 o  428.567   31.194  474.905   58.475  477.039   71.636  470.642  101.230  437.548   35.032  419.586   51.624 17.96277 62.38760 
1 1 1   12   11   15 o  198.092   12.362   93.380   11.424   87.236   16.176   99.493   16.136  191.468   18.077  204.716   16.866 -13.24747 24.72338 
1 1 1   12   11   16 o  141.732   10.440   47.583   6.9084   46.350   9.9101   48.748   9.6355  139.897   15.157  143.567   14.361 -3.669968 20.88013 
1 1 1   12   11   17 o  166.130   11.161   65.515   8.6239   74.108   12.372   57.393   12.027  176.858   14.968  155.402   16.561 21.45602 22.32245 
1 1 1   12   11   18 o  422.720   24.143  450.965   47.468  403.835   67.138  498.071   67.121  398.866   36.016  446.574   32.160 -47.70874 48.28511 
1 1 1   12   11   19 o  299.252   23.509  235.176   29.975  198.450   51.843  253.619   36.738  275.857   40.213  322.647   24.364 -46.79050 47.01759 
1 1 1   12   11   20 o  274.940   19.342  179.000   23.815  214.194   41.198  161.338   29.185  292.828   30.104  257.051   24.294 35.77695 38.68353 
1 1 1   12   11   21 o  200.720   13.159   96.696   12.344   97.407   17.427   95.980   17.487  201.490   18.506  199.951   18.714 1.539658 26.31866 
1 1 1   12   11   22 o   97.829   11.889   23.180   5.3275   23.784   7.5770   22.589   7.4921   99.855   16.236   95.803   17.373 4.051750 23.77898 
1 1 1   12   11   23 o  121.932   13.287   30.479   6.7990   53.327   13.275   22.355   7.9161  148.882   19.079   94.981   18.499 53.90190 26.57438 
1 1 1   12   11   24 o  322.600   25.527  275.961   35.424  251.644   61.503  288.034   43.334  304.749   43.183  340.450   27.236 -35.70099 51.05436 
1 1 1   12   11   25 o   97.060   17.452   24.473   7.9480   20.519   12.233   27.361   10.456   89.984   26.963  104.135   22.164 -14.15125 34.90374 
1 1 1   12   11   26 o  165.645   14.646   66.843   10.717   67.203   13.208   66.149   18.337  167.370   16.885  163.920   23.936 3.450409 29.29188 
1 1 1   12   11   27 o  100.455   14.541   25.379   6.4342   26.306   8.0258   23.711   10.764  104.711   16.400   96.200   24.017 8.510834 29.08202 
1 1 1   12   11   28 o  184.331   19.290   88.269   15.203  127.086   22.067   53.196   20.975  227.985   20.710  140.676   32.550 87.30856 38.58009 
1 1 1   12   11   29 o  228.901   16.392  121.158   16.843   99.006   20.606  165.747   29.235  200.227   22.021  257.574   24.286 -57.34720 32.78313 
1 1 1   12   11   30 o  246.020   16.869  147.141   16.800  142.853   19.341  160.322   33.906  242.908   17.037  249.132   29.121 -6.223892 33.73870 
1 1 1   12   11   31 o   86.912   14.016   19.267   4.6395   19.673   5.1508   17.520   10.681   90.963   12.116   82.861   25.279 8.101463 28.03252 
1 1 1   12   11   32 o   42.406   13.163  -1.0860   4.9348   1.4634   5.9037  -6.9985   8.9905   43.177   17.886   41.634   19.317 1.543774 26.32597 
1 1 1   12   11   33 o   98.143   13.453   20.836   4.9075   18.814   5.4280   29.887   11.485   88.760   13.085  107.527   23.509 -18.76633 26.90560 
1 1 1   12   11   34 o  278.337   24.922  233.655   24.287  254.961   27.996  168.859   48.823  322.511   18.574  234.163   46.254 88.34822 49.84432 
1 1 1   12   11   35 o   83.072   17.042   17.944   7.1458   22.401   10.104   13.483   10.108   92.426   23.375   73.719   24.805 18.70745 34.08313 
1 1 1   12   11   36 o  126.226   24.528   41.622   13.948   41.622   13.948   0.0000   0.0000  126.226   24.528  ?   ?       ?      ? 
1 1 1   12   11   37 o   39.192   11.868  -4.1872   4.7434   4.3866   5.9903 -18.6008   7.7669   49.129   18.754   29.256   14.548 19.87266 23.73504 
1 1 1   12   11   38 o   70.901   15.815   12.299   5.7148   11.081   7.2155   14.349   9.3609   66.640   20.853   75.163   23.784 -8.523033 31.63061 
1 1 1   12   11   39 o   73.907   16.459   13.266   6.0652   12.021   7.4045   15.806   10.574   69.070   21.041   78.743   25.316 -9.672340 32.91861 
1 1 1   12   11   40 f   79.321   18.680   16.142   8.4382   9.6445   12.837   21.085   11.197   69.753   27.232   88.889   25.577 -19.13628 37.36012 
1 1 1   12   11   41 o   76.223   17.920   14.889   6.2761   14.889   6.2761   0.0000   0.0000   76.223   17.920  ?   ?       ?      ? 
1 1 1   12   11   42 o  140.195   16.130   60.409   7.7444   68.008   8.8205   34.842   16.179  168.802   11.181  111.588   30.260 57.21423 32.25993 
1 1 1   12   11   43 o  152.832   16.618   60.280   10.633   59.373   12.800   62.302   19.102  154.857   17.686  150.807   28.138 4.050507 33.23500 
1 1 1   12   11   44 o  204.656   14.535   97.028   13.230   76.374   15.995  141.759   23.539  173.936   19.677  235.377   21.398 -61.44093 29.06971 
1 1 1   12   11   45 f   62.201   18.261   9.9317   5.6566   9.9317   5.6566   0.0000   0.0000   62.201   18.261  ?   ?       ?      ? 
1 1 1   12   11   46 o   77.861   22.054   16.262   8.3902   16.262   8.3902   0.0000   0.0000   77.861   22.054  ?   ?       ?      ? 
1 1 1   12   11   47 o   69.379   16.941   11.758   6.9437   6.4088   9.5631   17.724   10.099   58.532   23.301   80.227   24.598 -21.69491 33.88242 
1 1 1   12   11   48 o  182.691   12.204   72.407   9.3593   59.285   10.743  113.722   19.063  154.879   14.842  210.504   19.377 -55.62518 24.40842 
1 1 1   12   11   49 o   89.335   20.510   23.697   9.9062   20.143   14.450   26.849   13.607   83.461   29.582   95.210   28.417 -11.74986 41.01990 
1 1 1   12   11   50 o   56.436   17.110   1.9925   8.6652  -9.6922   13.999   9.2509   11.033   49.184   23.227   63.688   25.131 -14.50452 34.22041 
1 1 1   12   11   51 o   50.681   15.283   2.5493   6.3155   1.5178   8.3294   3.9443   9.6863   47.672   20.555   53.690   22.622 -6.018814 30.56575 
1 1 1   12   11   52 o   80.478   17.672   18.228   7.2254   15.072   9.2305   23.221   11.611   72.900   23.675   88.055   26.243 -15.15422 35.34359 
1 1 1   12   11   53 o   50.800   15.318   3.2500   6.3940   3.4230   8.6822   3.0450   9.4516   50.381   21.332   51.218   21.988 -0.8372650 30.63574 
1 1 1   12   11   54 o   66.924   15.422   13.671   5.5985   15.488   6.5513   8.7518   10.780   74.085   18.870   59.764   24.398 14.32113 30.84397 
1 1 1   12   11   55 o   57.005   13.682   8.6211   5.4581   14.430   6.2995  -8.8707   10.931   71.911   18.603   42.100   20.067 29.81079 27.36354 
1 1 1   12   11   56 o   73.358   16.317   15.867   5.7640   14.056   6.7704   20.635   10.988   68.854   19.911   77.861   25.857 -9.007591 32.63479 
1 1 1   12   11   57 o   53.358   13.921   7.8749   5.1551   11.877   6.2624  -0.5365   9.0793   62.913   19.384   43.802   19.986 19.11156 27.84245 
1 1 1   12   11   58 f   54.167   14.954   7.6948   5.5988   3.6044   7.4336   13.057   8.5113   45.548   19.525   62.787   22.654 -17.23969 29.90735 
1 1 1   12   11   59 f   72.668   16.244   17.848   6.1403   16.298   8.1764   19.853   9.2989   69.804   22.243   75.533   23.678 -5.728859 32.48711 
1 1 1   12   11   60 o   37.477   12.318  -2.7472   5.2828  -6.7746   7.3016   1.6770   7.6528   32.870   15.858   42.084   18.854 -9.213795 24.63578 
1 1 1   12   12    0 o  172.047   9.4087   70.698   10.552   70.698   10.552   70.698   10.552  172.047   13.306  172.047   13.306 -0.000000 0.000000 
1 1 1   12   12    1 o   94.467   10.033   22.148   4.1105   24.690   5.2947   18.292   6.5213  102.479   11.055   86.455   16.745 16.02486 20.06510 
1 1 1   12   12    2 o  299.537   23.877  215.618   33.424  215.618   33.424   0.0000   0.0000  299.537   23.877  ?   ?       ?      ? 
1 1 1   12   12    3 o  194.271   12.305   89.532   11.172   88.890   15.850   90.165   15.748  193.560   17.522  194.983   17.282 -1.422379 24.61053 
1 1 1   12   12    4 f  318.580   23.042  261.278   28.697  272.743   33.139  226.907   57.378  337.929   20.983  299.232   41.029 38.69687 46.08361 
1 1 1   12   12    5 o  231.722   13.858  128.111   14.974  118.837   21.232  137.289   21.121  223.191   20.355  240.253   18.811 -17.06212 27.71565 
1 1 1   12   12    6 o  252.373   12.614  146.248   14.630  185.285   23.246  120.645   18.826  279.346   17.806  225.399   17.871 53.94701 25.22741 
1 1 1   12   12    7 o  245.688   14.230  143.981   16.337  140.980   23.052  147.010   23.157  243.074   20.292  248.302   19.955 -5.228195 28.46060 
1 1 1   12   12    8 o  279.314   16.109  187.536   20.958  169.750   29.565  205.503   29.715  265.639   23.814  292.990   21.701 -27.35129 32.21891 
1 1 1   12   12    9 o  241.371   16.221  137.312   15.946  134.634   18.414  145.341   31.885  238.320   16.533  244.421   27.913 -6.100159 32.44151 
1 1 1   12   12   10 o  336.705   19.106  275.530   30.017  258.056   42.422  293.050   42.479  325.595   27.879  347.815   26.133 -22.22037 38.21162 
1 1 1   12   12   11 o  190.353   12.324   86.077   10.963   84.823   15.424   87.357   15.584  188.945   17.467  191.760   17.390 -2.814911 24.64748 
1 1 1   12   12   12 o  134.040   10.510   42.562   6.5393   36.388   9.1187   49.099   9.3828  123.918   15.746  144.161   13.926 -20.24380 21.02067 
1 1 1   12   12   13 o  240.986   14.720  139.424   16.533  150.777   23.353  128.018   23.408  251.097   19.901  230.876   21.694 20.22122 29.43910 
1 1 1   12   12   14 f  273.391   15.352  180.052   19.554  163.790   27.625  196.380   27.681  260.646   22.679  286.137   20.700 -25.49078 30.70501 
1 1 1   12   12   15 o  156.503   10.768   58.107   7.8738   59.769   11.155   56.457   11.116  158.763   15.034  154.242   15.420 4.520813 21.53600 
1 1 1   12   12   16 o  236.521   14.391  134.700   15.852  148.217   22.510  121.401   22.326  248.623   19.373  224.419   21.287 24.20404 28.78251 
1 1 1   12   12   17 o  291.099   16.794  207.040   22.683  235.064   32.134  179.212   32.022  311.605   22.066  270.592   25.322 41.01279 33.58713 
1 1 1   12   12   18 o  341.668   25.521  299.459   38.223  301.561   66.247  298.410   46.797  336.972   42.066  346.363   28.910 -9.391052 51.04248 
1 1 1   12   12   19 o  436.477   26.962  478.376   52.489  556.900   90.977  439.197   64.262  456.822   42.613  416.131   33.043 40.69028 53.92344 
1 1 1   12   12   20 o  380.053   22.317  364.406   39.574  342.182   55.994  386.584   55.937  367.539   32.599  392.568   30.489 -25.02936 44.63453 
1 1 1   12   12   21 o  227.470   21.232  141.135   19.305  104.147   33.511  159.508   23.618  197.679   37.648  257.261   19.644 -59.58186 42.46465 
1 1 1   12   12   22 o  240.705   16.473  133.470   17.711  170.496   31.090  115.679   21.550  263.031   25.291  218.379   21.115 44.65202 32.94686 
1 1 1   12   12   23 f  183.029   19.499   85.259   16.043   71.411   22.980   98.426   22.407  165.881   30.775  200.176   23.952 -34.29539 38.99701 
1 1 1   12   12   24 o   65.288   16.042   6.2129   6.2786   17.765   10.617   0.0002   7.7860   84.007   25.108   46.569   19.974 37.43739 32.08362 
1 1 1   12   12   25 o   61.205   16.156   7.3693   6.0966   6.4585   9.9842   7.9108   7.6984   61.838   24.051   60.572   21.579 1.266663 32.31268 
1 1 1   12   12   26 o   70.779   14.076   10.535   6.9149 -14.9433   11.643   24.419   8.5950   42.795   20.483   98.763   19.313 -55.96811 28.15240 
1 1 1   12   12   27 o  225.260   13.958  123.846   14.693  124.034   20.874  123.661   20.687  225.392   19.816  225.129   19.661 0.2629547 27.91532 
1 1 1   12   12   28 o  101.604   12.218   25.348   5.6803   24.628   8.0729   26.055   7.9941   99.324   18.056  103.883   16.466 -4.558838 24.43671 
1 1 1   12   12   29 o  306.624   18.874  228.438   23.639  217.464   27.244  261.868   47.552  298.118   19.554  315.129   32.288 -17.01028 37.74747 
1 1 1   12   12   30 o  147.845   12.138   51.957   8.3870   51.957   8.3870   0.0000   0.0000  147.845   12.138  ?   ?       ?      ? 
1 1 1   12   12   31 o  190.958   11.022   77.995   8.6719   68.515   9.8912  109.495   18.030  169.645   12.476  212.272   18.174 -42.62720 22.04414 
1 1 1   12   12   32 o  242.147   15.395  135.372   15.441  124.262   17.791  169.300   31.090  226.359   16.817  257.935   25.791 -31.57529 30.78945 
1 1 1   12   12   33 o  237.944   14.242  133.900   13.843  127.456   15.933  153.746   27.962  229.858   14.832  246.029   24.318 -16.17056 28.48450 
1 1 1   12   12   34 o   94.909   13.842   21.664   6.1398   21.664   6.1398   0.0000   0.0000   94.909   13.842  ?   ?       ?      ? 
1 1 1   12   12   35 o   37.505   17.416  -5.7629   7.3298  -5.7629   7.3298   0.0000   0.0000   37.505   17.416  ?   ?       ?      ? 
1 1 1   12   12   36 o  180.016   15.595   78.841   12.585   73.187   15.514   89.721   21.519  172.289   19.268  187.743   24.526 -15.45346 31.18924 
1 1 1   12   12   37 o   54.875   15.159   5.2715   5.4324   6.1892   6.5714   3.2910   9.6543   54.327   19.859   55.423   22.908 -1.095921 30.31783 
1 1 1   12   12   38 o   89.610   14.036   21.213   4.9472   22.129   5.5922   17.918   10.611   96.230   12.434   82.991   25.168 13.23918 28.07214 
1 1 1   12   12   39 o   62.121   15.623   8.9690   5.6971   10.479   7.1440   6.3317   9.4421   64.823   20.806   59.419   23.311 5.404034 31.24556 
1 1 1   12   12   40 o  151.867   11.956   49.046   7.4074   42.091   8.3881   73.681   15.786  132.036   13.593  171.698   19.673 -39.66148 23.91272 
1 1 1   12   12   41 o   46.233   13.304   3.2405   3.8052   4.2277   4.1384  -2.1599   9.6791   44.390   15.821   48.077   21.395 -3.686794 26.60866 
1 1 1   12   12   42 o  105.956   14.580   27.333   6.5647   24.074   7.8815   34.718   11.863   97.229   18.008  114.683   22.935 -17.45409 29.15994 
1 1 1   12   12   43 o  104.944   14.885   26.329   6.3851   23.246   7.4130   35.193   12.568   95.620   17.222  114.268   24.284 -18.64785 29.77051 
1 1 1   12   12   44 o   46.079   17.279   4.2319   5.0321   4.2319   5.0321   0.0000   0.0000   46.079   17.279  ?   ?       ?      ? 
1 1 1   12   12   45 f  107.123   14.237   28.070   7.1276   28.070   7.1276   0.0000   0.0000  107.123   14.237  ?   ?       ?      ? 
1 1 1   12   12   46 o  110.285   12.807   22.828   5.6395   14.068   6.3683   54.662   12.140   73.174   18.586  147.396   17.624 -74.22251 25.61316 
1 1 1   12   12   47 o  110.794   17.378   34.474   8.7097   36.828   11.033   30.582   14.189  119.607   19.737  101.981   28.608 17.62624 34.75630 
1 1 1   12   12   48 o  209.133   19.645  123.325   18.125  122.991   22.466  123.948   30.675  215.183   22.340  203.083   32.320 12.09946 39.28938 
1 1 1   12   12   49 o   75.992   15.578   9.5896   5.3517   4.2453   5.9713   31.405   12.064   47.439   18.559  104.546   25.025 -57.10736 31.15548 
1 1 1   12   12   50 o   87.528   17.603   23.155   7.4824   25.059   9.0727   19.106   13.230   95.313   20.940   79.743   28.301 15.56997 35.20578 
1 1 1   12   12   51 o   71.456   16.614   13.493   5.7830   12.738   6.6195   15.928   11.885   68.375   19.663   74.538   26.785 -6.162865 33.22746 
1 1 1   12   12   52 o   56.163   16.388   5.1833   7.3712   10.464   9.7049  -2.0165   11.332   63.134   23.926   49.192   22.400 13.94208 32.77513 
1 1 1   12   12   53 o   85.650   17.388   24.419   7.8849   30.133   9.9562   14.806   12.914  101.819   21.592   69.481   27.261 32.33768 34.77642 
1 1 1   12   12   54 o   48.556   14.904   1.5673   5.6838  -0.2535   6.7062   6.2113   10.710   40.440   17.911   56.673   23.828 -16.23383 29.80873 
1 1 1   12   12   55 o   62.014   15.559   11.675   5.6461   13.242   6.4943   6.8242   11.426   67.373   19.506   56.654   24.245 10.71916 31.11755 
1 1 1   12   12   56 o   50.848   15.067   4.9933   5.1950   3.8119   5.9044   9.0428   10.931   44.058   18.030   57.638   24.145 -13.58037 30.13368 
1 1 1   12   12   57 o   37.819   12.781  -7.2113   5.8649 -11.0108   7.2473  -0.0007   9.9838   30.297   14.874   45.340   20.790 -15.04315 25.56252 
1 1 1   12   12   58 o   70.946   16.076   13.667   8.4345  -9.3248   12.163   34.965   11.707   41.582   20.159  100.311   25.047 -58.72838 32.15171 
1 1 1   12   12   59 o   45.503   14.831   0.5260   7.3896  -2.9920   10.580   3.8774   10.326   42.557   20.126   48.449   21.788 -5.892540 29.66109 
1 1 1   12   13    0 o  282.760   17.151  193.768   31.511  193.768   31.511  193.768   31.511  282.760   24.256  282.760   24.256 -0.000000 0.000000 
1 1 1   12   13    1 o  168.363   11.338   67.126   8.9190   69.358   12.737   64.979   12.494  171.124   15.926  165.602   16.143 5.521255 22.67656 
1 1 1   12   13    2 o  178.026   13.790   72.307   11.050   64.314   13.607   87.785   18.935  164.521   17.697  191.532   21.153 -27.01093 27.57981 
1 1 1   12   13    3 o  142.172   10.338   48.268   6.7412   59.296   9.5865   37.480   9.4813  158.580   12.935  125.764   16.131 32.81631 20.67689 
1 1 1   12   13    4 o  275.911   14.788  183.792   18.573  174.179   29.370  190.198   23.976  269.050   23.358  282.773   18.142 -13.72375 29.57594 
1 1 1   12   13    5 o  144.823   8.6842   48.743   5.7788   53.007   9.1946   45.960   7.4295  149.902   13.125  139.745   11.376 10.15642 17.36847 
1 1 1   12   13    6 o  148.199   10.470   55.107   6.7828   40.660   10.787   64.556   8.7233  130.774   17.649  165.624   11.270 -34.84975 20.94036 
1 1 1   12   13    7 o  291.852   12.867  202.582   17.368  204.313   26.585  201.294   22.940  292.555   19.444  291.149   16.859 1.405853 25.73488 
1 1 1   12   13    8 o  209.961   10.756  104.421   10.552  101.613   14.920  107.230   14.924  207.099   15.415  212.823   15.005 -5.723694 21.51223 
1 1 1   12   13    9 o  128.614   9.0354   38.695   5.3062   37.508   6.7677   40.590   8.5488  126.195   11.475  131.032   13.960 -4.836845 18.07084 
1 1 1   12   13   10 o   99.221   10.629   24.101   4.6786   29.909   6.5727   18.135   6.6614  112.591   12.491   85.851   17.202 26.74004 21.25860 
1 1 1   12   13   11 f  116.671   10.120   32.272   5.4887   28.172   7.6796   36.552   7.8476  109.003   15.075  124.339   13.505 -15.33580 20.23934 
1 1 1   12   13   12 o  242.213   14.609  141.042   16.535  137.861   23.305  144.265   23.463  239.407   20.829  245.018   20.490 -5.610809 29.21815 
1 1 1   12   13   13 o  294.004   16.587  210.934   22.564  177.319   31.814  244.962   32.008  269.424   25.266  318.585   21.498 -49.16116 33.17424 
1 1 1   12   13   14 o  193.824   12.379   89.794   11.212   90.073   15.737   89.507   15.977  194.170   17.342  193.478   17.669 0.6920929 24.75780 
1 1 1   12   13   15 o  222.897   12.994  119.100   13.534  121.592   19.261  116.670   19.022  225.223   18.299  220.570   18.453 4.652771 25.98746 
1 1 1   12   13   16 o  157.620   13.512   58.374   9.6323   54.678   12.024   64.995   16.092  151.266   17.009  163.974   20.999 -12.70828 27.02308 
1 1 1   12   13   17 o  159.235   15.850   61.522   11.787   63.399   17.069   59.811   16.297  161.500   22.614  156.970   22.215 4.529785 31.70070 
1 1 1   12   13   18 o  162.730   15.206   63.024   11.565   0.0000   0.0000   63.024   11.565  ?   ?   162.730   15.206      ?      ? 
1 1 1   12   13   19 o  175.740   16.535   73.804   13.581   0.0000   0.0000   73.804   13.581  ?   ?   175.740   16.535      ?      ? 
1 1 1   12   13   20 o  224.045   19.791  131.585   18.727  107.775   32.613  143.298   22.875  204.686   34.092  243.403   20.109 -38.71675 39.58112 
1 1 1   12   13   21 o  145.274   18.360   54.771   11.845   41.025   17.492   66.415   16.099  125.157   30.242  165.391   20.828 -40.23368 36.71988 
1 1 1   12   13   22 o  111.858   12.915   30.287   6.4167   29.373   8.1496   31.777   10.408  110.846   15.732  112.869   20.486 -2.023277 25.82978 
1 1 1   12   13   23 o  186.731   20.008   90.432   16.391   64.291   23.173  116.609   23.189  155.525   32.908  217.937   22.767 -62.41245 40.01634 
1 1 1   12   13   24 o   68.251   16.682   10.755   6.5668   7.2369   10.300   13.164   8.5242   63.549   24.508   72.954   22.638 -9.404732 33.36356 
1 1 1   12   13   25 o  119.939   11.492   34.681   6.4120   30.727   9.0151   38.729   9.1217  112.823   17.097  127.056   15.362 -14.23281 22.98476 
1 1 1   12   13   26 o  271.450   16.697  183.838   21.174  189.462   29.955  178.223   29.934  275.874   23.233  267.027   23.987 8.846985 33.39383 
1 1 1   12   13   27 o  155.761   11.554   58.552   8.4009   62.468   12.005   54.795   11.760  160.979   15.957  150.544   16.715 10.43456 23.10879 
1 1 1   12   13   28 o  104.383   12.537   27.646   5.7838   20.101   8.4205   34.385   7.9582   88.880   20.663  119.885   14.204 -31.00573 25.07441 
1 1 1   12   13   29 o   72.822   11.651   12.503   3.7345   10.565   4.5942   16.276   6.4116   65.085   15.353   80.559   17.528 -15.47373 23.30100 
1 1 1   12   13   30 o  348.384   27.610  334.180   42.228  325.379   51.692  351.834   73.214  351.558   31.462  345.209   45.380 6.349121 55.21972 
1 1 1   12   13   31 f  135.609   11.809   38.993   6.4623   34.149   7.2910   56.743   13.956  119.464   13.059  151.755   19.678 -32.29083 23.61699 
1 1 1   12   13   32 o  207.213   15.972  102.353   14.826   89.191   18.119  129.020   25.790  189.462   20.463  224.963   24.530 -35.50085 31.94419 
1 1 1   12   13   33 o  147.304   23.578   54.950   16.232   54.950   16.232   0.0000   0.0000  147.304   23.578  ?   ?       ?      ? 
1 1 1   12   13   34 o  181.432   18.588   84.843   15.735   89.764   22.224   79.895   22.283  187.276   25.392  175.589   27.153 11.68697 37.17630 
1 1 1   12   13   35 o  132.161   17.009   45.601   10.007   26.544   13.743   67.109   14.600   99.195   28.271  165.127   18.919 -65.93264 34.01773 
1 1 1   12   13   36 o  260.318   24.569  186.014   29.827  201.377   42.789  171.493   41.600  271.957   33.666  248.680   35.794 23.27705 49.13809 
1 1 1   12   13   37 o   39.422   12.877  -5.9781   5.2747  -8.0992   6.5582  -2.0921   8.8768   32.562   15.527   46.282   20.547 -13.71996 25.75420 
1 1 1   12   13   38 o   79.909   11.468   6.2321   3.7725   1.1185   4.0672   37.728   10.094   36.056   14.883  123.763   17.451 -87.70781 22.93616 
1 1 1   12   13   39 o   45.979   13.969   0.3325   5.4369   3.1180   6.6766  -5.1505   9.3673   47.952   19.338   44.005   20.163 3.946579 27.93726 
1 1 1   12   13   40 o   62.249   14.312   8.5085   4.0742   7.6776   4.5665   11.751   9.0208   55.500   16.439   68.998   23.432 -13.49723 28.62324 
1 1 1   12   13   41 o  102.806   29.764   29.949   15.121   29.949   15.121   0.0000   0.0000  102.806   29.764  ?   ?       ?      ? 
1 1 1   12   13   42 o   48.396   14.110   2.8892   4.1518   2.7441   4.5719   3.5716   9.9151   41.342   16.220   55.449   23.092 -14.10682 28.21916 
1 1 1   12   13   43 o   28.784   13.294  -3.0561   4.1863  -3.0561   4.1863   0.0000   0.0000   28.784   13.294  ?   ?       ?      ? 
1 1 1   12   13   44 o   95.007   20.976   23.968   9.0648   23.968   9.0648   0.0000   0.0000   95.007   20.976  ?   ?       ?      ? 
1 1 1   12   13   45 o   47.816   13.814   3.6485   4.1659   4.5576   4.5610  -0.9270   10.232   45.753   16.572   49.879   22.106 -4.126541 27.62824 
1 1 1   12   13   46 o   79.267   15.331   16.501   5.1665   16.260   5.8346   17.375   11.119   79.485   16.255   79.049   25.999 0.4365845 30.66217 
1 1 1   12   13   47 o  162.134   16.314   68.286   11.678   63.990   14.210   77.219   20.494  157.629   19.290  166.638   26.315 -9.009201 32.62783 
1 1 1   12   13   48 o  102.348   16.697   27.582   7.1861   24.895   8.4303   34.723   13.743   96.473   19.371  108.223   27.203 -11.74982 33.39497 
1 1 1   12   13   49 o   61.672   15.637   8.8402   5.2305   7.2211   6.1284   13.184   10.037   54.162   19.258   69.182   24.641 -15.02077 31.27341 
1 1 1   12   13   50 o   64.911   18.738   11.342   6.0010   11.342   6.0010   0.0000   0.0000   64.911   18.738  ?   ?       ?      ? 
1 1 1   12   13   51 o   97.449   16.121   30.927   6.8594   34.801   7.8639   18.600   14.027  117.472   14.324   77.425   28.886 40.04707 32.24195 
1 1 1   12   13   52 o   61.054   16.464   9.6013   7.1752   15.429   9.1923   0.5141   11.479   71.248   23.650   50.860   22.913 20.38781 32.92857 
1 1 1   12   13   53 o   46.763   14.622  -1.2482   6.8225   5.7903   8.8915 -11.3251   10.639   53.741   22.074   39.785   19.180 13.95589 29.24306 
1 1 1   12   13   54 f   71.673   18.163   16.851   7.7960   18.469   10.225   14.604   12.049   75.478   24.937   67.868   26.414 7.609619 36.32600 
1 1 1   12   13   55 o   68.582   15.541   15.443   5.5898   16.641   6.4073   11.626   11.436   75.699   18.311   61.465   25.116 14.23451 31.08201 
1 1 1   12   13   56 o   44.860   13.733   3.2232   4.9699   4.5035   5.6625  -1.0709   10.371   44.662   17.880   45.058   20.850 -0.3960686 27.46630 
1 1 1   12   13   57 o   43.063   13.277   2.3986   5.0157   4.9124   5.7197  -5.9685   10.435   45.300   18.025   40.826   19.500 4.473915 26.55441 
1 1 1   12   13   58 o   50.141   15.072   6.0909   5.7406   5.6825   6.7604   7.1466   10.869   47.462   19.343   52.821   23.119 -5.359901 30.14327 
1 1 1   12   13   59 o   47.889   19.326   6.5064   6.6734   6.5064   6.6734   0.0000   0.0000   47.889   19.326  ?   ?       ?      ? 
1 1 1   12   14    1 o  179.292   16.372   76.383   13.719   0.0000   0.0000   76.383   13.719  ?   ?   179.292   16.372      ?      ? 
1 1 1   12   14    2 o  216.176   15.694  113.779   13.641  110.156   27.155  115.001   15.775  212.141   27.390  220.212   15.328 -8.070480 31.38701 
1 1 1   12   14    3 o  164.349   10.189   64.846   7.6097   59.780   11.998   68.255   9.8426  158.623   16.185  170.076   12.383 -11.45345 20.37841 
1 1 1   12   14    4 o  200.844   9.9903   95.632   9.3540   88.003   13.234  103.248   13.223  192.722   14.693  208.965   13.540 -16.24361 19.98052 
1 1 1   12   14    5 o  143.130   8.4490   48.375   5.6437   45.631   8.0057   51.086   7.9574  139.048   12.319  147.212   11.566 -8.163971 16.89792 
1 1 1   12   14    6 o  304.122   14.352  223.897   20.128  183.200   28.473  264.548   28.457  275.502   22.114  332.741   18.299 -57.23895 28.70342 
1 1 1   12   14    7 o  453.461   19.894  503.698   41.818  530.844   63.921  483.386   55.292  462.864   29.549  444.059   26.643 18.80484 39.78702 
1 1 1   12   14    8 o  186.620   8.8924   83.136   7.6121   77.442   11.721   87.289   10.011  180.812   13.871  192.428   11.131 -11.61586 17.78477 
1 1 1   12   14    9 o  252.101   13.126  155.331   14.363  143.530   24.976  161.163   17.557  243.564   21.941  260.637   14.414 -17.07266 26.25195 
1 1 1   12   14   10 o  362.122   18.904  324.462   31.215  315.233   49.379  330.605   40.286  355.635   29.709  368.608   23.385 -12.97354 37.80890 
1 1 1   12   14   11 o  252.092   19.398  161.096   21.146  169.066   25.921  145.241   36.559  264.532   20.967  239.652   32.642 24.88000 38.79547 
1 1 1   12   14   12 o   99.470   10.655   23.904   4.8037   20.477   6.7409   27.440   6.8473   91.352   16.391  107.588   13.618 -16.23589 21.31015 
1 1 1   12   14   13 o  175.171   11.785   73.416   9.6063   65.393   13.535   81.560   13.636  165.311   17.519  185.030   15.769 -19.71910 23.57084 
1 1 1   12   14   14 o  248.159   14.358  149.086   16.534  128.598   23.281  169.937   23.486  230.372   21.624  265.946   18.896 -35.57420 28.71672 
1 1 1   12   14   15 o  226.218   16.008  122.312   16.043  131.536   27.855  117.734   19.625  231.155   25.785  221.281   18.977 9.873978 32.01526 
1 1 1   12   14   16 o  235.765   18.860  135.227   19.647  144.870   34.218  130.484   23.996  239.898   30.520  231.633   22.167 8.265259 37.72077 
1 1 1   12   14   17 o  298.039   26.211  219.860   36.509   0.0000   0.0000  219.860   36.509  ?   ?   298.039   26.211      ?      ? 
1 1 1   12   14   18 o  123.267   20.059   36.779   11.556   0.0000   0.0000   36.779   11.556  ?   ?   123.267   20.059      ?      ? 
1 1 1   12   14   19 o  275.441   23.634  195.646   30.284  217.050   43.085  174.746   42.576  291.707   31.604  259.176   35.150 32.53107 47.26863 
1 1 1   12   14   20 o  223.789   17.821  127.185   17.326  133.742   21.340  114.503   29.680  235.055   19.426  212.522   29.883 22.53371 35.64208 
1 1 1   12   14   21 o   82.951   15.036   15.373   5.8028   26.063   9.9922   9.9331   7.1279  101.483   21.724   64.418   20.793 37.06480 30.07136 
1 1 1   12   14   22 o   77.456   15.021   15.141   5.1028   14.004   10.412   15.500   5.8539   75.969   25.168   78.942   16.403 -2.972885 30.04134 
1 1 1   12   14   23 f  291.088   16.732  211.713   22.537  244.417   31.916  179.188   31.829  315.037   21.677  267.139   25.494 47.89807 33.46413 
1 1 1   12   14   24 o   62.163   12.742   9.3531   3.9044   11.606   6.0023   7.7004   5.1407   67.936   18.435   56.390   17.594 11.54557 25.48302 
1 1 1   12   14   25 o   71.321   13.378   12.764   4.6258   9.2936   6.4603   16.416   6.6267   61.917   19.776   80.725   18.021 -18.80800 26.75524 
1 1 1   12   14   26 o  191.839   13.346   90.040   11.881  101.160   16.727   78.715   16.880  204.393   17.511  179.285   20.146 25.10796 26.69250 
1 1 1   12   14   27 o  106.230   12.580   27.962   5.9735   35.523   8.5917   20.888   8.3108  121.677   15.109   90.783   20.117 30.89459 25.15902 
1 1 1   12   14   28 o   84.006   13.440   17.942   5.1551   16.352   7.4729   19.386   7.1206   80.142   20.012   87.869   17.946 -7.726242 26.88053 
1 1 1   12   14   29 o  172.200   13.246   71.274   9.1772   69.961   10.548   75.363   18.615  170.994   13.199  173.406   22.970 -2.411774 26.49260 
1 1 1   12   14   30 o  191.682   15.312   86.043   13.152   72.509   16.050  113.702   22.944  171.085   20.073  212.279   23.127 -41.19299 30.62362 
1 1 1   12   14   31 o  104.447   15.030   27.257   6.8407   25.198   8.4821   31.088   11.570   99.755   18.886  109.140   23.387 -9.384781 30.05995 
1 1 1   12   14   32 o  109.365   16.280   33.316   7.6680   38.050   9.3137   23.356   13.509  125.279   15.908   93.452   28.411 31.82693 32.56094 
1 1 1   12   14   33 o  204.628   20.140  109.592   19.256  106.493   27.010  112.796   27.459  201.537   28.676  207.720   28.286 -6.183777 40.27930 
1 1 1   12   14   34 o  145.707   16.415   51.587   11.178   51.587   11.178   0.0000   0.0000  145.707   16.415  ?   ?       ?      ? 
1 1 1   12   14   35 o  115.216   12.338   27.826   5.5891   24.457   6.2355   41.591   12.605  101.035   13.206  129.397   20.844 -28.36144 24.67518 
1 1 1   12   14   36 o   82.740   13.400   20.761   6.4536   32.377   7.7518  -5.4744   11.650  115.815   14.322   49.665   22.653 66.14978 26.80062 
1 1 1   12   14   37 o   82.060   16.447   18.426   6.5046   20.412   7.8462   14.062   11.631   88.950   19.419   75.170   26.551 13.78088 32.89495 
1 1 1   12   14   38 o  120.024   11.525   28.022   5.5762   21.992   6.2463   51.687   12.374   95.420   14.007  144.629   18.307 -49.20919 23.05074 
1 1 1   12   14   39 o   51.821   12.893   6.4541   3.9475   8.7717   4.2743  -6.9871   10.294   58.951   15.360   44.691   20.712 14.26056 25.78599 
1 1 1   12   14   40 o   46.537   15.049  -4.9451   7.3246 -10.0595   11.833  -1.7686   9.3258   45.760   21.532   47.314   21.030 -1.553661 30.09831 
1 1 1   12   14   41 o  122.597   30.318   43.312   17.274   43.312   17.274   0.0000   0.0000  122.597   30.318  ?   ?       ?      ? 
1 1 1   12   14   42 o   33.231   14.005   0.5306   3.7145   0.5306   3.7145   0.0000   0.0000   33.231   14.005  ?   ?       ?      ? 
1 1 1   12   14   43 o   83.800   21.980   18.923   8.7152   18.923   8.7152   0.0000   0.0000   83.800   21.980  ?   ?       ?      ? 
1 1 1   12   14   44 o  124.947   12.050   34.708   6.0183   30.997   6.7821   48.457   13.054  112.857   12.859  137.038   20.382 -24.18166 24.09910 
1 1 1   12   14   45 f   56.227   12.954   8.4961   4.4988   12.153   4.9998  -7.0546   10.311   68.621   15.901   43.832   20.454 24.78933 25.90776 
1 1 1   12   14   46 f   62.908   15.621   7.5930   4.4284   6.0976   4.8189   15.714   11.230   50.257   17.126   75.559   26.129 -25.30271 31.24152 
1 1 1   12   14   47 o   51.537   14.263   2.4460   4.3180  -0.0965   4.8558   12.054   9.4394   35.830   15.571   67.244   23.901 -31.41354 28.52622 
1 1 1   12   14   48 o   41.998   12.520   1.1513   4.4397   4.9038   4.8630 -17.6279   10.879   46.655   17.079   37.342   18.310 9.313469 25.03916 
1 1 1   12   14   49 o   72.858   17.657   12.573   8.9191  -4.9392   13.347   26.703   11.989   51.146   23.662   94.570   26.216 -43.42394 35.31487 
1 1 1   12   14   50 o   41.700   12.946   0.6305   4.5347   2.1529   5.2265  -4.0052   9.1200   40.834   16.865   42.566   19.646 -1.732372 25.89165 
1 1 1   12   14   51 f   44.975   13.656   2.6783   4.5595   3.9320   5.0340  -3.0470   10.758   43.746   17.060   46.204   21.329 -2.457268 27.31247 
1 1 1   12   14   52 o   55.841   16.151   6.6006   6.7987   9.0799   8.6395   2.5679   11.018   59.050   22.527   52.631   23.150 6.418411 32.30149 
1 1 1   12   14   53 o   64.773   18.050   11.757   8.5208   4.1471   12.328   18.718   11.790   54.910   24.304   74.636   26.693 -19.72570 36.09966 
1 1 1   12   14   54 o   65.696   15.734   13.546   5.4294   13.812   6.1870   12.655   11.323   68.454   18.775   62.937   25.253 5.516712 31.46785 
1 1 1   12   14   55 o   33.935   11.459  -3.7400   4.3172  -1.9209   4.7833 -11.7325   10.026   31.309   14.369   36.561   17.853 -5.252151 22.91710 
1 1 1   12   14   56 o  108.564   16.194   34.626   7.1613   30.069   8.2890   48.039   14.221  101.479   18.144  115.651   26.830 -14.17207 32.38869 
1 1 1   12   14   57 o   75.872   16.576   20.912   6.4863   21.841   7.6788   18.598   12.119   83.640   19.928   68.105   26.495 15.53484 33.15285 
1 1 1   12   14   58 o   55.761   20.116   10.294   6.7104   10.294   6.7104   0.0000   0.0000   55.761   20.116  ?   ?       ?      ? 
1 1 1   12   15    0 o  205.885   20.213  107.401   25.990  107.401   25.990  107.401   25.990  205.885   28.585  205.885   28.585 -0.000000 0.000000 
1 1 1   12   15    1 o   86.857   14.567   18.929   5.8766   14.930   8.2682   23.011   8.3540   77.431   21.880   96.284   19.238 -18.85279 29.13488 
1 1 1   12   15    2 o  158.124   12.729   57.080   8.9351   51.521   10.831   68.925   15.810  147.088   15.756  169.161   19.998 -22.07301 25.45885 
1 1 1   12   15    3 o   66.894   11.437   11.042   3.5446   9.6309   4.9047   12.585   5.1283   62.435   16.544   71.352   15.796 -8.917599 22.87387 
1 1 1   12   15    4 o  224.624   13.704  121.344   14.384  118.382   20.290  124.336   20.394  221.805   19.574  227.444   19.186 -5.638474 27.40847 
1 1 1   12   15    5 o  180.066   10.199   74.195   8.4202   59.229   10.829   97.074   13.390  157.887   14.676  202.244   14.167 -44.35709 20.39817 
1 1 1   12   15    6 o  351.860   16.551  301.746   27.209  293.704   38.491  309.779   38.468  346.968   23.737  356.752   23.072 -9.784149 33.10243 
1 1 1   12   15    7 o  154.380   8.7675   56.617   6.2891   50.083   8.9464   63.001   8.8427  145.417   13.164  163.342   11.584 -17.92500 17.53493 
1 1 1   12   15    8 o  313.118   14.663  237.135   21.404  256.316   30.317  218.072   30.223  326.169   19.888  300.068   21.552 26.10193 29.32597 
1 1 1   12   15    9 o  138.420   10.170   46.666   6.2892   41.103   10.179   50.101   7.9985  131.206   16.600  145.634   11.752 -14.42714 20.33905 
1 1 1   12   15   10 o  137.746   10.472   45.316   6.6703   53.365   9.5135   37.533   9.3550  150.023   13.569  125.469   15.954 24.55466 20.94358 
1 1 1   12   15   11 o   80.402   12.231   12.966   4.4593   26.455   8.1600   7.2218   5.3247  105.233   16.592   55.571   17.976 49.66237 24.46239 
1 1 1   12   15   12 o  127.763   12.497   37.037   7.1664   46.850   12.418   32.137   8.7751  139.509   19.046  116.017   16.184 23.49152 24.99366 
1 1 1   12   15   13 o  275.271   24.081  194.654   30.969  200.296   43.846  189.037   43.749  279.617   33.552  270.926   34.552 8.691437 48.16208 
1 1 1   12   15   14 o  138.410   15.121   49.025   8.5975   42.551   15.279   52.024   10.400  129.077   26.223  147.742   15.062 -18.66534 30.24128 
1 1 1   12   15   15 o  278.652   24.378  200.897   31.729  209.175   45.068  192.762   44.676  284.823   33.857  272.480   35.083 12.34326 48.75599 
1 1 1   12   15   16 o  273.868   34.168  194.168   43.733   0.0000   0.0000  194.168   43.733  ?   ?   273.868   34.168      ?      ? 
1 1 1   12   15   17 o  142.752   16.931   52.133   10.690   37.299   15.265   66.411   14.976  119.851   27.793  165.652   19.345 -45.80126 33.86250 
1 1 1   12   15   18 o  195.047   17.854   94.399   16.230  104.222   23.401   85.296   22.528  205.193   24.403  184.900   26.070 20.29291 35.70868 
1 1 1   12   15   19 o  132.547   16.346   44.156   9.8006   42.325   14.702   45.620   13.148  128.395   25.401  136.699   20.581 -8.304321 32.69181 
1 1 1   12   15   20 o  137.993   14.204   49.438   8.2809   55.600   10.467   39.127   13.540  152.420   14.694  123.566   24.312 28.85427 28.40712 
1 1 1   12   15   21 o  161.965   11.243   63.196   8.4996   59.847   12.057   66.504   11.983  157.553   16.375  166.377   15.411 -8.824081 22.48682 
1 1 1   12   15   22 o  126.893   11.094   38.846   6.5295   44.877   9.3457   33.095   9.1264  136.782   14.620  117.004   16.690 19.77747 22.18769 
1 1 1   12   15   23 o  183.900   15.630   86.395   12.494   92.234   15.475   75.463   21.175  195.254   16.959  172.546   26.259 22.70844 31.25913 
1 1 1   12   15   24 o  260.291   15.186  167.149   18.403  183.899   26.105  150.602   25.947  273.935   20.391  246.648   22.510 27.28706 30.37239 
1 1 1   12   15   25 o  149.048   14.303   52.884   9.3643   50.055   11.321   59.013   16.664  143.973   16.825  154.122   23.135 -10.14980 28.60587 
1 1 1   12   15   26 o  121.064   12.359   35.549   6.8742   35.436   8.9431   35.713   10.747  121.245   15.783  120.882   19.022 0.3628006 24.71731 
1 1 1   12   15   27 o   79.550   9.9642   15.725   3.5202   16.901   4.5873   14.041   5.4902   84.261   11.649   74.839   16.169 9.421021 19.92845 
1 1 1   12   15   28 o   73.328   15.607   12.021   5.5480   8.5796   6.6865   19.627   9.9400   60.075   20.175   86.580   23.819 -26.50484 31.21469 
1 1 1   12   15   29 o   85.731   15.880   17.736   6.0818   15.028   7.3067   23.842   10.973   76.473   20.159   94.988   24.543 -18.51473 31.76053 
1 1 1   12   15   30 o  125.435   11.478   38.319   6.7063   35.717   9.6298   40.769   9.3448  121.052   17.022  129.817   15.403 -8.764320 22.95607 
1 1 1   12   15   31 o  122.267   15.950   41.572   7.1111   44.220   8.0464   32.125   15.197  135.959   12.663  108.574   29.279 27.38541 31.90000 
1 1 1   12   15   32 f   76.462   24.136   14.912   9.6446   0.0000   0.0000   14.912   9.6446  ?   ?    76.462   24.136      ?      ? 
1 1 1   12   15   33 o  146.512   12.934   50.761   8.3453   58.190   14.857   47.336   10.087  153.090   20.766  139.934   15.424 13.15567 25.86706 
1 1 1   12   15   34 o  238.214   14.067  131.588   13.749  122.406   15.790  160.366   27.954  225.051   15.013  251.378   23.794 -26.32683 28.13460 
1 1 1   12   15   35 o   87.996   14.460   22.779   6.6260   32.893   8.2736   4.6922   11.064  116.275   15.225   59.718   24.588 56.55690 28.91999 
1 1 1   12   15   36 o  116.179   15.325   35.071   7.7446   36.133   9.6684   33.170   12.937  121.267   17.060  111.092   25.462 10.17410 30.64921 
1 1 1   12   15   37 o   97.049   20.399   24.321   8.9582   24.321   8.9582   0.0000   0.0000   97.049   20.399  ?   ?       ?      ? 
1 1 1   12   15   38 o  180.346   13.694   78.101   10.857   71.984   13.082   91.634   19.459  171.202   16.351  189.490   21.973 -18.28804 27.38898 
1 1 1   12   15   39 o   76.757   16.722   15.056   5.8289   15.056   5.8289   0.0000   0.0000   76.757   16.722  ?   ?       ?      ? 
1 1 1   12   15   40 o   88.038   17.650   19.902   7.0093   19.902   7.0093   0.0000   0.0000   88.038   17.650  ?   ?       ?      ? 
1 1 1   12   15   41 o  207.314   13.900  104.832   13.467  104.832   13.467   0.0000   0.0000  207.314   13.900  ?   ?       ?      ? 
1 1 1   12   15   42 o   61.447   16.836   9.7378   4.9779   9.7378   4.9779   0.0000   0.0000   61.447   16.836  ?   ?       ?      ? 
1 1 1   12   15   43 o   37.460   12.368  -2.7020   3.4990  -2.9000   3.7547  -1.3951   9.6466   26.999   12.512   47.921   21.339 -20.92158 24.73668 
1 1 1   12   15   44 o   66.358   14.655   7.3144   4.1703   4.5138   4.5703   21.245   10.193   45.540   16.574   87.175   24.175 -41.63495 29.31083 
1 1 1   12   15   45 o   64.953   15.652   8.5007   4.5131   6.8931   4.9337   16.742   11.171   52.603   17.320   77.303   26.076 -24.69995 31.30340 
1 1 1   12   15   46 o   58.652   15.200   4.5413   4.4265   1.9505   4.8509   17.434   10.821   39.729   16.310   77.574   25.655 -37.84584 30.40079 
1 1 1   12   15   47 o   50.561   14.634   0.3808   4.4246  -2.1742   4.8608   12.729   10.686   32.423   14.728   68.699   25.292 -36.27628 29.26754 
1 1 1   12   15   48 o   50.206   14.712   3.7321   4.5863   3.4602   5.0586   4.9879   10.871   43.492   17.063   56.919   23.972 -13.42774 29.42467 
1 1 1   12   15   49 o   60.182   15.248   8.7587   4.5393   8.2767   4.9978   11.030   10.848   55.759   17.340   64.605   25.086 -8.846111 30.49527 
1 1 1   12   15   50 o   52.506   14.579   5.8365   4.6752   4.9009   5.4022   8.6282   9.3313   46.621   17.807   58.391   23.089 -11.76961 29.15774 
1 1 1   12   15   51 o   40.459   13.103  -0.9296   4.3614  -0.6927   4.7979  -2.0570   10.466   34.078   15.119   46.840   21.406 -12.76272 26.20694 
1 1 1   12   15   52 o   75.920   18.486   16.112   8.9646   34.308   13.890   3.1205   11.736   98.906   28.495   52.934   23.557 45.97208 36.97149 
1 1 1   12   15   53 o   51.202   16.358   1.7498   8.1319   7.8146   13.045  -2.1050   10.400   57.622   25.271   44.782   20.777 12.83924 32.71559 
1 1 1   12   15   54 o   70.787   14.039   7.8551   4.8941   0.8574   5.4968   34.618   10.750   37.605   16.450  103.969   22.755 -66.36407 28.07874 
1 1 1   12   15   55 o   54.879   15.568   8.1071   6.5172   13.844   8.9457   1.6180   9.5139   63.777   23.192   45.982   20.774 17.79530 31.13546 
1 1 1   12   15   56 o   32.101   10.965  -5.7499   4.1822  -6.6495   4.8837  -3.2755   8.0992   26.077   12.672   38.125   17.899 -12.04753 21.93086 
1 1 1   12   15   57 o   72.122   20.265   17.289   7.1133   17.289   7.1133   0.0000   0.0000   72.122   20.265  ?   ?       ?      ? 
1 1 1   12   16    0 o  356.536   20.750  313.092   48.134  313.092   48.134  313.092   48.134  356.536   29.344  356.536   29.344 -0.000000 0.000000 
1 1 1   12   16    1 o  242.276   21.298  147.396   24.061  136.479   33.960  158.401   34.096  232.631   31.236  251.922   28.960 -19.29034 42.59504 
1 1 1   12   16    2 o  122.541   13.066   36.866   6.8028   37.491   8.3247   35.610   11.803  125.641   14.177  119.441   21.953 6.199791 26.13266 
1 1 1   12   16    3 o  152.339   12.978   53.972   8.7541   50.508   10.639   61.233   15.403  145.569   15.639  159.108   20.715 -13.53871 25.95517 
1 1 1   12   16    4 o  229.550   21.419  136.962   21.026   87.307   29.517  188.114   29.959  181.401   36.087  277.699   23.084 -96.29781 42.83833 
1 1 1   12   16    5 o   87.138   13.637   19.375   5.8932   30.792   8.2019   7.1899   8.4733  113.669   15.439   60.607   22.482 53.06158 27.27317 
1 1 1   12   16    6 o  139.530   12.929   47.576   7.7691   44.600   13.753   48.971   9.4153  135.483   21.720  143.577   14.032 -8.094406 25.85839 
1 1 1   12   16    7 o  263.721   17.874  168.433   19.105  177.498   38.266  165.424   22.050  264.982   30.900  262.459   17.976 2.522614 35.74859 
1 1 1   12   16    8 o  137.046   9.0107   44.950   5.5911   42.631   8.9761   46.420   7.1469  133.873   14.347  140.219   10.906 -6.345886 18.02142 
1 1 1   12   16    9 o  170.413   13.123   68.626   8.9941   72.534   18.307   67.383   10.326  172.290   22.737  168.536   13.110 3.753937 26.24543 
1 1 1   12   16   10 o  288.049   24.812  204.622   33.402   0.0000   0.0000  204.622   33.402  ?   ?   288.049   24.812      ?      ? 
1 1 1   12   16   11 o  162.398   13.661   62.873   9.6991   66.186   17.209   61.330   11.742  164.579   22.373  160.217   15.681 4.361374 27.32166 
1 1 1   12   16   12 o  406.589   30.674  441.424   55.306  496.286   95.925  414.106   67.689  416.098   49.328  397.080   36.475 19.01788 61.34900 
1 1 1   12   16   13 o  185.076   12.951   82.795   11.173   77.721   16.000   87.623   15.610  179.279   19.096  190.872   17.499 -11.59381 25.90132 
1 1 1   12   16   14 o  149.804   10.145   53.087   7.0452   63.447   10.430   44.393   9.5543  163.280   13.668  136.328   14.996 26.95201 20.29031 
1 1 1   12   16   15 o   67.817   12.773   11.716   3.8581   10.007   7.4505   12.342   4.5098   64.875   21.280   70.759   14.132 -5.883598 25.54499 
1 1 1   12   16   16 o  147.075   12.157   51.354   8.3559   0.0000   0.0000   51.354   8.3559  ?   ?   147.075   12.157      ?      ? 
1 1 1   12   16   17 o  144.794   10.395   50.211   7.0250   53.514   9.9895   46.980   9.8810  149.602   14.288  139.986   15.103 9.616608 20.79069 
1 1 1   12   16   18 o  190.561   11.820   87.677   10.523   90.507   14.948   84.896   14.818  193.682   16.514  187.438   16.915 6.244095 23.63947 
1 1 1   12   16   19 o  263.961   17.570  160.379   20.721  123.321   25.267  236.492   36.211  221.706   24.385  306.217   25.303 -84.51009 35.14078 
1 1 1   12   16   20 o  230.544   19.145  138.945   18.985  146.159   23.248  124.504   32.892  243.912   20.394  217.176   32.407 26.73586 38.29032 
1 1 1   12   16   21 o  193.174   26.447   94.412   23.876   94.412   23.876   0.0000   0.0000  193.174   26.447  ?   ?       ?      ? 
1 1 1   12   16   22 o  185.022   15.470   82.323   12.671   77.952   15.445   91.324   22.162  179.117   18.450  190.928   24.837 -11.81104 30.94014 
1 1 1   12   16   23 o  101.863   10.517   24.577   4.9656   29.442   7.4737   20.733   6.6442  110.849   14.426   92.877   15.307 17.97169 21.03398 
1 1 1   12   16   24 o   86.958   11.643   18.205   4.5994   23.361   7.0332   14.352   6.0795   98.487   15.280   75.429   17.572 23.05772 23.28685 
1 1 1   12   16   25 o   83.400   17.067   17.521   7.1208   12.927   9.5199   23.358   10.729   72.406   24.069   94.395   24.205 -21.98988 34.13467 
1 1 1   12   16   26 o   94.023   12.526   20.458   4.4350   24.925   9.8834   19.332   4.9626   98.027   22.101   90.019   11.796 8.008392 25.05219 
1 1 1   12   16   27 o  137.209   9.9926   45.280   6.2009   45.519   10.129   45.136   7.8420  136.986   15.822  137.431   12.209 -0.4449005 19.98517 
1 1 1   12   16   28 o  217.863   12.343  116.123   12.502  130.488   17.807  102.160   17.556  231.705   16.445  204.021   18.413 27.68376 24.68695 
1 1 1   12   16   29 o  152.311   10.885   57.896   7.3852   63.513   9.4483   49.076   11.840  163.018   12.402  141.603   17.891 21.41484 21.76936 
1 1 1   12   16   30 o  120.871   10.238   35.399   5.5330   35.917   6.9255   34.484   9.2002  122.656   12.081  119.086   16.531 3.569725 20.47504 
1 1 1   12   16   31 o  200.029   17.218  104.075   14.917   93.439   25.568  109.564   18.367  188.773   28.980  211.286   18.601 -22.51234 34.43642 
1 1 1   12   16   32 o   97.794   11.300   24.525   4.8226   30.736   6.5622   17.230   7.1113  113.397   12.382   82.191   18.907 31.20564 22.60065 
1 1 1   12   16   33 o  203.827   13.480   93.256   12.178   72.182   14.673  139.914   21.832  170.821   18.379  236.833   19.725 -66.01144 26.96016 
1 1 1   12   16   34 o   81.396   14.442   13.927   4.3677   12.101   4.7679   23.459   10.891   69.296   15.145   93.495   24.595 -24.19971 28.88422 
1 1 1   12   16   35 o   68.221   15.781   12.042   5.8615   14.487   6.9695   6.1321   10.835   74.935   19.657   61.507   24.694 13.42789 31.56219 
1 1 1   12   16   36 o   82.940   16.738   17.508   6.4890   15.951   7.8891   20.766   11.410   78.128   21.107   87.752   25.983 -9.623505 33.47592 
1 1 1   12   16   37 o  142.081   12.135   46.506   7.4248   41.558   8.7440   59.297   14.057  130.689   14.316  153.473   19.599 -22.78482 24.27054 
1 1 1   12   16   38 o  142.526   12.386   49.544   8.0036   46.517   10.041   54.819   13.254  137.571   15.618  147.480   19.229 -9.909225 24.77254 
1 1 1   12   16   39 o  151.724   13.353   57.972   9.0330   57.836   11.244   58.221   15.168  153.187   15.706  150.262   21.600 2.925232 26.70634 
1 1 1   12   16   40 o   85.974   13.262   17.333   4.7863   14.486   5.6205   24.844   9.1307   75.101   16.467   96.846   20.794 -21.74504 26.52498 
1 1 1   12   16   41 o   62.290   13.471   9.9996   5.1587  -1.5431   8.6804   16.302   6.4144   45.459   20.243   79.122   17.780 -33.66227 26.94254 
1 1 1   12   16   42 o  176.323   10.554   75.589   8.5986   68.821   11.184   85.374   13.447  167.220   14.310  185.426   15.518 -18.20528 21.10881 
1 1 1   12   16   43 o  155.620   12.144   48.837   7.3605   40.332   8.1416   86.887   17.221  128.207   13.588  183.032   20.132 -54.82469 24.28884 
1 1 1   12   16   44 o   40.055   13.006  -2.5177   3.8921  -3.2227   4.2240   1.4470   10.017   28.504   13.231   51.606   22.396 -23.10217 26.01260 
1 1 1   12   16   45 o   47.843   14.348   0.3919   3.9904  -1.0958   4.2969   9.7180   10.758   31.967   14.238   63.719   24.915 -31.75235 28.69649 
1 1 1   12   16   46 o   76.444   14.970   17.618   5.5092   20.063   6.3661   10.324   10.994   87.897   16.090   64.992   25.249 22.90461 29.94032 
1 1 1   12   16   47 o   85.671   16.344   18.593   5.9197   15.937   6.7581   27.349   12.271   76.448   18.999   94.895   26.599 -18.44669 32.68733 
1 1 1   12   16   48 o   56.652   13.068   9.2474   4.5961   12.839   5.1807  -4.0253   9.9597   69.145   16.298   44.158   20.433 24.98703 26.13687 
1 1 1   12   16   49 o   65.027   15.771   10.713   4.8100   9.5791   5.3153   15.840   11.303   58.922   17.800   71.132   26.038 -12.20918 31.54107 
1 1 1   12   16   50 o   38.587   12.670  -1.7281   4.2948  -1.0316   4.7115  -5.1507   10.444   33.216   14.843   43.958   20.537 -10.74172 25.33949 
1 1 1   12   16   51 o   56.368   16.329   7.9708   6.8357   9.0575   8.7349   6.2536   10.980   57.483   22.458   55.254   23.710 2.228901 32.65722 
1 1 1   12   16   52 o   56.603   16.198   7.9361   6.4507   4.7113   8.0532   13.709   10.775   48.826   20.602   64.379   25.001 -15.55314 32.39584 
1 1 1   12   16   53 o   91.123   18.135   31.850   8.7011   37.894   11.035   21.920   14.147  109.294   22.358   72.952   28.558 36.34203 36.26922 
1 1 1   12   16   54 o   55.831   15.026   8.6821   4.9366   7.3354   5.7535   12.440   9.6115   50.765   18.578   60.896   23.622 -10.13065 30.05236 
1 1 1   12   16   55 o   35.281   11.630  -1.9617   4.3587  -0.8507   5.1129  -4.9160   8.3378   33.464   15.164   37.098   17.638 -3.634068 23.26043 
1 1 1   12   16   56 o   71.555   20.437   17.151   7.1740   17.151   7.1740   0.0000   0.0000   71.555   20.437  ?   ?       ?      ? 
1 1 1   12   17    0 o  120.946   17.014   38.690   12.078   38.690   12.078   38.690   12.078  120.946   24.062  120.946   24.062 -0.000000 0.000000 
1 1 1   12   17    1 f  137.758   15.786   47.465   9.7680   56.142   13.741   38.602   13.888  152.415   19.291  123.101   24.993 29.31424 31.57220 
1 1 1   12   17    2 o  155.244   15.735   58.907   11.408   56.302   16.104   61.531   16.164  151.654   22.721  158.835   21.775 -7.180740 31.47044 
1 1 1   12   17    3 o  219.146   19.862  120.426   20.342  119.840   28.688  121.019   28.849  218.616   28.078  219.677   28.100 -1.061234 39.72390 
1 1 1   12   17    4 o   78.201   20.784   15.388   7.7258   15.388   7.7258   0.0000   0.0000   78.201   20.784  ?   ?       ?      ? 
1 1 1   12   17    5 o  110.855   20.545   30.697   10.252   30.697   10.252   0.0000   0.0000  110.855   20.545  ?   ?       ?      ? 
1 1 1   12   17    8 o  127.610   15.152   40.623   8.7477   36.687   12.789   44.083   11.992  120.244   23.600  134.975   19.010 -14.73132 30.30437 
1 1 1   12   17    9 o  128.271   15.697   41.531   9.0518   35.049   13.233   47.230   12.409  116.897   24.981  139.646   19.013 -22.74880 31.39316 
1 1 1   12   17   10 o  378.651   37.798  434.477   66.841  420.931   94.686  447.932   94.369  370.834   54.634  386.468   52.248 -15.63394 75.59595 
1 1 1   12   17   11 o  185.614   17.649   86.017   15.279   81.127   21.792   90.744   21.428  179.968   25.910  191.261   23.972 -11.29369 35.29836 
1 1 1   12   17   12 o  212.045   13.904  109.703   13.761  105.277   19.669  113.945   19.259  207.576   20.275  216.514   19.032 -8.938721 27.80870 
1 1 1   12   17   13 o  156.542   16.162   60.634   11.805   56.092   16.419   65.494   16.985  150.275   23.379  162.808   22.322 -12.53337 32.32430 
1 1 1   12   17   14 o  196.992   17.069   99.222   14.517   90.211   25.190  103.702   17.763  187.453   28.754  206.531   18.403 -19.07741 34.13873 
1 1 1   12   17   15 o  167.964   15.677   69.302   11.578   71.769   20.184   68.092   14.135  168.561   25.622  167.366   18.072 1.195648 31.35397 
1 1 1   12   17   16 o  163.989   10.805   65.168   8.2109   58.170   11.930   71.468   11.318  155.190   16.448  172.788   14.016 -17.59758 21.61027 
1 1 1   12   17   17 f  143.099   10.867   49.253   7.2546   48.690   10.543   49.759   9.9976  142.191   15.866  144.007   14.855 -1.815598 21.73452 
1 1 1   12   17   18 o   98.093   10.160   22.631   4.6172   26.622   7.0938   19.698   6.0817  105.462   14.393   90.724   14.344 14.73851 20.31963 
1 1 1   12   17   19 o   93.899   15.097   20.670   6.1132   17.333   7.3242   28.333   11.099   82.782   19.289  105.015   23.231 -22.23364 30.19493 
1 1 1   12   17   20 o  260.112   13.108  158.909   15.650  202.996   24.986  130.446   20.076  288.765   18.514  231.459   18.559 57.30565 26.21506 
1 1 1   12   17   21 o  177.374   15.141   76.456   10.784   80.793   21.889   75.066   12.392  178.090   26.299  176.657   15.010 1.432297 30.28104 
1 1 1   12   17   22 o  250.492   15.298  156.434   17.845  142.040   25.225  170.857   25.249  238.191   22.660  262.792   20.559 -24.60019 30.59638 
1 1 1   12   17   23 o  206.672   13.437  105.151   12.978  104.909   18.467  105.387   18.241  206.356   19.148  206.988   18.857 -0.6315765 26.87456 
1 1 1   12   17   24 o   69.505   11.536   12.164   3.4364   11.190   6.6002   12.526   4.0250   66.573   19.774   72.438   11.889 -5.864700 23.07279 
1 1 1   12   17   25 o   59.856   13.259   8.3403   4.5225   13.407   6.2363   2.7202   6.5681   72.563   18.372   47.150   19.122 25.41268 26.51722 
1 1 1   12   17   26 o  113.761   11.394   31.336   6.0500   33.597   8.7677   29.280   8.3590  117.717   15.937  109.804   16.289 7.913025 22.78832 
1 1 1   12   17   27 o  245.581   15.525  151.161   17.788  142.062   25.198  160.199   25.115  237.651   22.688  253.511   21.198 -15.86014 31.04971 
1 1 1   12   17   28 o  161.644   12.041   63.647   9.0133   75.214   13.034   53.045   12.478  176.168   15.830  147.120   18.148 29.04857 24.08235 
1 1 1   12   17   29 o  116.361   10.052   33.447   5.2476   36.460   6.7535   28.855   8.3366  123.693   11.683  109.029   16.361 14.66412 20.10366 
1 1 1   12   17   30 o  155.629   9.8906   56.747   7.0994   69.507   11.137   48.014   9.2140  169.971   14.021  141.287   13.954 28.68376 19.78111 
1 1 1   12   17   31 o   88.728   10.372   21.003   3.9010   11.691   5.8000   28.696   5.2715   67.643   18.022  109.814   10.271 -42.17152 20.74381 
1 1 1   12   17   32 f   89.510   15.250   21.822   6.3087   16.544   10.064   25.239   8.0973   79.278   24.597   99.743   18.034 -20.46506 30.50016 
1 1 1   12   17   33 o   90.431   14.703   25.132   7.2060   36.770   8.7410   0.4444   12.731  123.035   15.202   57.827   25.172 65.20739 29.40646 
1 1 1   12   17   34 o   37.942   11.432  -2.0082   3.3184   4.5695   6.4332  -4.3929   3.8735   50.227   19.370   25.657   12.147 24.57017 22.86338 
1 1 1   12   17   35 o   56.619   13.697   8.0299   4.7954  -8.8806   11.626   11.497   5.2640   46.213   21.616   67.025   16.829 -20.81149 27.39482 
1 1 1   12   17   36 o  190.215   21.676  101.887   18.768   94.028   26.686  109.578   26.399  179.931   32.949  200.499   28.173 -20.56773 43.35148 
1 1 1   12   17   37 o   83.213   14.127   17.754   5.3012   16.155   6.7064   20.417   8.6552   78.808   18.522   87.619   21.336 -8.811378 28.25351 
1 1 1   12   17   38 o   97.344   12.571   23.852   5.0778   23.500   6.0321   24.708   9.4068   98.364   13.122   96.324   21.447 2.040070 25.14274 
1 1 1   12   17   39 o  167.451   13.277   69.202   9.3409   66.742   10.973   75.676   17.803  165.000   14.229  169.901   22.421 -4.900436 26.55475 
1 1 1   12   17   40 o  129.825   12.712   42.887   7.6104   40.667   11.521   44.606   10.137  125.904   19.580  133.747   16.217 -7.843018 25.42395 
1 1 1   12   17   41 o  188.488   21.238  105.827   16.199  111.639   19.597   93.289   28.785  207.592   20.200  169.383   37.365 38.20892 42.47553 
1 1 1   12   17   42 o   93.514   16.247   18.694   5.3952   16.074   5.8240   34.545   14.325   78.810   16.348  108.217   28.082 -29.40726 32.49419 
1 1 1   12   17   43 o   71.096   17.244   12.718   6.1219   17.160   12.712   11.377   6.9853   77.168   27.704   65.024   20.542 12.14458 34.48898 
1 1 1   12   17   44 o  245.072   26.070  201.287   26.717  202.103   32.938  199.717   45.680  263.850   26.711  226.293   44.778 37.55716 52.13985 
1 1 1   12   17   45 o  110.548   12.217   31.092   6.1052   25.687   8.0767   38.297   9.3254   98.393   18.236  122.703   16.262 -24.31040 24.43321 
1 1 1   12   17   46 o  142.644   14.699   52.184   9.1152   47.052   10.863   64.397   16.758  134.549   17.275  150.739   23.787 -16.19026 29.39826 
1 1 1   12   17   47 o   55.992   12.963   2.6662   4.2355  -3.1096   4.9180   19.253   8.3341   30.928   14.328   81.057   21.607 -50.12907 25.92577 
1 1 1   12   17   48 o  123.051   12.405   39.409   7.0462   34.119   9.1425   47.148   11.058  113.369   17.256  132.733   17.827 -19.36475 24.81009 
1 1 1   12   17   49 o  112.265   14.702   30.572   6.9653   23.502   8.0950   50.735   13.670   91.340   19.553  133.190   21.961 -41.85070 29.40439 
1 1 1   12   17   50 o   56.294   13.541   9.5838   4.7891   12.783   5.4949  -0.5242   9.7678   67.045   17.389   45.542   20.761 21.50325 27.08165 
1 1 1   12   17   51 o   66.855   16.652   15.194   6.7124   17.607   8.3027   10.640   11.405   74.004   22.223   59.705   24.807 14.29976 33.30479 
1 1 1   12   17   52 o   49.901   15.233   4.8349   6.3359   3.1363   8.1088   7.4975   10.152   45.902   20.033   53.899   22.954 -7.997345 30.46658 
1 1 1   12   17   53 o   61.023   17.878   12.423   8.2845   15.937   12.602   9.7482   10.994   65.073   26.452   56.972   24.058 8.100613 35.75554 
1 1 1   12   17   54 o   41.790   12.686  -3.0881   4.3688  -8.6661   5.1362   11.508   8.3085   25.204   12.403   58.375   22.134 -33.17131 25.37197 
1 1 1   12   17   55 o   45.222   18.543   5.2534   6.2610   5.2534   6.2610   0.0000   0.0000   45.222   18.543  ?   ?       ?      ? 
1 1 1   12   18    0 o  102.532   17.672   29.163   10.376   29.163   10.376   29.163   10.376  102.532   24.992  102.532   24.992 -0.000000 0.000000 
1 1 1   12   18    1 o  282.738   36.222  213.725   47.863   0.0000   0.0000  213.725   47.863  ?   ?   282.738   36.222      ?      ? 
1 1 1   12   18    2 o  229.472   20.946  135.042   22.435  142.226   31.730  127.859   31.725  236.169   28.747  222.775   30.472 13.39368 41.89189 
1 1 1   12   18    3 o   79.633   14.432   16.010   5.4002   17.724   7.8548   14.475   7.4365   83.601   20.306   75.664   20.514 7.936455 28.86441 
1 1 1   12   18    4 o  255.297   20.287  166.066   22.668  167.035   39.419  165.588   27.707  251.935   33.479  258.660   22.920 -6.725159 40.57334 
1 1 1   12   18    5 o  214.210   27.432  116.441   27.463   0.0000   0.0000  116.441   27.463  ?   ?   214.210   27.432      ?      ? 
1 1 1   12   18    6 o  192.832   18.314  101.244   14.193   76.258   24.597  113.716   17.378  168.720   32.371  216.945   17.140 -48.22475 36.62877 
1 1 1   12   18    7 o   80.812   21.141   16.640   8.0762   16.640   8.0762   0.0000   0.0000   80.812   21.141  ?   ?       ?      ? 
1 1 1   12   18    8 o  263.288   24.035  184.636   29.486  199.441   41.738  169.887   41.660  275.263   32.445  251.313   35.470 23.95015 48.07034 
1 1 1   12   18    9 o  236.812   19.304  146.808   19.656  131.201   34.042  154.614   24.075  222.801   32.693  250.823   20.538 -28.02205 38.60896 
1 1 1   12   18   10 o  145.960   15.787   59.667   9.1307   38.121   15.591   70.914   11.265  119.797   28.298  172.123   14.003 -52.32529 31.57316 
1 1 1   12   18   11 o  208.773   17.756  115.595   14.315   98.034   28.721  121.399   16.512  193.040   31.835  224.505   15.738 -31.46446 35.51237 
1 1 1   12   18   12 o   88.534   14.389   18.781   5.9536   0.0000   0.0000   18.781   5.9536  ?   ?    88.534   14.389      ?      ? 
1 1 1   12   18   13 o  183.057   13.674   81.567   10.012   82.144   20.240   81.381   11.521  181.443   23.868  184.671   13.349 -3.227829 27.34761 
1 1 1   12   18   14 o   84.528   12.729   19.080   4.2235   14.696   8.8273   20.381   4.8097   76.329   22.912   92.727   11.099 -16.39758 25.45900 
1 1 1   12   18   15 o  247.786   15.584  137.870   16.114  184.098   32.475  122.772   18.560  270.421   25.696  225.150   17.638 45.27173 31.16738 
1 1 1   12   18   16 o  136.507   11.827   47.145   6.7642   68.373   9.6994   27.046   9.4379  169.528   12.242  103.485   20.239 66.04239 23.65387 
1 1 1   12   18   17 f  164.641   10.052   64.430   7.5200   67.259   12.255   62.721   9.5239  167.065   15.695  162.217   12.563 4.848724 20.10387 
1 1 1   12   18   18 o  235.401   13.323  132.835   14.413  151.254   23.041  120.996   18.473  247.913   19.887  222.889   17.734 25.02399 26.64515 
1 1 1   12   18   19 f  104.441   9.2796   26.618   4.2438   24.573   7.2581   27.680   5.2311  100.866   15.397  108.017   10.362 -7.151459 18.55930 
1 1 1   12   18   20 o  181.989   12.014   80.722   10.217   81.114   14.593   80.344   14.310  182.365   17.122  181.613   16.859 0.7518616 24.02897 
1 1 1   12   18   21 o  129.520   11.545   41.002   6.8843   39.442   10.559   42.156   9.0791  126.886   17.807  132.154   14.700 -5.267731 23.09041 
1 1 1   12   18   22 o  107.299   10.085   25.936   4.8870   37.487   8.1400   19.426   6.1108  124.842   13.951   89.755   14.568 35.08723 20.17099 
1 1 1   12   18   23 o  209.377   13.604  108.032   13.285  116.918   18.987   99.508   18.596  218.154   18.623  200.600   19.835 17.55412 27.20736 
1 1 1   12   18   24 o  102.642   13.800   26.430   6.1579   26.432   10.477   26.429   7.6115  100.798   22.776  104.485   15.587 -3.687363 27.59930 
1 1 1   12   18   25 o  139.676   15.788   55.595   8.9164   70.256   11.339   31.846   14.432  170.852   14.201  108.500   28.202 62.35149 31.57555 
1 1 1   12   18   26 o  143.368   9.5587   46.510   6.2140   62.636   10.418   37.603   7.7422  161.479   13.804  125.256   13.226 36.22263 19.11741 
1 1 1   12   18   27 f  113.809   11.473   31.575   6.0585   29.857   8.9599   33.023   8.2233  110.647   17.327  116.970   15.043 -6.323723 22.94578 
1 1 1   12   18   28 o  140.067   11.296   47.618   7.2962   58.287   10.619   38.076   10.042  155.351   14.626  124.783   17.220 30.56868 22.59283 
1 1 1   12   18   29 o  209.352   12.073  107.649   11.776   96.951   16.392  119.062   16.930  198.228   17.694  220.476   16.431 -22.24838 24.14597 
1 1 1   12   18   30 o  195.184   12.085   93.712   11.011   94.544   15.263   92.808   15.901  196.344   16.633  194.024   17.536 2.320557 24.16927 
1 1 1   12   18   31 o  105.886   10.638   27.094   5.2420   25.988   7.0427   28.468   7.8491  103.602   14.546  108.170   15.526 -4.568626 21.27545 
1 1 1   12   18   32 o  184.286   12.729   84.045   10.953   80.396   15.524   87.663   15.457  180.044   18.449  188.528   17.543 -8.483582 25.45853 
1 1 1   12   18   33 o   69.892   15.635   9.7991   4.4747   18.349   11.402   8.2427   4.8650   82.578   26.262   57.207   16.973 25.37064 31.26933 
1 1 1   12   18   34 o   61.511   16.032   5.8413   5.4850   15.633   11.148   2.7143   6.3002   77.069   26.049   45.953   18.694 31.11669 32.06310 
1 1 1   12   18   35 o  129.525   13.569   43.384   7.6823   45.489   9.8037   40.035   12.366  136.037   15.420  123.012   22.332 13.02522 27.13853 
1 1 1   12   18   36 o  193.151   15.108   97.810   11.794   99.924   13.784   92.033   22.790  201.955   14.604  184.347   26.452 17.60806 30.21582 
1 1 1   12   18   37 o   72.528   15.085   14.222   5.5627   10.752   8.5365   16.783   7.3334   65.425   22.772   79.631   19.791 -14.20620 30.17071 
1 1 1   12   18   38 o  160.243   18.248   72.844   12.067   77.777   14.770   62.947   20.923  175.394   18.019  145.093   31.739 30.30025 36.49697 
1 1 1   12   18   39 o  138.637   10.401   47.015   6.5895   45.341   8.4198   49.661   10.585  136.197   13.228  141.076   16.055 -4.879425 20.80254 
1 1 1   12   18   40 o   47.557   12.009   4.1100   3.4375   1.4528   4.3502   8.5274   5.6089   37.373   15.406   57.740   18.425 -20.36731 24.01734 
1 1 1   12   18   41 o   80.286   16.959   18.807   6.6199   14.487   13.151   20.273   7.6612   73.587   27.860   86.984   19.346 -13.39681 33.91834 
1 1 1   12   18   42 o   42.791   12.962   0.6476   4.5825   3.3597   7.1835  -1.2134   5.9505   48.042   19.800   37.540   16.735 10.50150 25.92479 
1 1 1   12   18   43 o   48.047   13.701   3.6122   4.6844   5.6749   7.3330   2.1902   6.0886   52.581   20.567   43.513   18.106 9.067478 27.40124 
1 1 1   12   18   44 o   38.651   11.495  -0.7508   3.7648  -4.9590   4.9764   4.8814   5.7571   29.219   13.814   48.082   18.378 -18.86323 22.99069 
1 1 1   12   18   45 o   66.693   14.383   12.543   5.2466   6.8492   7.7437   17.376   7.1336   54.468   21.182   78.918   19.463 -24.44941 28.76636 
1 1 1   12   18   46 o   43.962   14.320  -0.5956   4.6922  -0.8424   5.0374   1.0222   12.899   34.522   15.393   53.401   24.152 -18.87969 28.63984 
1 1 1   12   18   47 o   46.375   13.848   2.7747   5.1743   1.2502   7.7524   3.9993   6.9484   45.033   19.622   47.718   19.547 -2.685490 27.69678 
1 1 1   12   18   48 o   71.044   13.120   11.834   4.4700   6.1502   5.3865   24.404   8.0107   49.281   17.985   92.807   19.106 -43.52541 26.23906 
1 1 1   12   18   49 o   47.444   13.426   5.1851   4.2561   5.8102   4.9275   3.3487   8.4457   47.291   17.210   47.597   20.610 -0.3057861 26.85101 
1 1 1   12   18   50 o   43.540   17.202   4.2674   5.1751   4.2674   5.1751   0.0000   0.0000   43.540   17.202  ?   ?       ?      ? 
1 1 1   12   18   51 f   63.651   18.444   14.479   8.7825   11.524   12.101   17.767   12.766   59.627   25.212   67.674   26.928 -8.046589 36.88887 
1 1 1   12   18   52 o   44.791   13.862   1.5043   6.1341 -11.6693   11.152   7.2187   7.3450   38.401   18.768   51.182   20.407 -12.78127 27.72475 
1 1 1   12   18   53 o   48.776   15.549   3.5028   7.5751   9.5658   11.175  -1.6512   10.303   54.751   23.708   42.800   20.124 11.95050 31.09768 
1 1 1   12   19    0 o  347.658   20.207  301.817   45.709  301.817   45.709  301.817   45.709  347.658   28.577  347.658   28.577 -0.000000 0.000000 
1 1 1   12   19    1 o  162.054   11.249   63.276   8.5168   65.166   12.062   61.397   12.027  164.534   15.687  159.573   16.127 4.961319 22.49774 
1 1 1   12   19    2 o  294.778   17.739  219.872   24.140  182.938   34.104  256.957   34.173  267.936   27.235  321.620   22.735 -53.68347 35.47773 
1 1 1   12   19    3 f  121.321   14.922   41.287   7.3199   49.063   8.9803   25.892   12.636  143.349   13.405   99.293   26.665 44.05564 29.84484 
1 1 1   12   19    4 o  124.319   8.7321   35.413   4.9780   45.847   7.9567   28.702   6.3812  138.824   12.264  109.813   12.434 29.01119 17.46421 
1 1 1   12   19    5 o  222.083   13.562  120.316   14.072  117.499   19.944  123.109   19.858  219.359   19.455  224.806   18.901 -5.446671 27.12435 
1 1 1   12   19    6 o   91.733   12.850   21.642   4.6684   19.039   9.3222   22.514   5.3934   86.113   22.803   97.353   11.854 -11.24069 25.70040 
1 1 1   12   19    7 o  257.952   20.003  171.562   22.462  164.742   38.914  174.970   27.507  249.777   33.336  266.128   22.116 -16.35144 40.00525 
1 1 1   12   19    8 o  114.674   15.208   32.766   7.9231   25.692   10.837   40.889   11.613   99.819   23.602  129.528   19.184 -29.70886 30.41502 
1 1 1   12   19    9 o  120.652   14.088   37.117   7.0874   33.392   12.469   38.895   8.6144  113.841   24.182  127.462   14.461 -13.62110 28.17607 
1 1 1   12   19   10 o  166.751   17.692   71.101   13.203   85.516   18.703   56.782   18.640  186.261   21.486  147.242   28.114 39.01891 35.38402 
1 1 1   12   19   11 o  180.204   15.072   81.192   11.837   76.723   20.473   83.437   14.508  174.595   25.090  185.812   16.707 -11.21716 30.14344 
1 1 1   12   19   12 o  112.077   13.042   31.409   6.1748   30.057   10.798   32.066   7.5268  108.423   22.061  115.730   13.916 -7.306625 26.08376 
1 1 1   12   19   13 o   31.941   10.227  -2.2834   3.1065  -1.5456   5.3068  -2.6681   3.8316   35.886   15.912   27.996   12.852 7.890284 20.45410 
1 1 1   12   19   14 f   82.518   13.168   18.292   4.8993   12.432   8.3582   21.359   6.0472   70.644   22.487   94.393   13.708 -23.74979 26.33528 
1 1 1   12   19   15 o  331.283   23.058  287.272   30.762  311.594   61.677  279.218   35.492  329.101   40.100  333.465   22.774 -4.363892 46.11602 
1 1 1   12   19   16 o   99.989   11.853   23.215   5.2477   30.251   9.0205   19.615   6.4518  111.308   17.341   88.670   16.165 22.63784 23.70627 
1 1 1   12   19   17 o  122.261   15.292   38.168   8.4572   44.640   11.959   31.694   11.961  134.559   19.017  109.963   23.953 24.59534 30.58428 
1 1 1   12   19   18 o  164.602   16.038   65.783   12.338   0.0000   0.0000   65.783   12.338  ?   ?   164.602   16.038      ?      ? 
1 1 1   12   19   19 o  223.852   20.023  135.124   19.061  118.295   33.236  143.372   23.268  207.575   34.260  240.129   20.733 -32.55399 40.04541 
1 1 1   12   19   20 o  125.115   13.943   40.442   7.2931   35.531   12.613   42.909   8.9388  116.732   23.924  133.498   14.327 -16.76651 27.88634 
1 1 1   12   19   21 o  197.852   12.292   95.829   11.331   89.732   16.271  101.571   15.790  191.318   18.198  204.386   16.530 -13.06841 24.58465 
1 1 1   12   19   22 o  325.074   24.583  280.415   35.585  329.697   61.815  255.987   43.520  339.247   38.988  310.901   29.952 28.34616 49.16507 
1 1 1   12   19   23 o  150.970   11.731   55.333   8.2704   57.539   11.982   53.326   11.430  153.811   16.668  148.129   16.510 5.682785 23.46114 
1 1 1   12   19   24 o  147.898   12.083   53.472   8.3159   50.086   12.055   56.548   11.487  143.073   18.029  152.722   16.094 -9.648865 24.16675 
1 1 1   12   19   25 o   73.101   11.645   12.538   3.6362   16.240   6.6908   10.986   4.3318   79.879   18.314   66.324   14.389 13.55512 23.28996 
1 1 1   12   19   26 o  183.031   12.795   82.520   10.921   90.369   15.812   75.362   15.101  191.566   17.662  174.496   18.518 17.07005 25.59004 
1 1 1   12   19   27 f   58.267   13.476   8.2907   4.3444   5.4482   6.5667   10.503   5.7936   52.334   19.717   64.200   18.376 -11.86521 26.95265 
1 1 1   12   19   28 o   57.999   14.571   6.7270   4.6340   10.824   8.5253   5.0087   5.5208   66.653   22.778   49.345   18.177 17.30767 29.14231 
1 1 1   12   19   29 o  221.240   21.508  132.636   22.237  133.187   31.626  132.096   31.273  221.569   30.542  220.910   30.291 0.6586151 43.01555 
1 1 1   12   19   30 o  121.236   15.527   35.898   8.7975   0.0000   0.0000   35.898   8.7975  ?   ?   121.236   15.527      ?      ? 
1 1 1   12   19   31 o   96.688   12.678   22.554   5.7286   0.0000   0.0000   22.554   5.7286  ?   ?    96.688   12.678      ?      ? 
1 1 1   12   19   32 o   80.347   17.237   15.622   6.0162   20.673   13.454   14.359   6.7261   86.518   28.606   74.176   19.239 12.34152 34.47432 
1 1 1   12   19   33 o  114.912   11.595   31.699   6.0583   28.694   7.5963   36.951   10.042  108.167   15.027  121.657   17.662 -13.49004 23.18978 
1 1 1   12   19   34 o   88.526   11.006   20.339   4.2640   23.074   5.5435   16.378   6.6726   97.742   12.135   79.310   18.364 18.43214 22.01151 
1 1 1   12   19   35 o   98.509   21.296   25.881   9.5186   25.881   9.5186   0.0000   0.0000   98.509   21.296  ?   ?       ?      ? 
1 1 1   12   19   36 o   55.981   12.589   7.9985   3.7110   8.9662   4.7244   6.4395   5.9964   59.014   16.491   52.949   19.025 6.065220 25.17799 
1 1 1   12   19   37 o   93.335   11.680   23.085   4.7719   27.271   6.2879   17.400   7.3278  105.809   12.716   80.860   19.596 24.94926 23.35989 
1 1 1   12   19   38 o  104.784   10.353   27.230   4.9918   27.646   6.5542   26.655   7.7030  106.283   13.195  103.286   15.958 2.997482 20.70667 
1 1 1   12   19   39 o  158.062   10.879   63.632   7.8062   69.293   10.248   55.804   12.049  168.048   13.048  148.077   17.412 19.97154 21.75801 
1 1 1   12   19   40 o   59.499   14.256   9.3768   4.6928   6.7115   8.3301   10.616   5.6799   55.971   21.913   63.026   18.240 -7.055229 28.51151 
1 1 1   12   19   41 o  162.016   12.526   67.517   9.1580   90.962   13.492   47.487   12.471  190.097   15.187  133.934   19.923 56.16341 25.05134 
1 1 1   12   19   42 o  138.815   9.8657   44.931   6.1608   32.103   7.7489   66.973   10.158  113.151   14.653  164.480   13.214 -51.32904 19.73142 
1 1 1   12   19   43 o   61.608   12.661   8.6449   4.1541   3.3616   5.2674   17.338   6.7565   43.486   17.299   79.731   18.491 -36.24443 25.32153 
1 1 1   12   19   44 o  102.177   20.144   34.100   10.042   26.848   13.277   43.796   15.351   89.178   28.336  115.176   28.640 -25.99809 40.28836 
1 1 1   12   19   45 o   84.022   15.228   20.614   5.9776   20.845   9.0449   20.435   7.9648   83.574   22.610   84.470   20.405 -0.8965073 30.45578 
1 1 1   12   19   46 o  137.087   11.181   46.800   6.9661   34.829   8.9372   65.332   11.120  114.968   16.633  159.206   14.945 -44.23714 22.36125 
1 1 1   12   19   47 o   84.266   13.365   21.181   5.1419   23.818   6.5254   16.861   8.3513   95.243   14.660   73.289   22.351 21.95454 26.72955 
1 1 1   12   19   48 o   39.538   11.376   1.4345   3.8869   6.0633   4.7537  -7.9023   6.7514   47.692   16.960   31.383   15.167 16.30900 22.75269 
1 1 1   12   19   49 f   81.028   16.491   18.773   5.5706   16.137   6.2094   29.639   12.609   73.965   18.109   88.092   27.566 -14.12772 32.98162 
1 1 1   12   19   50 o   53.655   16.203   3.9346   6.3617  -0.6969   7.3380   17.949   12.765   39.521   18.008   67.789   26.941 -28.26826 32.40539 
1 1 1   12   19   51 o   55.869   24.071   9.3271   11.405   9.3271   11.405   0.0000   0.0000   55.869   24.071  ?   ?       ?      ? 
1 1 1   12   19   52 o   45.237   14.723   1.6740   7.0623   3.6104   10.947   0.2935   9.2431   47.805   21.864   42.670   19.723 5.135105 29.44559 
1 1 1   12   20    0 o   91.888   11.722   21.838   6.4305   21.838   6.4305   21.838   6.4305   91.888   16.577   91.888   16.577 -0.000000 0.000000 
1 1 1   12   20    1 o  124.545   15.081   38.882   8.5481   43.645   12.245   34.354   11.939  133.387   19.642  115.703   22.889 17.68429 30.16184 
1 1 1   12   20    2 o  118.954   15.079   40.834   7.2200   23.368   12.614   49.344   8.8051   94.187   27.160  143.722   13.109 -49.53526 30.15848 
1 1 1   12   20    3 o  166.154   10.276   66.187   7.8127   66.812   12.389   65.774   10.067  166.353   15.935  165.955   12.979 0.3982391 20.55234 
1 1 1   12   20    4 o  187.107   12.885   80.918   9.9206   95.241   19.969   76.224   11.431  195.810   21.821  178.404   13.710 17.40643 25.77075 
1 1 1   12   20    5 o   49.391   10.296   5.2169   2.6379   9.2992   4.2311   2.6211   3.3739   60.996   14.957   37.786   14.153 23.21035 20.59166 
1 1 1   12   20    6 f   86.223   9.6213   18.119   3.6927   17.734   5.8449   18.374   4.7638   84.575   15.353   87.871   11.600 -3.295792 19.24262 
1 1 1   12   20    7 o  109.014   11.468   28.277   5.8425   0.0000   0.0000   28.277   5.8425  ?   ?   109.014   11.468      ?      ? 
1 1 1   12   20    8 o  120.753   13.741   41.417   6.0804   27.419   11.974   46.280   7.0582  101.929   25.263  139.577   10.820 -37.64789 27.48296 
1 1 1   12   20    9 o  162.040   13.746   64.838   9.7538   64.370   16.959   65.070   11.923  160.079   22.668  164.002   15.556 -3.923111 27.49251 
1 1 1   12   20   10 o  139.051   16.202   55.523   8.9530   34.133   15.392   66.461   11.006  111.923   29.141  166.178   14.172 -54.25512 32.40426 
1 1 1   12   20   11 o  261.458   24.865  189.649   30.366  183.111   42.914  196.206   42.973  256.134   35.850  266.783   34.467 -10.64838 49.73093 
1 1 1   12   20   12 o  149.381   17.117   62.500   10.261   44.558   17.868   71.329   12.534  127.218   30.457  171.544   15.634 -44.32630 34.23472 
1 1 1   12   20   13 o  161.372   15.146   69.299   9.0876   58.586   18.329   72.791   10.464  148.421   27.435  174.324   12.844 -25.90256 30.29253 
1 1 1   12   20   14 o  169.383   17.208   73.166   13.528   82.768   19.210   63.721   19.053  181.353   22.665  157.413   25.899 23.94022 34.41631 
1 1 1   12   20   15 o   64.220   14.472   9.9015   5.0054   13.276   7.2459   6.8220   6.9226   72.110   20.520   56.330   20.414 15.77991 28.94497 
1 1 1   12   20   16 o  161.023   16.699   65.587   12.565   66.370   17.724   64.796   17.816  162.103   23.395  159.943   23.835 2.160370 33.39784 
1 1 1   12   20   17 o  184.593   18.055   94.274   13.444   70.196   22.985  106.796   16.575  159.814   31.891  209.372   16.939 -49.55855 36.11086 
1 1 1   12   20   18 o  293.716   21.634  222.104   28.298  255.979   49.042  205.197   34.647  305.231   34.379  282.202   26.270 23.02902 43.26727 
1 1 1   12   20   19 o  209.877   17.038  107.435   15.993  127.178   27.670   97.529   19.599  221.918   26.679  197.837   21.197 24.08047 34.07502 
1 1 1   12   20   20 o   89.275   15.124   20.842   6.3456   14.915   9.1127   26.422   8.8415   76.358   23.359  102.191   19.218 -25.83298 30.24878 
1 1 1   12   20   21 o   98.024   15.541   25.122   7.2004   32.937   9.9536   16.544   10.429  115.896   18.377   80.152   25.067 35.74368 31.08178 
1 1 1   12   20   22 o   77.238   14.407   13.691   4.9317   20.586   9.2062   10.915   5.8404   88.845   22.227   65.630   18.334 23.21478 28.81323 
1 1 1   12   20   23 o  119.157   14.600   36.422   7.2890   35.297   12.990   36.938   8.8061  115.074   24.878  123.240   15.289 -8.165085 29.20081 
1 1 1   12   20   24 o   97.076   12.714   23.761   5.5338   25.877   8.2957   22.063   7.4280  100.920   18.261   93.232   17.695 7.687431 25.42783 
1 1 1   12   20   25 o  114.774   12.365   32.412   6.6088   32.524   9.7635   32.319   8.9784  114.710   18.212  114.839   16.729 -0.1287613 24.72932 
1 1 1   12   20   26 o  161.920   11.784   64.413   8.8803   59.978   12.823   68.501   12.310  156.132   17.573  167.708   15.706 -11.57520 23.56898 
1 1 1   12   20   27 o  206.271   16.116  101.800   14.921  135.901   25.914   84.890   18.249  229.328   24.179  183.215   21.312 46.11336 32.23106 
1 1 1   12   20   28 o   86.676   12.946   18.134   5.2441   0.0000   0.0000   18.134   5.2441  ?   ?    86.676   12.946      ?      ? 
1 1 1   12   20   29 o  109.668   17.529   39.811   8.7193   13.827   17.581   48.288   10.041   78.947   31.540  140.389   15.304 -61.44274 35.05745 
1 1 1   12   20   30 o  257.273   26.293  200.406   31.549  215.373   45.194  186.180   44.062  268.445   36.023  246.100   38.309 22.34578 52.58607 
1 1 1   12   20   31 o  194.538   22.985  129.101   15.854  149.131   18.407   71.547   31.201  245.704   16.030  143.371   43.086 102.3333 45.97099 
1 1 1   12   20   32 o  138.470   14.978   55.577   7.6879   62.017   9.0184   38.451   14.706  160.249   12.042  116.691   27.428 43.55829 29.95534 
1 1 1   12   20   33 o   80.588   11.169   17.037   4.0685   22.834   5.6290   10.697   5.8871   97.054   12.410   64.123   18.574 32.93111 22.33817 
1 1 1   12   20   34 o   76.688   10.533   14.873   3.6691   20.334   5.3196   9.9180   5.0674   91.505   12.439   61.872   17.001 29.63329 21.06556 
1 1 1   12   20   35 o  100.397   9.7344   25.560   4.3124   19.474   6.2492   31.092   5.9584   87.314   15.900  113.480   11.235 -26.16537 19.46881 
1 1 1   12   20   36 o  123.852   15.074   40.472   7.1142   40.304   8.1337   41.021   14.676  128.148   13.581  119.556   26.915 8.591583 30.14771 
1 1 1   12   20   37 o   66.603   12.667   11.686   3.9934   11.434   5.2420   12.035   6.1647   66.004   16.916   67.202   18.859 -1.197884 25.33386 
1 1 1   12   20   38 o   73.712   14.952   13.996   4.8423   12.972   5.5414   17.304   9.9595   69.916   17.100   77.508   24.533 -7.592049 29.90469 
1 1 1   12   20   39 o  151.351   15.640   64.909   8.8987   67.711   10.324   56.809   17.553  165.335   13.361  137.366   28.284 27.96930 31.28047 
1 1 1   12   20   40 o   81.243   12.642   17.729   4.5935   18.310   5.9130   16.844   7.2948   84.071   15.624   78.415   19.878 5.656204 25.28395 
1 1 1   12   20   41 o   52.121   12.208   7.1586   4.0884   10.848   4.6861  -4.6025   8.3661   64.039   15.764   40.204   18.647 23.83527 24.41696 
1 1 1   12   20   42 o  112.730   12.592   33.442   6.5673   37.087   10.190   30.853   8.5889  117.289   18.590  108.172   16.990 9.116737 25.18380 
1 1 1   12   20   43 f   46.627   12.528   4.9115   3.7569   4.4872   5.0916   5.4186   5.5663   45.161   17.278   48.094   18.145 -2.933147 25.05550 
1 1 1   12   20   44 o   42.196   11.171   1.7320   3.7829   8.0194   4.8566  -7.9675   6.0321   54.640   17.109   29.752   14.368 24.88756 22.34229 
1 1 1   12   20   45 o   78.607   12.911   17.436   4.5706   17.132   5.8530   17.912   7.3171   79.064   16.379   78.149   19.962 0.9154739 25.82155 
1 1 1   12   20   46 o   48.789   13.228   5.8403   4.0702   5.1979   5.0352   7.0514   6.9139   45.815   17.264   51.763   20.047 -5.948345 26.45645 
1 1 1   12   20   47 o   53.528   14.527   8.0491   5.1911   5.7657   7.6988   9.9527   7.0295   49.661   20.486   57.395   20.602 -7.734650 29.05350 
1 1 1   12   20   48 o   45.952   14.518   2.3706   4.6244   1.6875   4.9822   6.6195   12.426   37.588   16.046   54.316   24.201 -16.72771 29.03690 
1 1 1   12   20   49 o   55.344   17.196   8.0414   8.5883   9.1442   11.485   6.6425   12.936   56.269   24.200   54.419   24.437 1.849403 34.39137 
1 1 1   12   20   50 o   45.538   15.053   0.0040   7.9402   0.8840   10.612  -1.1156   11.969   45.528   21.075   45.548   21.500 -0.2023697E-01 30.10672 
1 1 1   12   21    0 o   61.904   14.363   11.652   5.2117   11.652   5.2117   11.652   5.2117   61.904   20.312   61.904   20.312 -0.000000 0.000000 
1 1 1   12   21    1 o   56.106   11.670   7.7175   3.2694   6.5726   4.4355   9.0797   4.8381   52.083   16.358   60.129   16.648 -8.046299 23.33959 
1 1 1   12   21    2 o   43.960   10.636   4.3936   2.6196   3.0812   4.3891   5.1197   3.2648   41.975   16.046   45.944   13.967 -3.969002 21.27295 
1 1 1   12   21    3 o  109.359   13.525   33.450   5.5040   23.647   11.060   36.677   6.3456   94.558   24.742  124.160   10.936 -29.60183 27.05070 
1 1 1   12   21    4 o  244.985   14.205  152.688   15.607  131.373   24.678  166.895   20.148  228.036   23.156  261.933   16.458 -33.89729 28.40930 
1 1 1   12   21    5 o  198.599   12.652   96.611   11.743   96.285   16.644   96.935   16.570  198.227   17.966  198.970   17.819 -0.7434082 25.30427 
1 1 1   12   21    6 o  141.741   17.158   63.706   8.6865   31.726   17.313   74.466   10.042  106.915   32.086  176.566   12.169 -69.65150 34.31668 
1 1 1   12   21    7 o  222.201   17.029  130.687   14.707  113.985   29.441  136.241   16.978  207.045   30.426  237.356   15.305 -30.31035 34.05848 
1 1 1   12   21    8 o  297.700   23.273  240.796   27.314  235.768   54.667  242.470   31.532  283.926   41.198  311.474   21.662 -27.54742 46.54586 
1 1 1   12   21    9 o  210.995   19.177  122.188   16.516   97.504   28.357  134.859   20.317  187.644   33.568  234.345   18.551 -46.70042 38.35323 
1 1 1   12   21   10 f   91.076   12.835   19.546   5.2774   27.112   8.6390   15.042   6.6657  105.344   17.547   76.808   18.736 28.53619 25.67006 
1 1 1   12   21   11 o  244.373   23.020  161.500   26.257  153.080   37.077  169.972   37.190  237.036   33.469  251.710   31.614 -14.67317 46.03944 
1 1 1   12   21   12 o   90.559   12.846   18.960   4.9404   26.302   9.0502   15.843   5.8965  101.693   19.754   79.425   16.427 22.26869 25.69228 
1 1 1   12   21   13 o  162.182   17.872   68.998   12.727   48.505   17.856   90.160   18.144  133.727   29.374  190.637   20.365 -56.91042 35.74309 
1 1 1   12   21   14 o  100.658   13.661   24.330   6.4266   0.0000   0.0000   24.330   6.4266  ?   ?   100.658   13.661      ?      ? 
1 1 1   12   21   15 o  207.701   18.476  105.841   17.935   0.0000   0.0000  105.841   17.935  ?   ?   207.701   18.476      ?      ? 
1 1 1   12   21   16 o   62.288   13.272   8.7241   4.0548   13.320   7.0107   6.4140   4.9706   72.263   20.052   52.313   17.392 19.94987 26.54374 
1 1 1   12   21   17 f   87.461   13.350   19.085   5.0537   20.503   8.7915   18.386   6.1762   89.063   21.390   85.859   15.980 3.203789 26.70020 
1 1 1   12   21   18 o   42.152   11.803   2.6452   3.3811   1.6832   5.6448   3.1835   4.2224   42.544   17.545   41.759   15.792 0.7843895 23.60521 
1 1 1   12   21   19 o   93.236   12.165   20.154   4.4869   24.988   9.3099   18.692   5.1209   98.194   20.927   88.278   12.412 9.915794 24.33098 
1 1 1   12   21   20 o  119.990   13.038   36.304   5.9869   35.809   12.198   36.461   6.8716  116.645   23.192  123.334   11.921 -6.689133 26.07631 
1 1 1   12   21   21 o  152.050   13.691   53.685   9.3789   75.120   16.032   42.533   11.564  173.316   19.793  130.785   18.920 42.53125 27.38106 
1 1 1   12   21   22 o   78.214   12.748   13.571   3.8989   19.847   8.6110   11.953   4.3728   87.212   21.309   69.216   13.999 17.99620 25.49554 
1 1 1   12   21   23 o   62.810   13.677   9.1530   3.6417   10.416   8.8634   8.8966   3.9945   66.132   23.194   59.488   14.500 6.643463 27.35300 
1 1 1   12   21   24 o  104.219   14.198   28.721   5.4941   25.805   11.916   29.509   6.1914   97.508   25.763  110.930   11.943 -13.42208 28.39655 
1 1 1   12   21   25 o  162.093   17.419   65.064   13.196   0.0000   0.0000   65.064   13.196  ?   ?   162.093   17.419      ?      ? 
1 1 1   12   21   26 o   83.922   12.481   16.986   4.8953   0.0000   0.0000   16.986   4.8953  ?   ?    83.922   12.481      ?      ? 
1 1 1   12   21   27 o   88.517   14.382   19.118   5.9498   0.0000   0.0000   19.118   5.9498  ?   ?    88.517   14.382      ?      ? 
1 1 1   12   21   28 o  206.568   13.600   90.886   12.040  161.788   23.255   64.922   14.073  252.554   19.703  160.581   18.752 91.97295 27.19957 
1 1 1   12   21   29 o  160.750   11.322   62.870   8.2489   86.569   12.474   44.455   10.996  188.216   14.182  133.283   17.653 54.93268 22.64405 
1 1 1   12   21   30 o  136.372   15.143   47.698   9.5815   44.236   12.661   52.339   14.657  131.102   20.665  141.642   22.142 -10.54066 30.28693 
1 1 1   12   21   31 o   81.832   12.952   18.169   4.6300   19.810   5.5754   14.523   8.3106   90.135   13.236   73.529   22.268 16.60562 25.90429 
1 1 1   12   21   32 o  104.893   9.3240   26.833   4.4823   34.064   6.5498   20.464   6.1471  118.620   11.815   91.165   14.428 27.45556 18.64809 
1 1 1   12   21   33 o  101.267   11.179   26.159   5.0136   27.469   6.5094   24.248   7.8609  106.008   13.139   96.526   18.090 9.482658 22.35815 
1 1 1   12   21   34 o  168.065   12.773   68.986   10.033   68.986   10.033   0.0000   0.0000  168.065   12.773  ?   ?       ?      ? 
1 1 1   12   21   35 o  191.047   11.165   92.219   9.7719   94.724   12.767   88.675   15.184  195.657   13.962  186.436   17.427 9.221466 22.33038 
1 1 1   12   21   36 o   68.042   13.652   12.208   4.2241   11.867   4.9570   13.112   8.0722   67.214   16.009   68.870   22.117 -1.655663 27.30326 
1 1 1   12   21   37 o   98.093   14.835   26.720   5.7122   27.228   6.4944   24.985   12.005  104.910   13.246   91.277   26.548 13.63312 29.66924 
1 1 1   12   21   38 o   62.194   12.702   10.249   3.8286   10.085   4.8667   10.514   6.2017   61.790   16.530   62.598   19.291 -0.8081818 25.40398 
1 1 1   12   21   39 o  194.478   11.258   78.860   9.1627   57.886   10.492  146.263   18.809  151.253   14.842  237.704   16.931 -86.45126 22.51555 
1 1 1   12   21   40 f   62.184   14.362   11.096   4.5487   12.042   5.1051   7.4495   10.019   66.704   16.474   57.664   23.530 9.039604 28.72332 
1 1 1   12   21   41 o   76.110   13.792   19.368   5.4268   23.708   6.2112   5.3623   11.157   96.519   13.770   55.702   23.901 40.81684 27.58326 
1 1 1   12   21   42 o   83.078   14.923   22.557   6.2871   27.554   7.4370   10.040   11.770  103.282   15.407   62.875   25.562 40.40715 29.84603 
1 1 1   12   21   43 o   73.336   13.544   15.803   5.0760   8.4840   7.3161   22.597   7.0485   56.029   20.870   90.642   17.270 -34.61309 27.08828 
1 1 1   12   21   44 o   41.025   12.508   1.4443   4.5039  -3.3744   7.5870   4.0665   5.5967   37.893   17.637   44.157   17.741 -6.263542 25.01591 
1 1 1   12   21   45 o   60.055   14.638   10.943   4.8924   11.354   8.0301   10.701   6.1698   60.355   21.969   59.755   19.351 0.5999222 29.27667 
1 1 1   12   21   46 o   43.871   10.718   1.7427   3.3115  -4.4992   4.2688   11.176   5.2477   26.102   12.469   61.640   17.436 -35.53808 21.43536 
1 1 1   12   21   47 o   50.064   14.638   5.3664   4.9669   3.7424   5.7575   10.091   9.8205   43.006   17.725   57.121   23.300 -14.11570 29.27587 
1 1 1   12   21   48 o   38.249   12.828  -1.9624   4.7229  -1.7857   5.1843  -2.8242   11.452   32.368   14.893   44.129   20.891 -11.76124 25.65589 
1 1 1   12   21   49 o   38.535   18.657  -7.1271   10.336  -7.1271   10.336   0.0000   0.0000   38.535   18.657  ?   ?       ?      ? 
1 1 1   12   22    0 o   87.838   12.306   20.334   6.3488   20.334   6.3488   20.334   6.3488   87.838   17.404   87.838   17.404 -0.000000 0.000000 
1 1 1   12   22    1 o   90.514   8.9467   18.736   3.6985   25.149   5.9683   14.739   4.7123  102.567   12.451   78.461   12.851 24.10545 17.89331 
1 1 1   12   22    2 o  177.268   10.371   74.954   8.4349   80.061   13.432   71.630   10.838  181.752   15.813  172.784   13.422 8.967972 20.74151 
1 1 1   12   22    3 o  131.416   9.5166   41.531   5.6740   41.047   9.1578   41.833   7.2286  130.367   15.031  132.465   11.676 -2.098709 19.03317 
1 1 1   12   22    4 o  100.674   9.1044   23.854   4.1926   26.245   6.7771   22.371   5.3363  104.497   13.877   96.851   11.789 7.646149 18.20889 
1 1 1   12   22    5 o   99.729   10.190   20.493   4.3123   33.226   8.6162   16.238   4.9810  117.114   15.742   82.344   12.943 34.76945 20.37987 
1 1 1   12   22    6 o  130.898   15.635   50.657   7.3897   31.159   14.846   57.079   8.5201  107.082   28.966  154.714   11.783 -47.63217 31.27067 
1 1 1   12   22    7 o  114.466   13.249   33.646   5.8126   30.704   11.662   34.619   6.7048  108.463   23.670  120.469   11.909 -12.00616 26.49742 
1 1 1   12   22    8 o  135.242   13.950   48.464   7.0180   40.450   14.165   51.072   8.0793  124.128   25.276  146.357   11.812 -22.22946 27.89991 
1 1 1   12   22    9 o   77.196   12.319   14.678   3.8962   14.896   7.9235   14.608   4.4745   76.169   21.383   78.223   12.240 -2.053535 24.63782 
1 1 1   12   22   10 o   89.012   11.846   19.433   4.2377   19.979   8.3310   19.242   4.9220   88.171   20.591   89.853   11.721 -1.682785 23.69291 
1 1 1   12   22   11 o   77.423   13.763   15.072   4.8030   16.135   8.1602   14.509   5.9411   79.079   21.510   75.766   17.175 3.313515 27.52544 
1 1 1   12   22   12 o   46.853   12.608   3.9504   3.8969   0.8490   6.4393   5.7426   4.8950   43.454   18.384   50.252   17.258 -6.798565 25.21514 
1 1 1   12   22   13 o   55.012   12.942   4.8705   4.4330  -1.2741   5.8300   13.293   6.8255   38.032   16.779   71.993   19.710 -33.96124 25.88461 
1 1 1   12   22   14 o  154.007   17.494   62.270   12.137   52.330   17.232   72.057   17.099  139.137   27.475  168.877   21.665 -29.73991 34.98879 
1 1 1   12   22   15 o   78.994   15.599   16.362   6.0353   13.649   8.5533   19.051   8.5171   72.734   22.694   85.255   21.407 -12.52119 31.19754 
1 1 1   12   22   16 o  177.576   13.542   70.878   10.673  110.416   18.830   52.162   12.955  210.488   19.141  144.663   19.162 65.82475 27.08458 
1 1 1   12   22   17 o  148.938   11.406   48.770   7.0963   67.057   14.357   42.858   8.1631  164.439   18.682  133.437   13.090 31.00233 22.81140 
1 1 1   12   22   18 o  168.154   13.104   64.264   9.8341   91.584   17.343   51.317   11.939  191.932   19.335  144.377   17.694 47.55510 26.20893 
1 1 1   12   22   19 o   82.414   12.936   19.177   4.2780   12.609   8.9924   21.099   4.8636   70.796   23.386   94.032   11.067 -23.23581 25.87239 
1 1 1   12   22   20 o  127.008   15.097   45.605   7.7509   30.200   13.264   53.592   9.5513  105.090   26.895  148.925   13.723 -43.83511 30.19334 
1 1 1   12   22   21 o  185.455   13.868   83.358   12.019   0.0000   0.0000   83.358   12.019  ?   ?   185.455   13.868      ?      ? 
1 1 1   12   22   22 o  114.238   25.265   35.436   13.131   0.0000   0.0000   35.436   13.131  ?   ?   114.238   25.265      ?      ? 
1 1 1   12   22   23 o   82.371   15.543   17.124   5.7641   0.0000   0.0000   17.124   5.7641  ?   ?    82.371   15.543      ?      ? 
1 1 1   12   22   24 o  154.088   15.022   58.181   10.818   0.0000   0.0000   58.181   10.818  ?   ?   154.088   15.022      ?      ? 
1 1 1   12   22   25 o   76.185   15.278   14.703   5.2504   0.0000   0.0000   14.703   5.2504  ?   ?    76.185   15.278      ?      ? 
1 1 1   12   22   26 o  110.259   12.814   26.663   5.9616   42.924   11.628   20.864   6.9436  130.219   19.107   90.300   17.079 39.91856 25.62719 
1 1 1   12   22   27 o  146.680   12.612   45.779   7.8577   77.232   15.664   35.203   9.0833  174.324   19.227  119.036   16.328 55.28725 25.22393 
1 1 1   12   22   28 o  152.240   14.602   59.661   8.0160   61.015   17.654   59.310   8.9970  148.062   26.485  156.419   12.307 -8.356461 29.20489 
1 1 1   12   22   29 o   98.768   15.432   26.784   6.4802   23.858   12.132   27.952   7.6653   91.359   26.721  106.177   15.447 -14.81820 30.86450 
1 1 1   12   22   30 o   86.116   22.338   20.297   9.0665   20.297   9.0665   0.0000   0.0000   86.116   22.338  ?   ?       ?      ? 
1 1 1   12   22   31 o   84.202   16.941   21.015   7.4339   26.393   9.2675   11.311   12.449   99.280   20.647   69.123   26.864 30.15675 33.88197 
1 1 1   12   22   32 o  150.681   14.958   60.245   8.6376   60.418   9.9590   59.720   17.353  156.689   13.600  144.673   26.647 12.01633 29.91665 
1 1 1   12   22   33 o  111.094   14.574   30.804   7.5670   30.804   7.5670   0.0000   0.0000  111.094   14.574  ?   ?       ?      ? 
1 1 1   12   22   34 o  134.560   9.0862   44.491   5.6794   51.608   8.3022   38.232   7.7864  144.955   12.255  124.166   13.418 20.78925 18.17234 
1 1 1   12   22   35 o   85.464   11.366   18.088   4.3764   9.9439   5.6957   29.826   6.8381   61.141   18.416  109.787   13.327 -48.64672 22.73280 
1 1 1   12   22   36 o   86.619   14.058   20.447   5.2457   20.768   6.2059   19.643   9.8172   90.984   14.595   82.254   24.031 8.730873 28.11584 
1 1 1   12   22   37 o  148.125   12.260   57.488   7.9668   56.085   13.638   58.214   9.8158  143.910   20.278  152.341   13.787 -8.430801 24.52070 
1 1 1   12   22   38 o  160.945   13.263   68.307   8.8978   66.090   10.449   74.160   16.973  161.325   13.859  160.565   22.618 0.7599487 26.52631 
1 1 1   12   22   39 o   63.275   12.334   11.647   4.0443   15.254   5.1936   6.0906   6.4464   75.792   15.192   50.758   19.436 25.03331 24.66867 
1 1 1   12   22   40 o  110.446   11.864   27.968   5.5815   19.625   6.6344   48.176   10.325   85.076   17.276  135.816   16.266 -50.74049 23.72869 
1 1 1   12   22   41 o   80.184   16.657   20.917   6.8436   23.817   8.6470   16.056   11.196   89.944   20.959   70.424   25.895 19.51987 33.31378 
1 1 1   12   22   42 o   92.187   13.266   25.549   5.5796   33.127   7.5675   16.521   8.2592  112.220   14.429   72.155   22.266 40.06471 26.53245 
1 1 1   12   22   43 o   51.564   13.919   4.2840   3.8784   1.8941   4.3034   14.622   8.9503   36.581   15.222   66.547   23.309 -29.96585 27.83890 
1 1 1   12   22   44 o   67.618   14.866   11.967   4.5087   9.2989   5.0985   21.537   9.6568   56.340   17.512   78.895   24.028 -22.55497 29.73275 
1 1 1   12   22   45 o   60.350   14.709   11.223   4.8982   13.321   8.0759   10.001   6.1608   63.441   22.146   57.260   19.365 6.181076 29.41793 
1 1 1   12   22   46 o   57.621   16.848   10.830   7.4220   8.9515   11.761   12.073   9.5677   55.635   24.206   59.607   23.440 -3.971611 33.69538 
1 1 1   12   22   47 o   52.867   15.214   8.0971   6.8207  -4.0612   11.626   14.479   8.4226   42.617   20.416   63.116   22.562 -20.49941 30.42813 
1 1 1   12   23    0 o  140.170   11.451   48.643   10.240   48.643   10.240   48.643   10.240  140.170   16.194  140.170   16.194 -0.000000 0.000000 
1 1 1   12   23    1 o  144.689   9.8796   49.809   6.5562   54.007   10.482   47.111   8.4031  149.277   15.024  140.102   12.834 9.174988 19.75926 
1 1 1   12   23    2 o  120.635   11.860   34.801   6.6863   0.0000   0.0000   34.801   6.6863  ?   ?   120.635   11.860      ?      ? 
1 1 1   12   23    3 o  209.252   11.696  107.869   11.143  102.840   17.609  111.226   14.390  204.017   18.468  214.487   14.355 -10.46997 23.39122 
1 1 1   12   23    4 o   59.052   10.533   9.1365   2.9379   6.3952   4.6887   10.908   3.7697   51.701   16.877   66.404   12.608 -14.70329 21.06691 
1 1 1   12   23    5 o   50.721   11.474   6.3439   2.9263   4.4164   5.7935   7.0041   3.3905   48.532   18.463   52.910   13.628 -4.378151 22.94825 
1 1 1   12   23    6 o   60.830   12.498   7.1163   3.2338   14.576   7.2150   5.2410   3.6175   74.992   20.154   46.668   14.787 28.32364 24.99663 
1 1 1   12   23    7 o  100.911   14.335   28.460   6.1308   19.424   10.724   32.847   7.4722   85.223   25.179  116.599   13.712 -31.37578 28.67072 
1 1 1   12   23    8 o  183.644   13.815   81.542   11.857   0.0000   0.0000   81.542   11.857  ?   ?   183.644   13.815      ?      ? 
1 1 1   12   23    9 o   72.557   13.867   13.174   4.6006   14.969   8.0429   12.302   5.6087   75.736   21.642   69.378   17.345 6.357658 27.73495 
1 1 1   12   23   10 o  127.262   15.037   39.373   8.9435   0.0000   0.0000   39.373   8.9435  ?   ?   127.262   15.037      ?      ? 
1 1 1   12   23   11 o  122.485   15.558   36.533   8.9058   0.0000   0.0000   36.533   8.9058  ?   ?   122.485   15.558      ?      ? 
1 1 1   12   23   12 o  194.271   27.164   99.334   24.663   0.0000   0.0000   99.334   24.663  ?   ?   194.271   27.164      ?      ? 
1 1 1   12   23   13 o  139.785   12.307   47.839   6.8904   48.343   13.896   47.674   7.9346  138.473   21.472  141.097   12.033 -2.624420 24.61390 
1 1 1   12   23   14 o  242.058   19.829  160.594   18.591  143.490   37.222  166.279   21.459  224.351   35.500  259.766   17.676 -35.41472 39.65760 
1 1 1   12   23   15 o  168.081   13.867   67.593   10.359   80.711   18.214   61.321   12.594  178.286   21.860  157.878   17.069 20.40817 27.73464 
1 1 1   12   23   16 o  122.770   22.529   39.508   12.450   0.0000   0.0000   39.508   12.450  ?   ?   122.770   22.529      ?      ? 
1 1 1   12   23   17 o  121.181   14.888   35.826   8.4316   0.0000   0.0000   35.826   8.4316  ?   ?   121.181   14.888      ?      ? 
1 1 1   12   23   18 o  159.376   16.342   62.606   12.172   0.0000   0.0000   62.606   12.172  ?   ?   159.376   16.342      ?      ? 
1 1 1   12   23   19 o   84.541   11.830   17.193   4.6739   0.0000   0.0000   17.193   4.6739  ?   ?    84.541   11.830      ?      ? 
1 1 1   12   23   20 o  232.701   21.114  138.699   22.963   0.0000   0.0000  138.699   22.963  ?   ?   232.701   21.114      ?      ? 
1 1 1   12   23   21 o   70.756   21.673   13.141   7.8415   0.0000   0.0000   13.141   7.8415  ?   ?    70.756   21.673      ?      ? 
1 1 1   12   23   22 o  100.297   15.511   26.596   7.3306   36.813   10.617   17.289   10.134  120.782   18.809   79.812   24.669 40.97072 31.02193 
1 1 1   12   23   23 o  150.216   13.469   53.250   8.9936   70.743   16.019   45.199   10.868  165.954   20.655  134.478   17.292 31.47580 26.93763 
1 1 1   12   23   24 o  177.776   17.923   84.919   14.837   95.216   21.686   75.859   20.343  188.547   24.611  167.004   26.064 21.54230 35.84678 
1 1 1   12   23   25 o   97.492   15.426   22.242   6.6210   38.819   11.953   14.905   7.9524  120.501   22.037   74.484   21.591 46.01701 30.85143 
1 1 1   12   23   26 o  156.003   13.675   56.629   9.4063   81.481   17.161   45.955   11.246  177.192   20.723  134.814   17.850 42.37761 27.35040 
1 1 1   12   23   27 o  213.468   25.292  142.663   24.235  118.229   34.119  167.543   34.429  187.467   40.153  239.469   30.763 -52.00177 50.58323 
1 1 1   12   23   28 o  117.819   13.686   31.222   6.7867   49.724   13.332   24.751   7.8848  138.091   20.658   97.548   17.957 40.54296 27.37129 
1 1 1   12   23   29 o   64.672   18.259   11.037   5.7607   0.0000   0.0000   11.037   5.7607  ?   ?    64.672   18.259      ?      ? 
1 1 1   12   23   30 o  171.209   13.685   72.917   9.1882   83.535   19.486   69.881   10.419  174.054   23.954  168.363   13.242 5.691422 27.37074 
1 1 1   12   23   31 o   93.426   14.893   20.800   5.0196   29.318   12.590   19.191   5.4735   98.825   26.650   88.027   13.305 10.79713 29.78606 
1 1 1   12   23   32 o   52.784   14.100   6.4740   4.1563   0.4904   10.988   7.4730   4.4899   51.851   22.948   53.718   16.390 -1.867409 28.19955 
1 1 1   12   23   33 o   95.780   11.704   23.758   4.9817   24.069   6.4171   23.288   7.9032   98.325   13.965   93.234   18.787 5.090263 23.40857 
1 1 1   12   23   34 o  175.862   12.008   80.926   9.5733   85.693   12.434   73.988   15.002  184.651   14.409  167.072   19.213 17.57884 24.01563 
1 1 1   12   23   35 f   38.623   11.265   1.4118   3.3573  -0.6190   4.5414   3.8592   4.9855   33.424   14.775   43.823   17.009 -10.39950 22.52988 
1 1 1   12   23   36 o   68.977   11.441   12.731   3.7184   8.3479   5.0542   17.903   5.4899   55.439   17.469   82.515   14.779 -27.07646 22.88184 
1 1 1   12   23   37 o   60.625   12.073   9.8224   3.6656   6.7751   4.9857   13.408   5.4080   51.037   17.419   70.213   16.720 -19.17581 24.14560 
1 1 1   12   23   38 o   56.971   13.041   8.7836   3.8837   8.7428   4.8780   8.8544   6.4185   56.772   17.030   57.171   19.755 -0.3990936 26.08228 
1 1 1   12   23   39 f   80.128   12.103   18.324   4.8646   6.7629   6.8285   30.239   6.9319   51.857   19.968  108.399   13.683 -56.54187 24.20608 
1 1 1   12   23   40 o   64.946   15.436   9.7911   4.7800   6.5442   5.3742   22.085   10.458   49.510   17.980   80.382   25.096 -30.87177 30.87218 
1 1 1   12   23   41 o   71.253   16.838   15.265   7.7029   29.859   11.362   2.8534   10.479   93.095   25.406   49.411   22.104 43.68409 33.67599 
1 1 1   12   23   42 o   97.060   17.605   27.130   7.6918   27.130   7.6918   0.0000   0.0000   97.060   17.605  ?   ?       ?      ? 
1 1 1   12   23   43 o   44.345   12.803   4.3407   4.1740   5.7834   4.9098   0.5799   7.9271   46.483   17.139   42.206   19.025 4.277576 25.60642 
1 1 1   12   23   44 o   56.318   13.939   9.7464   4.5928   11.911   6.5379   7.6373   6.4533   61.305   19.926   51.331   19.496 9.973675 27.87706 
1 1 1   12   23   45 o   70.138   14.711   13.239   5.3831   5.8060   6.4644   30.053   9.7224   46.667   18.955   93.609   22.502 -46.94193 29.42132 
1 1 1   12   24    0 o  120.481   11.384   36.379   8.6115   36.379   8.6115   36.379   8.6115  120.481   16.100  120.481   16.100 -0.000000 0.000000 
1 1 1   12   24    1 o   47.007   11.774   4.5767   3.2932   2.8280   4.4940   6.6049   4.8397   41.526   16.140   52.488   17.148 -10.96207 23.54887 
1 1 1   12   24    2 o  168.673   13.563   70.868   9.1756   70.239   18.332   71.078   10.599  165.513   23.699  171.834   13.198 -6.320984 27.12642 
1 1 1   12   24    3 o  113.396   12.823   32.763   5.6115   31.018   11.215   33.346   6.4810  108.743   22.797  118.049   11.747 -9.305588 25.64578 
1 1 1   12   24    4 o  157.801   9.9620   59.700   7.2031   62.804   11.481   57.685   9.2504  160.683   15.288  154.918   12.777 5.765137 19.92400 
1 1 1   12   24    5 o  122.515   12.915   38.061   6.1314   36.547   12.183   38.574   7.0956  118.144   22.891  126.885   11.966 -8.740883 25.82990 
1 1 1   12   24    6 o  122.785   12.496   34.649   6.8313   46.107   12.126   29.322   8.2682  136.092   19.066  109.478   16.160 26.61407 24.99287 
1 1 1   12   24    7 o  280.232   22.786  216.137   27.982  224.840   48.518  211.799   34.253  276.322   37.571  284.143   25.794 -7.820465 45.57297 
1 1 1   12   24    8 o  245.592   24.547  173.235   27.955  193.941   39.586  152.636   39.483  263.514   32.144  227.671   37.108 35.84315 49.09379 
1 1 1   12   24    9 f  100.145   15.507   24.525   7.2577   0.0000   0.0000   24.525   7.2577  ?   ?   100.145   15.507      ?      ? 
1 1 1   12   24   10 o  109.365   11.605   28.693   5.9318   0.0000   0.0000   28.693   5.9318  ?   ?   109.365   11.605      ?      ? 
1 1 1   12   24   11 o  209.802   19.505  110.761   19.125   0.0000   0.0000  110.761   19.125  ?   ?   209.802   19.505      ?      ? 
1 1 1   12   24   12 o  351.814   25.104  326.729   41.277   0.0000   0.0000  326.729   41.277  ?   ?   351.814   25.104      ?      ? 
1 1 1   12   24   13 o  179.471   26.426   86.263   22.165   0.0000   0.0000   86.263   22.165  ?   ?   179.471   26.426      ?      ? 
1 1 1   12   24   14 o  247.423   16.632  151.480   19.232   0.0000   0.0000  151.480   19.232  ?   ?   247.423   16.632      ?      ? 
1 1 1   12   24   15 o  143.818   15.797   50.946   10.617   0.0000   0.0000   50.946   10.617  ?   ?   143.818   15.797      ?      ? 
1 1 1   12   24   16 o   96.316   21.545   24.647   9.4554   0.0000   0.0000   24.647   9.4554  ?   ?    96.316   21.545      ?      ? 
1 1 1   12   24   17 o  114.008   15.667   34.365   8.0352   38.180   11.786   31.051   10.984  120.261   21.771  107.755   22.535 12.50572 31.33395 
1 1 1   12   24   18 o   52.601   13.105   5.9863   4.4405  -0.4566   7.1927   9.9543   5.6446   43.038   18.823   62.164   18.239 -19.12563 26.21007 
1 1 1   12   24   19 o   29.848   14.336  -7.7980   5.8152  -7.7980   5.8152   0.0000   0.0000   29.848   14.336  ?   ?       ?      ? 
1 1 1   12   24   20 o   66.402   15.145   11.705   5.3879   8.2960   9.1725   13.501   6.6575   61.264   23.250   71.541   19.416 -10.27652 30.29055 
1 1 1   12   24   21 o   95.169   14.919   23.164   5.8165   25.494   11.736   22.405   6.6968   95.073   25.769   95.264   15.042 -0.1913834 29.83803 
1 1 1   12   24   22 o  140.068   13.787   47.350   8.4906   59.533   15.381   42.011   10.183  150.669   21.844  129.468   16.829 21.20078 27.57433 
1 1 1   12   24   23 o  211.985   26.267  145.213   24.428   97.290   34.552  193.105   34.541  162.615   44.273  261.355   28.279 -98.74069 52.53404 
1 1 1   12   24   24 o  147.382   16.965   59.299   10.454   57.852   18.444   59.984   12.689  140.851   28.985  153.914   17.640 -13.06334 33.93083 
1 1 1   12   24   25 o   70.755   13.639   14.370   4.4111   7.5774   10.070   15.982   4.9069   60.670   23.987   80.839   12.988 -20.16880 27.27791 
1 1 1   12   24   26 o   79.207   14.994   16.041   5.3474   0.0000   0.0000   16.041   5.3474  ?   ?    79.207   14.994      ?      ? 
1 1 1   12   24   27 o   73.378   16.613   14.149   5.5645   0.0000   0.0000   14.149   5.5645  ?   ?    73.378   16.613      ?      ? 
1 1 1   12   24   28 o  103.244   18.921   32.458   9.2719   28.066   13.977   35.909   12.390   94.711   28.922  111.776   24.403 -17.06467 37.84193 
1 1 1   12   24   29 o   79.776   16.921   17.837   6.4890   19.520   11.634   17.078   7.8180   81.080   26.592   78.473   20.932 2.606644 33.84145 
1 1 1   12   24   30 o   82.467   14.991   13.768   4.9260   31.014   11.440   9.8424   5.4580  104.076   24.009   60.858   17.958 43.21735 29.98161 
1 1 1   12   24   31 o   92.965   15.235   20.489   5.3693   31.813   12.508   17.931   5.9449  103.104   25.971   82.826   15.936 20.27813 30.47057 
1 1 1   12   24   32 o  102.051   14.959   25.784   6.8521   44.123   12.030   16.977   8.3365  127.456   20.196   76.646   22.074 50.80971 29.91885 
1 1 1   12   24   33 o   60.312   15.066   7.2772   5.3548   18.192   9.4613   2.1331   6.4952   77.141   23.836   43.483   18.433 33.65859 30.13186 
1 1 1   12   24   34 o   75.405   11.730   14.624   3.9816   20.667   6.4453   10.894   5.0633   87.767   16.314   63.043   16.858 24.72423 23.45937 
1 1 1   12   24   35 o  125.434   12.775   42.613   7.1897   49.664   10.105   35.385   10.232  138.492   15.612  112.376   20.226 26.11588 25.55064 
1 1 1   12   24   36 o   39.925   11.540   2.4072   3.4503   0.9530   5.2258   3.5309   4.5940   38.043   16.342   41.807   16.299 -3.763866 23.08067 
1 1 1   12   24   37 o   88.774   12.294   23.560   4.8610   14.065   7.4321   30.659   6.4262   67.863   21.151  109.685   12.536 -41.82189 24.58739 
1 1 1   12   24   38 o   65.482   12.642   8.7205   4.2923   2.1980   5.0988   24.587   7.9524   39.297   16.477   91.668   19.179 -52.37045 25.28495 
1 1 1   12   24   39 o   55.731   12.525   9.2005   4.2953   13.798   5.4279   1.4986   7.0253   69.392   16.895   42.071   18.496 27.32048 25.05091 
1 1 1   12   24   40 o   39.878   11.758   2.3573   3.4682   1.2763   4.2595   4.4838   5.9742   34.909   14.868   44.848   18.220 -9.938614 23.51590 
1 1 1   12   24   41 o   46.878   12.065   4.4359   3.4687   1.2861   4.2691   10.554   5.9500   34.912   14.877   58.843   18.998 -23.93088 24.13006 
1 1 1   12   24   42 o   62.945   14.316   9.0683   5.1439   1.9282   6.2142   24.610   9.1681   40.375   17.581   85.515   22.599 -45.14049 28.63244 
1 1 1   12   24   43 o   40.008   12.932  -1.8145   4.2650  -4.3999   4.7753   8.3798   9.4824   27.651   13.203   52.365   22.240 -24.71444 25.86329 
1 1 1   12   25    0 o  247.141   14.813  152.214   23.796  152.214   23.796  152.214   23.796  247.141   20.949  247.141   20.949 -0.000000 0.000000 
1 1 1   12   25    1 f  111.490   13.506   31.552   6.3082   31.308   7.5855   32.100   11.359  113.306   14.325  109.674   22.901 3.631660 27.01192 
1 1 1   12   25    2 o   71.025   14.979   13.246   5.3755   11.700   7.8184   14.632   7.4027   67.487   21.777   74.564   20.573 -7.076912 29.95764 
1 1 1   12   25    3 o  213.722   23.696  134.124   22.088  173.362   31.298   95.188   31.178  254.180   26.347  173.265   39.394 80.91483 47.39253 
1 1 1   12   25    4 o  142.518   23.172   52.930   15.434   0.0000   0.0000   52.930   15.434  ?   ?   142.518   23.172      ?      ? 
1 1 1   12   25    5 o  195.797   28.238  104.991   25.839   0.0000   0.0000  104.991   25.839  ?   ?   195.797   28.238      ?      ? 
1 1 1   12   25    8 o  116.189   21.880   35.673   11.445   0.0000   0.0000   35.673   11.445  ?   ?   116.189   21.880      ?      ? 
1 1 1   12   25    9 o  252.304   37.187  194.501   43.849   0.0000   0.0000  194.501   43.849  ?   ?   252.304   37.187      ?      ? 
1 1 1   12   25   10 o  177.588   25.688   84.620   21.320   0.0000   0.0000   84.620   21.320  ?   ?   177.588   25.688      ?      ? 
1 1 1   12   25   11 o  235.889   34.679  165.610   38.231  165.610   38.231   0.0000   0.0000  235.889   34.679  ?   ?       ?      ? 
1 1 1   12   25   12 o   97.036   14.567   24.401   6.6429   36.460   9.8368   14.291   9.0068  120.745   17.432   73.327   23.343 47.41789 29.13352 
1 1 1   12   25   13 o   95.992   21.852   24.711   9.5832   24.711   9.5832   0.0000   0.0000   95.992   21.852  ?   ?       ?      ? 
1 1 1   12   25   14 o   84.437   16.204   19.957   6.6848   14.908   10.429   23.477   8.7090   74.714   25.196   94.161   20.382 -19.44724 32.40723 
1 1 1   12   25   15 o   80.725   15.615   17.483   6.0242   19.101   9.1430   16.241   8.0085   83.710   22.768   77.739   21.377 5.971115 31.23055 
1 1 1   12   25   16 o  124.332   17.949   42.896   10.076   42.893   14.192   42.899   14.309  124.414   25.269  124.251   25.497 0.1637268 35.89772 
1 1 1   12   25   17 o  143.489   11.575   44.495   6.7576   66.865   14.449   38.232   7.6453  161.771   19.111  125.206   13.066 36.56509 23.15017 
1 1 1   12   25   18 o  108.943   15.129   31.656   6.7873   30.978   12.770   31.923   8.0128  104.329   26.221  113.558   15.098 -9.228226 30.25708 
1 1 1   12   25   19 o  140.658   12.350   39.720   6.8553   91.650   13.310   20.969   7.9977  192.529   14.792   88.786   19.781 103.7433 24.69992 
1 1 1   12   25   20 o  134.428   17.672   49.977   10.829   44.915   15.393   54.938   15.239  125.207   27.093  143.648   22.699 -18.44118 35.34460 
1 1 1   12   25   21 o  148.307   18.131   64.013   10.928   53.196   19.443   69.008   13.212  131.362   31.972  165.252   17.108 -33.88992 36.26114 
1 1 1   12   25   22 o  162.281   13.797   66.187   9.8855   75.387   17.416   61.815   12.007  167.952   22.189  156.610   16.405 11.34166 27.59463 
1 1 1   12   25   23 o   80.649   14.383   16.582   5.2223   0.0000   0.0000   16.582   5.2223  ?   ?    80.649   14.383      ?      ? 
1 1 1   12   25   24 o   71.644   16.771   13.573   5.5162   0.0000   0.0000   13.573   5.5162  ?   ?    71.644   16.771      ?      ? 
1 1 1   12   25   25 o  209.126   17.711  119.953   14.771  130.670   29.770  116.452   17.013  205.319   31.024  212.932   17.096 -7.612610 35.42278 
1 1 1   12   25   26 o  143.159   12.769   47.039   7.3898   66.392   15.744   41.570   8.3690  156.990   21.458  129.328   13.846 27.66272 25.53785 
1 1 1   12   25   27 o   90.692   14.868   27.526   5.8379   11.301   12.921   31.688   6.5440   67.828   27.059  113.557   12.331 -45.72877 29.73581 
1 1 1   12   25   28 o  100.531   15.639   27.495   6.1526   29.701   13.284   26.893   6.9421   97.612   27.787  103.450   14.359 -5.838654 31.27746 
1 1 1   12   25   29 o   97.219   17.858   29.387   8.7207   17.955   12.479   40.298   12.192   76.081   27.434  118.356   22.869 -42.27503 35.71547 
1 1 1   12   25   30 o  135.505   19.098   57.058   11.837   76.096   17.611   41.368   15.988  161.484   23.335  109.526   30.239 51.95774 38.19591 
1 1 1   12   25   31 o   89.569   15.532   20.690   5.4506   29.975   12.267   18.407   6.0841   96.435   26.432   82.702   16.321 13.73302 31.06486 
1 1 1   12   25   32 o   78.330   16.501   18.163   6.1330   18.934   11.621   17.866   7.2203   77.087   26.585   79.573   19.555 -2.486282 33.00204 
1 1 1   12   25   33 o  104.677   14.981   29.078   5.8892   35.607   13.179   27.449   6.5830  105.334   26.727  104.021   13.541 1.313866 29.96180 
1 1 1   12   25   34 o  110.214   13.483   31.234   6.9450   0.0000   0.0000   31.234   6.9450  ?   ?   110.214   13.483      ?      ? 
1 1 1   12   25   35 o   64.039   12.169   12.217   3.7980   8.9321   6.1791   14.212   4.8149   55.677   19.375   72.400   14.731 -16.72330 24.33896 
1 1 1   12   25   36 o   36.806   11.264   0.8176   3.6262   2.4577   4.8686  -1.2258   5.4344   39.168   16.235   34.445   15.618 4.722733 22.52807 
1 1 1   12   25   37 f   44.978   13.090   3.3423   4.2535   1.0910   5.2167   7.8076   7.3470   37.219   16.157   52.737   20.598 -15.51722 26.17915 
1 1 1   12   25   38 o   90.638   13.841   26.815   5.9549   15.252   9.0668   35.586   7.8970   66.454   23.446  114.821   14.716 -48.36729 27.68155 
1 1 1   12   25   39 o  105.049   11.994   32.549   5.3236   25.897   8.5897   36.698   6.7835   91.056   20.659  119.043   12.193 -27.98709 23.98880 
1 1 1   12   25   40 o   44.621   12.300   4.8485   3.7278   3.0412   5.0103   7.0898   5.5793   39.810   16.483   49.431   18.262 -9.621063 24.60046 
1 1 1   12   25   41 o   40.779   12.237   2.8333   3.7450   1.8539   4.4663   5.1524   6.8728   35.868   15.249   45.690   19.142 -9.821465 24.47373 
1 1 1   12   26    0 o   75.357   19.722   18.853   9.1124   18.853   9.1124   18.853   9.1124   75.357   27.891   75.357   27.891 -0.000000 0.000000 
1 1 1   12   26    1 o   70.966   13.210   13.876   4.4089   15.780   5.3737   9.9536   7.7117   78.888   15.126   63.044   21.661 15.84401 26.41957 
1 1 1   12   26    2 o   94.304   15.362   24.710   7.1053   34.726   9.6723   12.968   10.472  117.577   17.602   71.030   25.183 46.54714 30.72458 
1 1 1   12   26    3 o   63.454   14.065   9.1098   5.4510   17.692   7.5963  -0.0001   7.8265   81.626   20.056   45.282   19.724 36.34433 28.12965 
1 1 1   12   26    4 o  135.891   22.564   48.516   14.330   0.0000   0.0000   48.516   14.330  ?   ?   135.891   22.564      ?      ? 
1 1 1   12   26    5 o   51.772   21.115   3.9136   8.0641   3.9136   8.0641   0.0000   0.0000   51.772   21.115  ?   ?       ?      ? 
1 1 1   12   26    6 o   73.521   22.922   14.524   8.7274   0.0000   0.0000   14.524   8.7274  ?   ?    73.521   22.922      ?      ? 
1 1 1   12   26    7 o   62.615   14.829   8.7026   5.6192   16.089   8.1480   2.0038   7.7596   77.239   21.684   47.991   20.235 29.24761 29.65874 
1 1 1   12   26    8 o  107.958   15.257   28.832   7.6979   0.0000   0.0000   28.832   7.6979  ?   ?   107.958   15.257      ?      ? 
1 1 1   12   26    9 o   70.344   13.814   12.490   4.3792   0.0000   0.0000   12.490   4.3792  ?   ?    70.344   13.814      ?      ? 
1 1 1   12   26   10 o  123.501   11.973   34.891   6.2088   46.505   12.367   30.978   7.1791  134.532   19.670  112.470   13.658 22.06195 23.94696 
1 1 1   12   26   11 o   56.860   14.220   7.7861   4.8413   4.3471   7.8255   9.9185   6.1622   51.862   20.928   61.857   19.257 -9.994572 28.43957 
1 1 1   12   26   12 o  121.612   13.856   36.457   6.7491   42.930   13.431   34.270   7.8062  125.193   23.826  118.032   14.151 7.161186 27.71154 
1 1 1   12   26   13 o  122.251   15.330   39.178   8.2280   41.799   13.713   37.703   10.285  122.666   24.774  121.837   18.063 0.8298721 30.65954 
1 1 1   12   26   14 o  151.711   16.487   64.765   10.404   52.771   17.431   71.403   12.968  134.665   28.581  168.757   16.442 -34.09158 32.97343 
1 1 1   12   26   15 o   95.684   12.696   20.157   4.8182   32.613   10.188   16.569   5.4684  110.728   20.441   80.641   15.064 30.08687 25.39185 
1 1 1   12   26   16 o   85.772   18.360   21.017   7.9659   19.734   10.770   22.565   11.836   83.277   25.379   88.267   26.539 -4.990417 36.72089 
1 1 1   12   26   17 o   89.304   18.002   23.104   7.9316   25.468   10.884   20.427   11.583   94.683   24.433   83.925   26.445 10.75727 36.00420 
1 1 1   12   26   18 o  146.740   13.434   53.529   7.9431   61.143   16.225   51.129   9.1094  149.637   23.201  143.843   13.551 5.794724 26.86813 
1 1 1   12   26   19 o   89.334   14.320   24.684   5.4058   14.518   11.006   27.917   6.2059   72.070   25.788  106.598   12.457 -34.52812 28.63931 
1 1 1   12   26   20 f  163.355   12.974   63.528   8.6063   82.646   17.911   57.789   9.8135  174.289   21.989  152.421   13.776 21.86847 25.94801 
1 1 1   12   26   21 o  137.223   16.281   52.364   9.1643   51.264   16.678   52.840   10.969  130.362   28.195  144.085   16.289 -13.72266 32.56178 
1 1 1   12   26   22 o   79.165   16.828   17.699   6.8957   23.094   10.020   12.846   9.5043   89.799   23.575   68.531   24.019 21.26830 33.65552 
1 1 1   12   26   23 o  128.290   17.509   46.766   10.045   50.960   15.345   43.622   13.287  132.460   25.715  124.120   23.771 8.340370 35.01880 
1 1 1   12   26   24 o  130.806   15.952   47.285   8.6871   48.432   15.668   46.775   10.438  126.653   27.276  134.958   16.550 -8.304657 31.90414 
1 1 1   12   26   25 o  104.299   11.754   20.878   4.7539   46.352   11.022   15.056   5.2692  132.870   17.749   75.728   15.412 57.14204 23.50703 
1 1 1   12   26   26 o   51.645   14.054   5.2474   3.8601   8.9967   9.2295   4.4525   4.2496   59.470   23.126   43.819   15.977 15.65037 28.10819 
1 1 1   12   26   27 o   93.568   13.011   22.086   5.6894   0.0000   0.0000   22.086   5.6894  ?   ?    93.568   13.011      ?      ? 
1 1 1   12   26   28 o  133.781   16.722   57.128   7.9909   43.639   16.757   61.099   9.0912  111.348   31.038  156.214   12.453 -44.86604 33.44328 
1 1 1   12   26   29 o   89.132   14.965   18.711   5.2734   32.683   11.644   15.106   5.9148  103.899   24.396   74.365   17.338 29.53431 29.92989 
1 1 1   12   26   30 o   59.192   16.121   8.7908   5.9350   11.824   10.618   7.4124   7.1577   64.226   24.852   54.158   20.542 10.06882 32.24226 
1 1 1   12   26   31 o   39.006   18.082  -3.2265   7.8516   0.0000   0.0000  -3.2265   7.8516  ?   ?    39.006   18.082      ?      ? 
1 1 1   12   26   32 o   93.694   14.890   24.975   5.6766   29.768   11.662   23.487   6.4984   93.200   25.863   94.188   14.763 -0.9878616 29.77950 
1 1 1   12   26   33 o  149.171   13.898   58.319   8.4643   80.147   17.471   51.624   9.6757  159.238   23.476  139.103   14.883 20.13530 27.79657 
1 1 1   12   26   34 o   46.567   13.920   3.4057   3.8107   8.5100   10.269   2.5905   4.1038   55.628   23.357   37.506   15.148 18.12196 27.83927 
1 1 1   12   26   35 o   50.921   13.038   7.7644   4.1238  -1.6081   10.283   9.5605   4.5016   44.088   20.524   57.754   16.083 -13.66576 26.07507 
1 1 1   12   26   36 o   90.587   13.602   24.837   5.2255   23.775   9.5723   25.288   6.2368   83.501   23.524   97.674   13.663 -14.17274 27.20376 
1 1 1   12   26   37 o  121.253   13.964   43.625   6.8449   46.110   12.785   42.627   8.1041  116.228   24.319  126.279   13.732 -10.05151 27.92797 
1 1 1   12   26   38 o   77.230   14.695   19.801   5.3903   19.955   8.2905   19.689   7.0945   75.727   22.072   78.733   19.405 -3.005569 29.38922 
1 1 1   12   27    0 o  174.296   13.039   76.454   14.636   76.454   14.636   76.454   14.636  174.296   18.440  174.296   18.440 -0.000000 0.000000 
1 1 1   12   27    1 o   61.294   11.454   10.293   3.4630   5.9116   5.6359   12.951   4.3894   50.956   18.427   71.633   13.609 -20.67680 22.90753 
1 1 1   12   27    2 o  103.089   14.127   28.066   5.5980   27.574   11.685   28.212   6.3776   98.629   25.244  107.549   12.688 -8.920303 28.25314 
1 1 1   12   27    3 o  285.927   19.762  222.540   22.697  249.041   45.650  213.837   26.159  283.817   34.416  288.037   19.432 -4.219727 39.52310 
1 1 1   12   27    4 o  169.139   15.985   77.207   10.153   74.389   20.729   78.096   11.646  160.179   28.747  178.098   13.992 -17.91974 31.97068 
1 1 1   12   27    5 o   88.614   14.744   21.827   5.7146   18.196   10.701   23.275   6.7589   80.360   25.430   96.868   14.930 -16.50784 29.48852 
1 1 1   12   27    6 o  177.551   17.453   79.919   14.482   0.0000   0.0000   79.919   14.482  ?   ?   177.551   17.453      ?      ? 
1 1 1   12   27    7 o  168.496   16.305   80.046   10.098   68.665   20.386   83.746   11.624  152.350   29.699  184.642   13.470 -32.29150 32.61098 
1 1 1   12   27    8 o   98.209   14.426   28.389   6.3020   16.586   10.381   35.277   7.9303   76.956   25.113  119.462   14.204 -42.50611 28.85186 
1 1 1   12   27    9 o   91.905   14.632   22.993   5.9883   21.149   10.272   23.942   7.3701   86.264   24.392   97.545   16.167 -11.28156 29.26366 
1 1 1   12   27   10 o  254.807   26.908  218.997   27.543  190.788   47.588  233.207   33.776  219.845   47.688  289.770   24.941 -69.92561 53.81661 
1 1 1   12   27   11 o  174.121   18.197   78.251   14.808   0.0000   0.0000   78.251   14.808  ?   ?   174.121   18.197      ?      ? 
1 1 1   12   27   12 o  215.473   22.255  145.922   19.549  127.349   33.569  155.453   24.048  190.422   39.032  240.525   21.393 -50.10236 44.51011 
1 1 1   12   27   13 o   97.156   15.525   27.692   6.8606   20.316   11.494   31.775   8.5510   82.627   26.377  111.685   16.382 -29.05844 31.05022 
1 1 1   12   27   14 o  125.680   14.433   40.610   8.2370   48.947   13.740   35.933   10.291  134.192   21.909  117.169   18.794 17.02287 28.86553 
1 1 1   12   27   15 o  119.448   14.624   36.459   7.7945   48.997   12.935   29.310   9.7670  135.565   20.416  103.331   20.942 32.23397 29.24710 
1 1 1   12   27   16 o  210.907   24.075  151.362   18.103  116.991   36.115  162.897   20.921  170.721   44.728  251.093   17.828 -80.37144 48.15003 
1 1 1   12   27   17 o   83.689   25.809   20.687   11.099   0.0000   0.0000   20.687   11.099  ?   ?    83.689   25.809      ?      ? 
1 1 1   12   27   18 o   73.940   14.471   14.066   4.8215   0.0000   0.0000   14.066   4.8215  ?   ?    73.940   14.471      ?      ? 
1 1 1   12   27   19 o   93.969   14.559   28.077   5.5178   16.377   11.699   31.424   6.2576   74.771   26.605  113.167   11.832 -38.39619 29.11756 
1 1 1   12   27   20 o   77.994   15.561   18.265   5.9217   13.449   10.711   20.385   7.1065   69.025   25.335   86.964   18.075 -17.93825 31.12228 
1 1 1   12   27   21 o   56.012   14.428   7.3729   4.7392   11.007   8.0117   5.4168   5.8779   63.032   22.054   48.992   18.607 14.03914 28.85501 
1 1 1   12   27   22 o  108.009   15.313   35.236   6.2670   29.635   13.206   36.864   7.1196   94.650   27.935  121.368   12.552 -26.71828 30.62548 
1 1 1   12   27   23 o   44.283   13.117   3.0935   4.0880  -0.0001   8.9907   3.8998   4.5900   45.786   20.479   42.780   16.396 3.005768 26.23391 
1 1 1   12   27   24 o  115.280   13.381   28.881   6.3818   64.547   12.412   16.063   7.4408  156.107   17.013   74.453   20.658 81.65392 26.76128 
1 1 1   12   27   25 f   81.458   14.102   17.218   4.9886   23.916   9.1927   14.422   5.9392   90.493   21.959   72.422   17.698 18.07079 28.20306 
1 1 1   12   27   26 o   71.081   13.012   9.7266   4.3356   27.117   8.7193   4.0144   4.9972   98.250   19.675   43.912   17.033 54.33746 26.02384 
1 1 1   12   27   27 o   58.245   13.247   10.578   4.4151  -1.0289   10.636   12.995   4.8530   47.187   21.570   69.303   15.385 -22.11539 26.49473 
1 1 1   12   27   28 o  115.428   14.133   33.642   6.1650   49.033   13.776   29.788   6.8938  123.775   24.681  107.080   13.775 16.69489 28.26527 
1 1 1   12   27   29 o   88.660   14.750   18.889   5.0511   35.427   11.601   15.020   5.6109  104.389   24.243   72.931   16.807 31.45750 29.49930 
1 1 1   12   27   30 o   97.773   15.018   26.938   5.7845   34.165   12.367   24.914   6.5446   98.657   26.331   96.890   14.453 1.767227 30.03683 
1 1 1   12   27   31 o   79.747   16.585   21.825   6.4901   20.651   11.700   22.347   7.8003   73.772   26.568   85.722   19.860 -11.94960 33.17057 
1 1 1   12   27   32 o   40.315   12.816   0.2975   5.0379  -3.1990   8.5028   2.1890   6.2539   39.402   18.448   41.228   17.794 -1.826488 25.63108 
1 1 1   12   27   33 o   60.156   18.329   10.901   5.6179   0.0000   0.0000   10.901   5.6179  ?   ?    60.156   18.329      ?      ? 
1 1 1   12   27   34 o   61.706   22.300   12.848   8.2520   0.0000   0.0000   12.848   8.2520  ?   ?    61.706   22.300      ?      ? 
1 1 1   12   27   35 o   41.215   17.458   3.1694   5.8190   0.0000   0.0000   3.1694   5.8190  ?   ?    41.215   17.458      ?      ? 
1 1 1   12   28    0 f  103.952   9.3529   27.137   6.1422   27.137   6.1422   27.137   6.1422  103.952   13.227  103.952   13.227 -0.000000 0.000000 
1 1 1   12   28    1 o   77.470   9.9452   15.261   3.4722   11.430   4.8183   19.399   5.0080   65.991   15.827   88.948   12.047 -22.95664 19.89043 
1 1 1   12   28    2 o  126.812   14.627   45.094   7.7001   37.830   13.171   48.866   9.4910  113.934   25.385  139.691   14.538 -25.75702 29.25362 
1 1 1   12   28    3 o  189.209   15.311   93.825   11.588  102.754   23.491   90.953   13.321  188.221   26.705  190.196   14.987 -1.974838 30.62246 
1 1 1   12   28    4 o   69.720   14.087   10.896   4.1115   18.854   9.1216   8.8669   4.6060   81.336   22.981   58.103   16.300 23.23340 28.17452 
1 1 1   12   28    5 o   75.840   13.752   17.422   5.6001   4.7004   9.8825   23.439   6.7966   55.126   23.013   96.553   15.062 -41.42639 27.50427 
1 1 1   12   28    6 o   61.579   13.940   7.9075   4.6516   17.190   8.0518   3.2575   5.6987   78.543   21.368   44.615   17.910 33.92805 27.88092 
1 1 1   12   28    7 o  142.239   12.105   47.279   7.1818   62.916   14.433   42.133   8.2796  154.137   20.035  130.340   13.592 23.79745 24.21060 
1 1 1   12   28    8 o   58.974   18.076   9.1762   5.4538   0.0000   0.0000   9.1762   5.4538  ?   ?    58.974   18.076      ?      ? 
1 1 1   12   28    9 o  219.887   15.583  122.138   16.013   0.0000   0.0000  122.138   16.013  ?   ?   219.887   15.583      ?      ? 
1 1 1   12   28   10 o   99.504   13.437   24.546   6.2485   0.0000   0.0000   24.546   6.2485  ?   ?    99.504   13.437      ?      ? 
1 1 1   12   28   11 o   85.023   13.216   19.702   4.7480   17.990   8.9610   20.370   5.5984   79.371   22.894   90.676   13.211 -11.30504 26.43184 
1 1 1   12   28   12 o   39.586   11.835   1.6476   3.3916  -0.5121   7.0792   2.2910   3.8639   41.682   18.435   37.490   14.847 4.192089 23.66985 
1 1 1   12   28   13 o   92.315   15.002   26.588   6.5109   14.293   11.259   32.766   7.9808   70.852   25.979  113.779   15.009 -42.92715 30.00308 
1 1 1   12   28   14 o   88.341   15.489   20.615   6.2410   30.576   10.553   15.256   7.7397  103.411   22.476   73.272   21.318 30.13918 30.97782 
1 1 1   12   28   15 o  181.452   20.739  108.503   15.075   83.822   25.791  121.312   18.579  149.809   37.045  213.095   18.656 -63.28560 41.47708 
1 1 1   12   28   16 o   59.672   14.825   9.8746   5.3085   5.5862   8.8595   12.277   6.6305   53.441   22.002   65.903   19.875 -12.46258 29.64982 
1 1 1   12   28   17 o   57.284   14.279   8.5602   5.3302   1.0156   8.5020   13.446   6.8417   46.108   20.307   68.461   20.079 -22.35333 28.55706 
1 1 1   12   28   18 o   65.074   13.700   8.6228   5.2192   23.383   8.5904  -0.0140   6.5711   89.915   20.848   40.234   17.779 49.68050 27.39984 
1 1 1   12   28   19 o   85.580   15.532   21.930   6.2101   19.865   9.9036   23.267   7.9722   80.067   24.322   91.092   19.325 -11.02541 31.06471 
1 1 1   12   28   20 o   66.438   14.939   13.308   5.4750   7.1539   9.8632   16.049   6.5821   57.005   23.313   75.870   18.686 -18.86485 29.87748 
1 1 1   12   28   21 o  230.759   26.966  197.367   26.043  209.909   45.113  191.097   31.895  214.848   46.294  246.669   27.667 -31.82043 53.93183 
1 1 1   12   28   22 o   65.542   15.783   11.962   5.4755   15.439   9.7745   10.371   6.6099   70.572   24.379   60.512   20.053 10.06029 31.56640 
1 1 1   12   28   23 o   68.583   15.491   14.217   5.3822   14.468   9.8313   14.110   6.4316   67.500   24.348   69.666   19.157 -2.165413 30.98147 
1 1 1   12   28   24 o   82.068   14.578   21.665   5.8711   14.555   9.8653   25.565   7.3058   66.736   24.342   97.401   16.049 -30.66540 29.15645 
1 1 1   12   28   25 f   94.186   18.172   30.107   8.3810   38.551   12.437   23.083   11.343  107.864   25.138   80.508   26.249 27.35619 36.34459 
1 1 1   12   28   26 o   44.388   13.556  -0.0526   5.5189   8.3790   8.2158  -6.9859   7.4502   54.772   21.663   34.004   16.304 20.76795 27.11288 
1 1 1   12   28   27 o   42.980   13.747   0.0198   5.7999   2.6321   9.1083  -1.7619   7.5221   46.970   20.835   38.990   17.940 7.979744 27.49411 
1 1 1   12   28   28 o   80.539   16.635   22.181   6.4311   22.249   12.041   22.155   7.6070   75.551   26.980   85.528   19.468 -9.976936 33.27017 
1 1 1   12   28   29 o   51.413   14.148   7.5130   5.0048   1.6019   10.035   9.4703   5.7743   46.696   21.192   56.130   18.748 -9.434128 28.29526 
1 1 1   12   28   30 o   49.502   18.690   6.8050   5.9083   0.0000   0.0000   6.8050   5.9083  ?   ?    49.502   18.690      ?      ? 
1 1 1   12   28   31 o   41.484   17.629   2.9441   5.9648   0.0000   0.0000   2.9441   5.9648  ?   ?    41.484   17.629      ?      ? 
1 1 1   12   28   32 o   47.724   18.779   6.4388   6.1445   0.0000   0.0000   6.4388   6.1445  ?   ?    47.724   18.779      ?      ? 
1 1 1   12   28   33 o   36.465   17.156  -2.8746   7.5078   0.0000   0.0000  -2.8746   7.5078  ?   ?    36.465   17.156      ?      ? 
1 1 1   12   29    0 o   59.463   12.865   10.708   4.4186   10.708   4.4186   10.708   4.4186   59.463   18.194   59.463   18.194 -0.000000 0.000000 
1 1 1   12   29    1 o  134.336   11.189   48.616   6.5797   37.370   10.402   56.117   8.4950  118.145   18.839  150.527   12.076 -32.38242 22.37720 
1 1 1   12   29    2 o  121.381   9.7347   36.984   5.3944   37.788   8.6107   36.465   6.9208  121.524   15.161  121.238   12.214 0.2864914 19.46940 
1 1 1   12   29    3 o   80.678   11.417   17.737   4.4361   6.3234   6.1518   30.102   6.4031   51.365   19.136  109.991   12.456 -58.62588 22.83302 
1 1 1   12   29    4 o   63.321   12.451   10.930   3.8411   9.4109   5.3644   12.529   5.5025   58.835   17.907   67.807   17.306 -8.971821 24.90253 
1 1 1   12   29    5 o   75.522   13.848   15.510   4.7439   14.123   5.8452   18.187   8.1200   71.844   17.557   79.199   21.421 -7.354866 27.69697 
1 1 1   12   29    6 o   75.550   14.156   14.405   4.8005   22.590   8.8172   10.956   5.7232   88.207   21.569   62.893   18.341 25.31396 28.31242 
1 1 1   12   29    7 o  101.079   13.997   29.935   5.4859   25.218   11.054   31.476   6.3190   89.718   25.280  112.440   12.025 -22.72189 27.99428 
1 1 1   12   29    8 o   57.620   13.477   8.6435   3.7709   9.6383   8.0066   8.3599   4.2746   59.473   21.893   55.767   15.723 3.706184 26.95402 
1 1 1   12   29    9 o   39.708   11.696   1.7102   3.3142   3.7354   6.1237   0.8713   3.9413   45.453   18.453   33.964   14.376 11.48912 23.39237 
1 1 1   12   29   10 f  101.938   18.573   28.714   8.5222   0.0000   0.0000   28.714   8.5222  ?   ?   101.938   18.573      ?      ? 
1 1 1   12   29   11 o   65.696   13.135   13.390   4.4457   5.8315   8.5991   16.147   5.1936   53.103   21.748   78.290   14.735 -25.18687 26.26992 
1 1 1   12   29   12 o  117.617   16.044   48.400   7.4352   24.807   14.479   56.850   8.6649   84.379   29.641  150.854   12.290 -66.47516 32.08829 
1 1 1   12   29   13 o   63.077   13.497   11.963   4.3921   5.7843   9.0250   13.881   5.0277   53.880   22.198   72.275   15.358 -18.39432 26.99306 
1 1 1   12   29   14 o  153.625   20.947   76.878   14.487   71.837   20.136   82.286   20.858  147.316   30.260  159.933   28.973 -12.61748 41.89386 
1 1 1   12   29   15 o   60.015   14.357   10.156   4.8727   7.3237   8.0015   11.826   6.1432   55.137   21.507   64.892   19.024 -9.754398 28.71386 
1 1 1   12   29   16 f   68.070   13.962   13.239   4.2984   12.545   9.1112   13.437   4.8750   65.193   23.449   70.947   15.163 -5.754662 27.92412 
1 1 1   12   29   17 o   63.000   16.169   10.913   4.7844   0.0000   0.0000   10.913   4.7844  ?   ?    63.000   16.169      ?      ? 
1 1 1   12   29   18 o   66.870   15.409   12.220   4.7167   0.0000   0.0000   12.220   4.7167  ?   ?    66.870   15.409      ?      ? 
1 1 1   12   29   19 o   46.164   12.307   5.4077   3.5071   0.5231   7.9176   6.6000   3.9117   43.074   19.245   49.255   15.344 -6.181747 24.61355 
1 1 1   12   29   20 o   50.012   13.306   6.6468   4.1620   4.7265   7.5335   7.4903   4.9932   48.213   20.107   51.811   17.434 -3.598171 26.61278 
1 1 1   12   29   21 o   51.744   13.124   7.4434   3.7820   5.7833   7.9970   7.9217   4.2924   50.291   20.824   53.196   15.979 -2.905098 26.24807 
1 1 1   12   29   22 o   80.076   15.228   19.646   5.5729   22.681   9.7536   18.176   6.7904   81.868   23.963   78.285   18.797 3.583725 30.45593 
1 1 1   12   29   23 o   53.887   14.040   5.6086   3.8217   15.882   8.9767   3.3344   4.2236   68.255   23.373   39.518   15.563 28.73689 28.08066 
1 1 1   12   29   24 o   65.821   15.608   13.384   5.2936   17.538   9.7652   11.655   6.2995   70.208   24.361   61.435   19.518 8.772480 31.21546 
1 1 1   12   29   25 o   57.787   13.603   5.6889   4.7733   21.354   8.5707  -1.3546   5.7471   80.741   22.078   34.834   15.897 45.90789 27.20608 
1 1 1   12   29   26 o   40.848   15.262   4.0946   3.9189   0.0000   0.0000   4.0946   3.9189  ?   ?    40.848   15.262      ?      ? 
1 1 1   12   29   27 f   39.226   15.675   3.2754   4.3432   0.0000   0.0000   3.2754   4.3432  ?   ?    39.226   15.675      ?      ? 
1 1 1   12   29   28 o   48.132   17.528   6.7257   5.1124   0.0000   0.0000   6.7257   5.1124  ?   ?    48.132   17.528      ?      ? 
1 1 1   12   30    0 o   74.723   14.920   16.798   6.3807   16.798   6.3807   16.798   6.3807   74.723   21.100   74.723   21.100 -0.000000 0.000000 
1 1 1   12   30    1 o   96.559   11.262   25.909   4.6295   18.984   7.2982   30.571   5.9885   82.071   19.344  111.046   11.539 -28.97471 22.52423 
1 1 1   12   30    2 o   40.813   10.874   3.0587   3.2507  -4.4470   6.0035   6.1720   3.8665   33.041   15.480   48.585   15.275 -15.54427 21.74707 
1 1 1   12   30    3 o   75.017   12.642   15.484   4.3883   12.972   6.0175   18.338   6.4134   68.058   18.454   81.975   17.285 -13.91703 25.28465 
1 1 1   12   30    4 o   80.738   12.664   18.553   4.4041   15.778   8.0724   19.729   5.2551   72.882   21.918   88.593   12.692 -15.71084 25.32796 
1 1 1   12   30    5 o   59.091   10.523   9.6395   3.3556   3.1255   5.1141   14.564   4.4467   42.040   16.935   76.142   12.496 -34.10155 21.04607 
1 1 1   12   30    6 o   47.807   11.465   5.4575   3.2162   2.5976   4.3967   8.7494   4.7171   39.080   15.716   56.534   16.698 -17.45356 22.93094 
1 1 1   12   30    7 o   88.854   13.550   21.752   4.8868   23.252   9.8390   21.261   5.6303   86.304   23.679   91.404   13.180 -5.099167 27.10008 
1 1 1   12   30    8 o   32.587   10.664  -2.0075   3.1354  -1.1042   6.7153  -2.2593   3.5456   38.743   17.483   26.431   12.217 12.31198 21.32822 
1 1 1   12   30    9 o   58.715   13.680   8.8851   3.8922   12.657   7.8769   7.6667   4.4769   64.574   21.896   52.856   16.407 11.71767 27.36082 
1 1 1   12   30   10 o   67.432   14.680   13.384   4.9171   15.348   8.3130   12.328   6.0982   69.896   22.444   64.967   18.928 4.929657 29.36048 
1 1 1   12   30   11 o   91.589   14.110   24.542   5.2996   24.575   10.496   24.531   6.1397   85.849   24.782   97.329   13.498 -11.47958 28.21906 
1 1 1   12   30   12 o  102.079   15.275   32.080   6.8508   29.902   11.629   33.237   8.4780   93.606   25.769  110.552   16.409 -16.94617 30.54984 
1 1 1   12   30   13 o  105.005   14.996   33.077   6.8783   33.569   11.666   32.815   8.5157  100.525   24.950  109.484   16.643 -8.959549 29.99128 
1 1 1   12   30   14 o   62.074   14.553   11.142   4.8957   15.653   7.8152   8.2288   6.2807   70.344   21.651   53.804   19.453 16.54039 29.10662 
1 1 1   12   30   15 o  122.321   16.450   50.956   8.4245   36.076   14.347   58.785   10.408   96.487   29.267  148.155   15.031 -51.66791 32.90095 
1 1 1   12   30   16 o   75.636   14.087   15.804   4.4682   21.479   9.2829   14.093   5.0975   80.286   23.343   70.987   15.775 9.299339 28.17312 
1 1 1   12   30   17 o   59.344   14.063   9.2725   4.0544   15.017   8.3700   7.5115   4.6345   67.256   22.572   51.431   16.779 15.82587 28.12529 
1 1 1   12   30   18 o   79.045   14.394   18.238   4.8268   22.517   9.7115   16.834   5.5625   80.732   23.987   77.359   15.917 3.372665 28.78753 
1 1 1   12   30   19 o   63.115   13.858   12.276   4.2166   11.804   8.8393   12.415   4.7977   60.032   22.814   66.199   15.738 -6.166752 27.71550 
1 1 1   12   30   20 o  124.604   11.814   38.469   6.0655   55.874   12.537   33.150   6.9306  136.922   19.592  112.287   13.207 24.63529 23.62759 
1 1 1   12   30   21 o   36.288   16.290  -0.2544   5.7436   0.0000   0.0000  -0.2544   5.7436  ?   ?    36.288   16.290      ?      ? 
1 1 1   12   30   22 o   74.921   17.808   16.695   6.1438   0.0000   0.0000   16.695   6.1438  ?   ?    74.921   17.808      ?      ? 
1 1 1   12   30   23 o   67.145   15.452   12.913   4.7483   0.0000   0.0000   12.913   4.7483  ?   ?    67.145   15.452      ?      ? 
1 1 1   12   30   24 o   27.894   13.883 -13.5098   7.1360   0.0000   0.0000 -13.5098   7.1360  ?   ?    27.894   13.883      ?      ? 
1 1 1   12   30   25 o   63.476   20.794   13.845   7.1151   0.0000   0.0000   13.845   7.1151  ?   ?    63.476   20.794      ?      ? 
1 1 1   12   31    0 o   64.817   14.876   13.593   5.6364   13.593   5.6364   13.593   5.6364   64.817   21.038   64.817   21.038 -0.000000 0.000000 
1 1 1   12   31    1 o   61.035   12.220   10.790   3.6480   10.217   5.1815   11.353   5.1370   59.306   17.496   62.763   17.064 -3.457035 24.43970 
1 1 1   12   31    2 o   37.806   10.108   1.4137   2.7897   6.7313   4.2521  -2.6048   3.6964   49.313   16.071   26.300   12.264 23.01368 20.21592 
1 1 1   12   31    3 o   89.448   11.258   23.069   4.3466   17.387   6.8422   26.913   5.6281   76.141   19.225  102.755   11.720 -26.61422 22.51527 
1 1 1   12   31    4 o   45.748   15.703   5.6072   4.0521   0.0000   0.0000   5.6072   4.0521  ?   ?    45.748   15.703      ?      ? 
1 1 1   12   31    5 o   97.715   14.254   29.085   5.5094   27.609   11.145   29.563   6.3379   88.565   25.528  106.864   12.690 -18.29887 28.50805 
1 1 1   12   31    6 o  136.029   14.301   52.238   7.6996   61.281   15.243   49.140   8.9214  135.808   24.935  136.251   14.010 -0.4436340 28.60167 
1 1 1   12   31    7 o   82.438   13.796   22.437   5.4103   14.276   9.2993   26.613   6.6520   64.881   23.638   99.995   14.234 -35.11421 27.59281 
1 1 1   12   31    8 o   80.461   13.217   19.508   4.4850   18.216   8.9026   19.948   5.1921   73.293   23.194   87.629   12.678 -14.33620 26.43312 
1 1 1   12   31    9 o  108.412   15.568   40.284   6.6107   30.636   13.351   43.417   7.6089   87.532   28.475  129.292   12.592 -41.76068 31.13546 
1 1 1   12   31   10 o  152.211   17.453   65.833   12.415   0.0000   0.0000   65.833   12.415  ?   ?   152.211   17.453      ?      ? 
1 1 1   12   31   11 o   63.211   13.334   11.857   4.0093   12.935   7.4308   11.415   4.7619   63.263   21.268   63.159   16.088 0.1041145 26.66725 
1 1 1   12   31   12 o  104.240   12.756   28.355   6.2142   0.0000   0.0000   28.355   6.2142  ?   ?   104.240   12.756      ?      ? 
1 1 1   12   31   13 o   83.184   13.749   19.790   4.6783   23.410   9.7454   18.706   5.3330   82.283   23.915   84.085   13.571 -1.802345 27.49762 
1 1 1   12   31   14 o   49.377   18.309   6.7971   5.6183   0.0000   0.0000   6.7971   5.6183  ?   ?    49.377   18.309      ?      ? 
1 1 1   12   31   15 o  119.250   12.835   37.277   7.1531   0.0000   0.0000   37.277   7.1531  ?   ?   119.250   12.835      ?      ? 
1 1 1   12   31   16 o   33.198   14.132   1.1393   3.8451   0.0000   0.0000   1.1393   3.8451  ?   ?    33.198   14.132      ?      ? 
1 1 1   12   31   17 o   49.001   19.796   6.5679   7.0096   0.0000   0.0000   6.5679   7.0096  ?   ?    49.001   19.796      ?      ? 
1 1 1   12   31   18 o   40.080   18.473  -0.5473   8.0224   0.0000   0.0000  -0.5473   8.0224  ?   ?    40.080   18.473      ?      ? 
1 1 1   12   31   19 o   53.046   19.727   9.0098   6.5322   0.0000   0.0000   9.0098   6.5322  ?   ?    53.046   19.727      ?      ? 
1 1 1   12   31   20 o   51.240   18.969   8.1927   6.0257   0.0000   0.0000   8.1927   6.0257  ?   ?    51.240   18.969      ?      ? 
1 1 1   12   32    0 o  119.520   20.370   46.529   13.952   46.529   13.952   46.529   13.952  119.520   28.808  119.520   28.808 -0.000000 0.000000 
1 1 1   12   32    1 o   48.091   18.999   6.1253   6.3132   0.0000   0.0000   6.1253   6.3132  ?   ?    48.091   18.999      ?      ? 
1 1 1   12   32    3 o   40.088   17.343   2.0392   5.9696   0.0000   0.0000   2.0392   5.9696  ?   ?    40.088   17.343      ?      ? 
1 1 1   12   32    4 o   51.335   17.302   7.7235   4.9180   0.0000   0.0000   7.7235   4.9180  ?   ?    51.335   17.302      ?      ? 
1 1 1   12   32    5 o   63.409   13.928   12.345   4.3982   14.816   7.4918   11.045   5.4329   66.594   21.299   60.225   17.952 6.368343 27.85528 
1 1 1   12   32    6 o   48.655   12.576   5.2946   4.4450   12.247   6.1233  -2.4503   6.4627   62.297   19.163   35.012   16.290 27.28423 25.15127 
1 1 1   12   32    7 o   51.802   16.878   7.9504   4.6898   0.0000   0.0000   7.9504   4.6898  ?   ?    51.802   16.878      ?      ? 
1 1 1   12   32    8 o   61.628   13.262   12.534   4.3510   8.8190   7.2173   14.656   5.4534   53.029   20.498   70.227   16.835 -17.19796 26.52459 
1 1 1   12   32    9 o   48.578   13.490   6.6258   4.7493   9.5001   6.1059   2.2231   7.5568   54.657   19.245   42.500   18.909 12.15768 26.97977 
1 1 1   12   32   10 o   25.810   12.618  -7.3443   5.0511   0.0000   0.0000  -7.3443   5.0511  ?   ?    25.810   12.618      ?      ? 
1 1 1   12   32   11 o   58.144   21.537   11.792   7.7700   0.0000   0.0000   11.792   7.7700  ?   ?    58.144   21.537      ?      ? 
1 1 1   12   32   12 o   33.101   15.279  -1.6169   5.5190   0.0000   0.0000  -1.6169   5.5190  ?   ?    33.101   15.279      ?      ? 
1 1 1   13    0    1 o  499.514   19.184  594.127   62.908  594.127   62.908  594.127   62.908  499.514   27.130  499.514   27.130 -0.000000 0.000000 
1 1 1   13    0    2 o  797.179   30.596  1536.57  160.117  1536.57  160.117  1536.57  160.117  797.179   43.269  797.179   43.269 -0.000000 0.000000 
1 1 1   13    0    3 o  147.430   7.5575   51.667   7.2752   51.667   7.2752   51.667   7.2752  147.430   10.688  147.430   10.688 -0.000000 0.000000 
1 1 1   13    0    4 o  280.619   11.505  186.538   21.174  186.538   21.174  186.538   21.174  280.619   16.270  280.619   16.270 -0.000000 0.000000 
1 1 1   13    0    5 o  713.620   27.337  1225.15  128.073  1225.15  128.073  1225.15  128.073  713.620   38.661  713.620   38.661 -0.000000 0.000000 
1 1 1   13    0    6 f  595.769   22.979  848.876   89.869  848.876   89.869  848.876   89.869  595.769   32.498  595.769   32.498 -0.000000 0.000000 
1 1 1   13    0    7 o  697.528   31.451  1181.26  143.643  1181.26  143.643  1181.26  143.643  697.528   44.478  697.528   44.478 -0.000000 0.000000 
1 1 1   13    0    8 o  103.016   8.4808   25.837   5.5700   25.837   5.5700   25.837   5.5700  103.016   11.994  103.016   11.994 -0.000000 0.000000 
1 1 1   13    0    9 o  202.948   10.373   98.031   13.747   98.031   13.747   98.031   13.747  202.948   14.670  202.948   14.670 -0.000000 0.000000 
1 1 1   13    0   10 o  289.188   13.519  198.999   25.580  198.999   25.580  198.999   25.580  289.188   19.119  289.188   19.119 -0.000000 0.000000 
1 1 1   13    0   11 o  311.524   14.479  231.175   29.515  231.175   29.515  231.175   29.515  311.524   20.476  311.524   20.476 -0.000000 0.000000 
1 1 1   13    0   12 o  450.074   19.714  485.235   58.128  485.235   58.128  485.235   58.128  450.074   27.880  450.074   27.880 -0.000000 0.000000 
1 1 1   13    0   13 o  483.337   20.927  561.490   66.277  561.490   66.277  561.490   66.277  483.337   29.595  483.337   29.595 -0.000000 0.000000 
1 1 1   13    0   14 o  220.350   14.467  117.374   20.651  117.374   20.651  117.374   20.651  220.350   20.459  220.350   20.459 -0.000000 0.000000 
1 1 1   13    0   15 o  324.081   17.716  253.291   37.426  253.291   37.426  253.291   37.426  324.081   25.055  324.081   25.055 -0.000000 0.000000 
1 1 1   13    0   16 o  222.848   20.720  124.088   29.054  124.088   29.054  124.088   29.054  222.848   29.302  222.848   29.302 -0.000000 0.000000 
1 1 1   13    0   17 o  194.353   11.718   90.749   14.801   90.749   14.801   90.749   14.801  194.353   16.572  194.353   16.572 -0.000000 0.000000 
1 1 1   13    0   18 o   87.670   11.571   19.825   6.0199   19.825   6.0199   19.825   6.0199   87.670   16.365   87.670   16.365 -0.000000 0.000000 
1 1 1   13    0   19 o  115.014   8.9864   32.146   6.6182   32.146   6.6182   32.146   6.6182  115.014   12.709  115.014   12.709 -0.000000 0.000000 
1 1 1   13    0   20 o  192.716   11.057   89.023   13.871   89.023   13.871   89.023   13.871  192.716   15.638  192.716   15.638 -0.000000 0.000000 
1 1 1   13    0   21 o   44.499   12.784   6.4864   3.6870   6.4864   3.6870   6.4864   3.6870   44.499   18.079   44.499   18.079 -0.000000 0.000000 
1 1 1   13    0   22 o  145.482   8.2111   50.582   7.7796   50.582   7.7796   50.582   7.7796  145.482   11.612  145.482   11.612 -0.000000 0.000000 
1 1 1   13    0   23 o  532.127   23.825  692.230   83.024  692.230   83.024  692.230   83.024  532.127   33.694  532.127   33.694 -0.000000 0.000000 
1 1 1   13    0   24 o  202.510   10.635   98.120   14.055   98.120   14.055   98.120   14.055  202.510   15.041  202.510   15.041 -0.000000 0.000000 
1 1 1   13    0   25 o  102.973   8.8359   25.985   5.7778   25.985   5.7778   25.985   5.7778  102.973   12.496  102.973   12.496 -0.000000 0.000000 
1 1 1   13    0   26 o   62.282   12.241   11.003   4.3590   11.003   4.3590   11.003   4.3590   62.282   17.312   62.282   17.312 -0.000000 0.000000 
1 1 1   13    0   27 o  291.756   17.526  207.840   33.234  207.840   33.234  207.840   33.234  291.756   24.785  291.756   24.785 -0.000000 0.000000 
1 1 1   13    0   28 o   50.094   16.002   8.6399   5.6952   8.6399   5.6952   8.6399   5.6952   50.094   22.630   50.094   22.630 -0.000000 0.000000 
1 1 1   13    0   29 o  267.358   16.228  174.413   28.190  174.413   28.190  174.413   28.190  267.358   22.950  267.358   22.950 -0.000000 0.000000 
1 1 1   13    0   30 o  182.178   12.820   80.950   15.085   80.950   15.085   80.950   15.085  182.178   18.130  182.178   18.130 -0.000000 0.000000 
1 1 1   13    0   31 o  309.344   17.582  234.458   35.413  234.458   35.413  234.458   35.413  309.344   24.865  309.344   24.865 -0.000000 0.000000 
1 1 1   13    0   32 o   43.137   15.737   6.5345   5.7528   6.5345   5.7528   6.5345   5.7528   43.137   22.255   43.137   22.255 -0.000000 0.000000 
1 1 1   13    0   33 o  131.199   19.295   46.435   14.755   46.435   14.755   46.435   14.755  131.199   27.287  131.199   27.287 -0.000000 0.000000 
1 1 1   13    0   35 o  184.591   20.091   88.345   22.784   88.345   22.784   88.345   22.784  184.591   28.413  184.591   28.413 -0.000000 0.000000 
1 1 1   13    0   36 o  231.372   14.871  131.380   22.309  131.380   22.309  131.380   22.309  231.372   21.031  231.372   21.031 -0.000000 0.000000 
1 1 1   13    0   37 o  294.395   18.077  215.720   34.564  215.720   34.564  215.720   34.564  294.395   25.565  294.395   25.565 -0.000000 0.000000 
1 1 1   13    0   38 o  120.712   12.691   36.953   9.4666   36.953   9.4666   36.953   9.4666  120.712   17.948  120.712   17.948 -0.000000 0.000000 
1 1 1   13    0   39 o  277.526   16.443  190.844   29.674  190.844   29.674  190.844   29.674  277.526   23.254  277.526   23.254 -0.000000 0.000000 
1 1 1   13    0   40 o   60.526   20.787   13.338   9.7437   13.338   9.7437   13.338   9.7437   60.526   29.398   60.526   29.398 -0.000000 0.000000 
1 1 1   13    0   41 o  204.049   21.528  109.419   27.130  109.419   27.130  109.419   27.130  204.049   30.445  204.049   30.445 -0.000000 0.000000 
1 1 1   13    0   42 o   23.012   11.586 -10.5602   7.6937 -10.5602   7.6937 -10.5602   7.6937   23.012   16.385   23.012   16.385 -0.000000 0.000000 
1 1 1   13    0   44 o   27.702   13.572  -6.5986   8.5763  -6.5986   8.5763  -6.5986   8.5763   27.702   19.194   27.702   19.194 -0.000000 0.000000 
1 1 1   13    0   45 o   42.277   19.514  -0.0000   13.347  -0.0000   13.347  -0.0000   13.347   42.277   27.598   42.277   27.598 -0.000000 0.000000 
1 1 1   13    0   46 o   82.659   26.804   25.909   16.005   25.909   16.005   25.909   16.005   82.659   37.906   82.659   37.906 -0.000000 0.000000 
1 1 1   13    0   47 o  230.734   11.687  129.812   17.612  129.812   17.612  129.812   17.612  230.734   16.528  230.734   16.528 -0.000000 0.000000 
1 1 1   13    0   48 o   42.377   16.631   6.2743   6.8636   6.2743   6.8636   6.2743   6.8636   42.377   23.519   42.377   23.519 -0.000000 0.000000 
1 1 1   13    0   49 o   43.772   17.344   6.7143   7.5476   6.7143   7.5476   6.7143   7.5476   43.772   24.528   43.772   24.528 -0.000000 0.000000 
1 1 1   13    0   50 o  138.850   13.299   49.294   11.574   49.294   11.574   49.294   11.574  138.850   18.808  138.850   18.808 -0.000000 0.000000 
1 1 1   13    0   51 o  122.218   24.447   46.503   17.102   46.503   17.102   46.503   17.102  122.218   34.573  122.218   34.573 -0.000000 0.000000 
1 1 1   13    0   52 o   87.824   17.886   23.242   9.0045   23.242   9.0045   23.242   9.0045   87.824   25.295   87.824   25.295 -0.000000 0.000000 
1 1 1   13    0   53 o   53.247   21.511   11.019   11.914   11.019   11.914   11.019   11.914   53.247   30.421   53.247   30.421 -0.000000 0.000000 
1 1 1   13    0   54 o   30.637   14.355  -1.0061   7.6488  -1.0061   7.6488  -1.0061   7.6488   30.637   20.300   30.637   20.300 -0.000000 0.000000 
1 1 1   13    0   55 o   33.207   14.298   2.9520   5.8938   2.9520   5.8938   2.9520   5.8938   33.207   20.220   33.207   20.220 -0.000000 0.000000 
1 1 1   13    0   56 o   41.725   16.116   6.6785   6.3295   6.6785   6.3295   6.6785   6.3295   41.725   22.791   41.725   22.791 -0.000000 0.000000 
1 1 1   13    0   57 o   58.680   19.445   13.464   8.4450   13.464   8.4450   13.464   8.4450   58.680   27.499   58.680   27.499 -0.000000 0.000000 
1 1 1   13    0   58 o   47.080   18.247   9.1170   8.1465   9.1170   8.1465   9.1170   8.1465   47.080   25.805   47.080   25.805 -0.000000 0.000000 
1 1 1   13    0   59 o   26.311   12.634  -2.1884   6.6278  -2.1884   6.6278  -2.1884   6.6278   26.311   17.868   26.311   17.868 -0.000000 0.000000 
1 1 1   13    0   60 o   92.810   17.938   27.509   9.5129   27.509   9.5129   27.509   9.5129   92.810   25.368   92.810   25.368 -0.000000 0.000000 
1 1 1   13    0   61 o   20.891   10.540  -8.0512   6.4940  -8.0512   6.4940  -8.0512   6.4940   20.891   14.905   20.891   14.905 -0.000000 0.000000 
1 1 1   13    0   62 o   56.448   18.580   13.541   7.7029   13.541   7.7029   13.541   7.7029   56.448   26.277   56.448   26.277 -0.000000 0.000000 
1 1 1   13    1    0 o  337.751   13.298  270.343   29.475  270.343   29.475  270.343   29.475  337.751   18.807  337.751   18.807 -0.000000 0.000000 
1 1 1   13    1    1 o  178.189   8.0770   74.473   6.7252   76.047   9.5188   72.903   9.5030  180.076   11.311  176.302   11.533 3.774429 16.15392 
1 1 1   13    1    2 o  389.757   15.034  359.493   27.385  357.005   38.728  361.981   38.729  388.391   21.336  391.122   21.188 -2.731445 30.06880 
1 1 1   13    1    3 o  309.204   13.142  225.105   18.814  222.140   24.890  229.059   28.738  307.026   17.346  311.383   19.748 -4.357819 26.28440 
1 1 1   13    1    4 o  347.429   14.656  285.439   23.548  285.214   31.138  285.739   35.991  347.570   19.169  347.289   22.175 0.2818604 29.31160 
1 1 1   13    1    5 o  367.970   17.326  319.622   28.145  315.325   34.454  328.244   48.798  365.259   20.183  370.682   28.168 -5.423767 34.65286 
1 1 1   13    1    6 o  240.047   11.428  135.682   12.812  129.935   18.106  141.446   18.132  234.917   16.491  245.176   15.824 -10.25842 22.85547 
1 1 1   13    1    7 o  555.545   24.573  746.062   63.675  693.868   90.035  798.290   90.065  535.439   35.980  575.651   33.478 -40.21265 49.14572 
1 1 1   13    1    8 o  259.681   12.012  158.836   14.578  159.033   20.596  158.638   20.637  259.846   16.960  259.515   17.016 0.3302002 24.02438 
1 1 1   13    1    9 o  192.643   9.1264   87.082   8.1307   87.456   12.441   86.803   10.742  192.939   13.797  192.347   11.950 0.5926361 18.25274 
1 1 1   13    1   10 o  179.203   8.5095   75.162   7.0287   76.586   10.927   74.156   9.1798  180.587   12.947  177.819   11.046 2.768463 17.01894 
1 1 1   13    1   11 o  180.942   11.763   77.256   9.9374   74.940   14.228   79.463   13.886  178.248   17.079  183.635   16.180 -5.387375 23.52621 
1 1 1   13    1   12 o  201.866   11.523   96.540   10.617   94.233   16.827   98.066   13.685  199.637   18.035  204.095   14.347 -4.458099 23.04563 
1 1 1   13    1   13 o  344.570   24.691  305.137   33.254  263.771   66.472  318.946   38.405  323.445   43.974  365.695   22.471 -42.25031 49.38258 
1 1 1   13    1   14 o  424.850   30.039  465.023   50.413  434.989  100.902  475.015   58.197  406.588   53.101  443.112   28.102 -36.52408 60.07899 
1 1 1   13    1   15 o  250.360   30.578  152.872   35.778  152.872   35.778   0.0000   0.0000  250.360   30.578  ?   ?       ?      ? 
1 1 1   13    1   16 o  203.066   18.698   97.975   17.745   97.975   17.745   0.0000   0.0000  203.066   18.698  ?   ?       ?      ? 
1 1 1   13    1   17 o  191.477   25.402   88.376   22.731   88.376   22.731   0.0000   0.0000  191.477   25.402  ?   ?       ?      ? 
1 1 1   13    1   18 o  500.323   37.221  670.260   73.453  647.167  146.963  677.950   84.805  477.394   65.870  523.252   34.679 -45.85831 74.44141 
1 1 1   13    1   19 o  242.087   13.966  141.199   15.359  132.512   24.356  146.934   19.791  235.232   22.155  248.943   17.011 -13.71150 27.93214 
1 1 1   13    1   20 o  186.808   10.553   81.861   9.0435   85.745   14.365   79.311   11.640  190.267   16.155  183.350   13.584 6.917053 21.10672 
1 1 1   13    1   21 o   23.323   7.9657  -4.1955   2.2287  -6.5344   4.5113  -3.4403   2.5633   26.351   12.649   20.295   9.6858 6.055822 15.93136 
1 1 1   13    1   22 o   53.678   11.892   6.6050   3.2105   7.4990   5.4005   6.1164   3.9925   56.650   18.080   50.706   15.452 5.943329 23.78308 
1 1 1   13    1   23 o  280.125   13.042  187.244   17.071  183.110   24.139  191.380   24.145  276.967   18.649  283.283   18.237 -6.315765 26.08426 
1 1 1   13    1   24 o  369.891   16.452  331.500   28.435  338.700   40.207  324.294   40.221  374.060   22.999  365.722   23.532 8.337769 32.90468 
1 1 1   13    1   25 o  147.362   8.7545   51.302   6.0259   48.972   8.4370   53.728   8.6095  143.927   12.543  150.798   12.216 -6.871521 17.50897 
1 1 1   13    1   26 o  304.974   13.712  223.724   19.543  226.524   27.632  220.921   27.644  306.942   19.262  303.007   19.521 3.935333 27.42483 
1 1 1   13    1   27 o  294.094   14.363  207.909   19.352  212.700   30.669  204.739   24.946  296.012   22.169  292.176   18.269 3.836029 28.72648 
1 1 1   13    1   28 o  146.757   11.269   51.384   7.7262   49.770   10.902   53.013   10.951  144.400   16.155  149.114   15.714 -4.714554 22.53704 
1 1 1   13    1   29 o  228.727   14.128  126.670   15.075  118.321   21.338  134.991   21.300  220.922   20.667  236.531   19.269 -15.60910 28.25624 
1 1 1   13    1   30 o   57.575   13.052   7.8350   3.9836   7.1692   5.6173   8.5087   5.6503   55.727   18.487   59.423   18.430 -3.695835 26.10397 
1 1 1   13    1   31 o  248.438   15.121  150.743   17.543  144.007   24.785  157.506   24.835  242.636   21.857  254.240   20.901 -11.60350 30.24212 
1 1 1   13    1   32 o  183.345   14.864   79.829   12.135   90.528   21.074   74.521   14.842  191.180   23.586  175.510   18.095 15.66983 29.72747 
1 1 1   13    1   33 o  217.037   28.847  120.907   29.261  120.907   29.261   0.0000   0.0000  217.037   28.847  ?   ?       ?      ? 
1 1 1   13    1   35 o  145.689   16.411   52.735   11.173   52.298   15.869   53.164   15.733  145.014   23.415  146.364   23.000 -1.350021 32.82180 
1 1 1   13    1   36 f  128.810   15.470   44.357   8.2654   34.018   14.115   49.752   10.196  113.699   26.971  143.921   15.159 -30.22252 30.93925 
1 1 1   13    1   37 o  230.271   17.683  132.219   18.017  127.524   22.060  141.623   31.222  227.024   20.792  233.518   28.608 -6.494003 35.36592 
1 1 1   13    1   38 o  192.288   15.258   91.058   12.990   88.136   15.919   96.884   22.475  189.671   17.958  194.905   24.674 -5.234375 30.51698 
1 1 1   13    1   39 o  224.088   17.662  124.783   17.597  117.002   21.537  140.411   30.522  216.506   21.285  231.670   28.190 -15.16380 35.32335 
1 1 1   13    1   40 o   77.217   24.209   15.250   9.7200   0.0000   0.0000   15.250   9.7200  ?   ?    77.217   24.209      ?      ? 
1 1 1   13    1   41 o  195.894   16.494   97.029   14.158   97.397   17.343   96.292   24.511  199.096   18.639  192.692   27.218 6.403763 32.98862 
1 1 1   13    1   42 o   66.638   16.238   10.902   5.9186   4.1710   12.451   12.866   6.7272   62.193   25.886   71.082   19.611 -8.888844 32.47644 
1 1 1   13    1   43 o  121.677   15.816   35.355   7.8294   44.447   15.547   32.266   9.0624  128.579   26.743  114.775   16.895 13.80476 31.63270 
1 1 1   13    1   44 o  120.709   25.409   39.031   13.881   0.0000   0.0000   39.031   13.881  ?   ?   120.709   25.409      ?      ? 
1 1 1   13    1   45 o   55.651   15.976   4.2756   6.5153   2.8931   9.3840   5.5622   9.0531   53.899   22.457   57.404   22.728 -3.505512 31.95131 
1 1 1   13    1   46 o   65.849   15.973   9.8278   6.6574   16.796   8.7847   0.4262   10.204   79.605   22.574   52.093   22.606 27.51179 31.94671 
1 1 1   13    1   47 o  141.907   18.420   67.262   9.7585   79.352   11.298   31.757   19.362  180.890   13.365  102.923   34.331 77.96748 36.84056 
1 1 1   13    1   48 o   98.008   14.954   25.353   6.6351   24.251   9.0412   26.640   9.7678   95.832   20.785  100.184   21.505 -4.352432 29.90812 
1 1 1   13    1   49 o  235.256   18.418  141.058   19.173  122.812   23.119  181.247   34.311  216.143   22.887  254.369   28.862 -38.22597 36.83526 
1 1 1   13    1   50 o   60.206   17.912   3.4163   7.8584   0.3794   9.3086   10.949   14.661   49.266   21.483   71.146   28.668 -21.87966 35.82441 
1 1 1   13    1   51 o   98.923   15.323   20.575   6.1266   42.083   13.100   14.554   6.9313  124.034   23.459   73.811   19.719 50.22363 30.64547 
1 1 1   13    1   52 o   80.324   13.496   17.322   5.0296   20.432   7.1120   14.210   7.1137   88.188   17.868   72.459   20.232 15.72832 26.99277 
1 1 1   13    1   53 o  164.036   13.917   71.534   10.546   81.752   14.812   61.031   15.018  177.696   17.836  150.376   21.370 27.32008 27.83492 
1 1 1   13    1   54 o   69.804   14.378   13.802   5.2915   17.911   6.8606   7.7684   8.3136   81.726   18.405   57.882   22.094 23.84358 28.75562 
1 1 1   13    1   55 o   89.767   13.956   23.574   5.7778   28.990   7.4303   15.290   9.1889  106.958   14.865   72.576   23.624 34.38163 27.91148 
1 1 1   13    1   56 o   59.669   13.946   9.8997   4.6262   7.3495   6.6865   12.241   6.4072   53.713   19.962   65.626   19.480 -11.91341 27.89208 
1 1 1   13    1   57 o   34.069   11.063  -3.2158   4.0484  -0.6841   5.9187  -5.4417   5.5497   37.634   16.740   30.504   14.470 7.129993 22.12699 
1 1 1   13    1   58 o   44.627   12.710   3.2850   4.2534   6.8192   6.0719  -0.1203   5.9601   51.241   19.027   38.014   16.858 13.22678 25.42100 
1 1 1   13    1   59 o   45.969   13.546   3.7393   4.7839   2.0292   6.2535   6.1522   7.4282   41.535   17.860   50.402   20.372 -8.866177 27.09247 
1 1 1   13    1   60 o   35.996   11.578  -2.5872   4.5914   2.3666   5.9746  -9.7326   7.1756   41.063   17.551   30.930   15.103 10.13269 23.15505 
1 1 1   13    1   61 o   58.688   14.495   9.2996   4.9331   17.074   8.2443   4.9638   6.1569   71.464   22.278   45.912   18.551 25.55202 28.99020 
1 1 1   13    1   62 o   40.134   12.711  -0.9362   5.5916 -15.7864   10.123   5.5841   6.7078   33.613   16.697   46.655   19.169 -13.04173 25.42131 
1 1 1   13    2    0 o  836.153   31.359  1692.18  172.191  1692.18  172.191  1692.18  172.191  836.153   44.349  836.153   44.349 -0.000000 0.000000 
1 1 1   13    2    1 o  590.917   26.174  847.686   72.247  818.033  102.163  877.351  102.184  580.180   37.678  601.654   36.341 -21.47449 52.34754 
1 1 1   13    2    2 o  251.982   11.038  148.950   12.878  146.264   17.015  152.553   19.703  249.438   14.595  254.526   16.564 -5.087753 22.07701 
1 1 1   13    2    3 o  185.597   10.951   81.753   9.2446   84.376   11.897   77.758   14.686  189.541   13.431  181.653   17.299 7.887161 21.90103 
1 1 1   13    2    4 o  666.206   29.853  1089.00   92.947  1095.83  131.445  1082.17  131.448  668.401   42.079  664.012   42.358 4.389160 59.70612 
1 1 1   13    2    5 o  497.387   20.353  591.691   46.804  589.679   71.496  593.199   61.915  495.810   30.855  498.964   26.551 -3.153442 40.70610 
1 1 1   13    2    6 o  944.628   40.655  2269.98  177.708  2314.85  271.461  2236.33  235.080  947.356   61.313  941.900   53.403 5.455688 81.30919 
1 1 1   13    2    7 o  533.193   20.003  679.018   49.844  681.007   70.494  677.028   70.487  533.990   28.247  532.395   28.329 1.595459 40.00544 
1 1 1   13    2    8 o  353.136   13.798  294.519   22.773  295.470   32.210  293.568   32.201  353.712   19.485  352.560   19.543 1.151428 27.59674 
1 1 1   13    2    9 o  349.650   13.542  288.816   22.117  299.498   31.284  278.143   31.272  356.184   18.793  343.116   19.502 13.06729 27.08341 
1 1 1   13    2   10 o  690.737   26.775  1164.56   86.433  1171.06  122.239  1158.06  122.230  692.750   37.756  688.725   37.974 4.024719 53.54989 
1 1 1   13    2   11 o  647.878   29.066  1037.86   88.008  1035.94  124.451  1039.78  124.472  647.247   41.142  648.509   41.069 -1.262390 58.13190 
1 1 1   13    2   12 o  468.086   23.620  529.634   50.796  557.368   80.268  511.107   65.604  476.651   36.033  459.521   30.548 17.13004 47.23934 
1 1 1   13    2   13 o  605.703   33.110  952.700   90.495  861.386  143.032  1013.65  116.857  573.330   53.381  638.076   39.187 -64.74609 66.22026 
1 1 1   13    2   14 o  504.435   29.257  641.708   68.884  676.201   97.398  607.189   97.435  519.079   40.149  489.790   42.566 29.28867 58.51308 
1 1 1   13    2   15 o  203.891   12.658  101.839   11.564  113.116   14.950   85.036   18.248  218.916   14.612  188.867   20.674 30.04915 25.31652 
1 1 1   13    2   16 o  242.929   17.985  146.028   17.414  149.916   20.146  134.534   34.636  251.511   17.139  234.346   31.624 17.16469 35.97004 
1 1 1   13    2   17 o  598.697   36.886  949.599  103.207  953.758  145.936  945.438  145.977  600.195   52.027  597.199   52.302 2.996094 73.77204 
1 1 1   13    2   18 o  400.515   30.007  418.936   51.712  375.913   89.589  440.431   63.326  377.559   50.772  423.470   31.997 -45.91125 60.01395 
1 1 1   13    2   19 o  284.643   15.508  193.641   20.238  195.675   31.921  192.274   26.170  285.237   23.946  284.049   19.713 1.187256 31.01651 
1 1 1   13    2   20 o  164.277   9.0194   63.625   6.9220   64.760   9.7166   62.455   9.8635  165.789   12.541  162.765   12.967 3.023590 18.03882 
1 1 1   13    2   21 o   71.969   9.4210   12.633   3.0650   14.718   4.2363   10.342   4.4402   79.078   11.463   64.859   14.954 14.21857 18.84196 
1 1 1   13    2   22 o  139.852   9.1659   46.236   5.9781   49.303   8.4112   43.105   8.4981  144.601   12.446  135.104   13.459 9.497482 18.33187 
1 1 1   13    2   23 o  244.333   16.465  140.396   16.425  152.535   32.893  136.363   18.958  249.267   28.236  239.399   16.944 9.867477 32.92980 
1 1 1   13    2   24 o  253.255   13.586  151.366   15.826  166.800   25.131  141.221   20.374  263.380   20.416  243.131   17.930 20.24944 27.17203 
1 1 1   13    2   25 o  258.280   13.015  156.332   15.485  181.167   24.562  139.949   19.949  274.666   19.135  241.895   17.646 32.77092 26.02922 
1 1 1   13    2   26 o  208.166   12.692  107.957   11.754   86.881   18.564  122.059   15.185  189.596   20.951  226.735   14.331 -37.13930 25.38333 
1 1 1   13    2   27 o  230.019   12.646  123.675   13.399  145.766   21.265  109.133   17.254  246.448   18.463  213.591   17.285 32.85692 25.29147 
1 1 1   13    2   28 o  119.883   11.039   34.246   6.1805   32.555   8.6393   36.020   8.8455  116.819   15.824  122.946   15.395 -6.126495 22.07705 
1 1 1   13    2   29 o  237.441   14.109  137.042   15.506  115.525   21.858  158.843   22.002  217.949   21.459  256.932   18.323 -38.98283 28.21707 
1 1 1   13    2   30 o  325.700   19.309  265.466   29.302  243.040   41.438  287.895   41.441  310.966   28.513  340.433   26.047 -29.46652 38.61898 
1 1 1   13    2   31 o  111.188   14.335   30.696   6.8185   30.191   11.866   30.945   8.3312  108.681   24.003  113.694   15.679 -5.012878 28.67039 
1 1 1   13    2   32 o  159.812   16.568   61.475   12.375   0.0000   0.0000   61.475   12.375  ?   ?   159.812   16.568      ?      ? 
1 1 1   13    2   33 o   83.176   23.877   17.749   9.7682   17.749   9.7682   0.0000   0.0000   83.176   23.877  ?   ?       ?      ? 
1 1 1   13    2   34 o  106.484   15.765   27.310   7.8454   27.310   7.8454   0.0000   0.0000  106.484   15.765  ?   ?       ?      ? 
1 1 1   13    2   35 o  118.056   23.702   35.731   12.623   35.731   12.623   0.0000   0.0000  118.056   23.702  ?   ?       ?      ? 
1 1 1   13    2   36 o  169.693   17.375   72.310   13.775   74.478   19.532   70.164   19.431  172.380   24.244  167.006   24.895 5.374405 34.74989 
1 1 1   13    2   37 o  170.241   13.982   67.948   10.651   60.218   13.014   83.627   18.535  157.151   17.719  183.332   21.632 -26.18047 27.96311 
1 1 1   13    2   38 o  158.664   17.489   72.201   10.926   84.900   13.388   46.875   18.906  187.324   15.292  130.004   31.457 57.32019 34.97701 
1 1 1   13    2   39 o  157.077   12.279   60.859   8.8601   73.028   12.508   48.603   12.552  173.725   15.405  140.428   19.126 33.29668 24.55897 
1 1 1   13    2   40 o  147.915   13.638   49.754   8.9049   67.465   16.160   42.031   10.671  164.624   21.004  131.206   17.403 33.41809 27.27662 
1 1 1   13    2   41 f   73.531   13.575   13.818   4.9897   7.6162   7.1266   19.781   6.9884   58.416   20.767   88.645   17.490 -30.22858 27.15094 
1 1 1   13    2   42 o  172.052   11.707   74.071   9.0473   82.256   11.758   62.195   14.165  185.133   13.590  158.970   19.065 26.16342 23.41324 
1 1 1   13    2   43 o   57.077   10.703   3.9168   3.9906  -6.1548   5.2216   18.060   6.1877   29.409   13.975   84.745   16.214 -55.33606 21.40569 
1 1 1   13    2   44 o  100.886   11.741   25.717   5.2750   28.123   7.0012   22.558   8.0226  107.885   13.886   93.888   18.937 13.99751 23.48256 
1 1 1   13    2   45 o  157.054   13.443   63.569   9.0285   86.725   12.798   40.625   12.739  189.213   14.472  124.896   22.659 64.31718 26.88633 
1 1 1   13    2   46 o   38.488   12.532  -3.9419   4.9451  -6.7510   8.7462  -2.6219   5.9954   40.511   18.882   36.465   16.481 4.046112 25.06311 
1 1 1   13    2   47 o   92.908   16.230   24.133   6.8621   19.343   11.824   26.566   8.4263   84.059   26.745  101.756   18.396 -17.69613 32.46046 
1 1 1   13    2   48 o  119.945   17.419   35.912   9.7645   0.0000   0.0000   35.912   9.7645  ?   ?   119.945   17.419      ?      ? 
1 1 1   13    2   50 o   65.352   24.537   10.120   10.153   10.120   10.153   0.0000   0.0000   65.352   24.537  ?   ?       ?      ? 
1 1 1   13    2   51 o   81.834   15.692   18.679   6.3211   22.885   8.5448   13.594   9.3942   92.483   20.324   71.185   23.913 21.29736 31.38329 
1 1 1   13    2   52 o  177.209   12.032   79.090   9.7301   76.642   12.425   82.971   15.645  175.142   15.180  179.276   18.673 -4.134171 24.06492 
1 1 1   13    2   53 o  121.242   14.992   43.570   7.6146   27.278   12.175   54.037   9.7588   95.374   26.411  147.111   14.194 -51.73727 29.98339 
1 1 1   13    2   54 o   51.559   12.946   3.2417   4.7457  -5.1846   6.4880   12.938   6.9597   34.374   16.100   68.744   20.277 -34.37031 25.89121 
1 1 1   13    2   55 o   82.334   14.534   19.823   5.7979   25.329   7.7585   12.859   8.7254   97.290   17.716   67.378   23.044 29.91212 29.06702 
1 1 1   13    2   56 o   84.009   14.799   21.003   5.8582   24.178   7.8033   16.901   8.8678   93.405   18.530   74.614   23.080 18.79166 29.59774 
1 1 1   13    2   57 o   54.600   14.358   7.3923   4.9465   5.4134   6.9104   9.4717   7.0836   50.258   19.871   58.941   20.731 -8.682816 28.71621 
1 1 1   13    2   58 o   91.566   17.137   28.115   7.2746   29.458   8.3483   23.878   14.828  104.029   17.171   79.103   29.662 24.92623 34.27367 
1 1 1   13    2   59 o   34.751   11.515  -4.4578   4.8027  -1.2481   6.4972  -8.3242   7.1309   37.390   17.001   32.111   15.535 5.278973 23.03006 
1 1 1   13    2   60 o   51.947   13.725   7.4673   4.6325   4.4240   6.5939   10.433   6.5095   45.640   18.904   58.255   19.904 -12.61497 27.45062 
1 1 1   13    2   61 o   53.270   13.740   8.3735   4.4198   8.5770   6.7381   8.2198   5.8556   53.697   20.023   52.843   18.820 0.8542671 27.47942 
1 1 1   13    2   62 o   48.869   15.315   5.1532   5.9467   6.8460   13.446   4.7416   6.6304   52.749   24.164   44.990   18.822 7.758957 30.62973 
1 1 1   13    3    0 o  356.823   16.304  303.405   38.082  303.405   38.082  303.405   38.082  356.823   23.057  356.823   23.057 -0.000000 0.000000 
1 1 1   13    3    1 o  426.952   18.797  434.463   37.495  446.514   53.021  422.408   53.031  432.993   26.201  420.910   26.958 12.08246 37.59333 
1 1 1   13    3    2 o  549.399   24.298  729.019   62.320  691.060   88.127  766.990   88.139  534.614   35.272  564.184   33.428 -29.56952 48.59523 
1 1 1   13    3    3 o  287.380   12.044  192.759   16.059  208.930   24.554  180.672   21.228  297.731   17.646  277.029   16.396 20.70261 24.08804 
1 1 1   13    3    4 o  548.036   22.656  720.161   57.478  733.099   87.810  710.462   76.028  551.342   34.078  544.730   29.864 6.611938 45.31239 
1 1 1   13    3    5 o  498.160   19.178  591.679   44.647  597.764   63.142  585.594   63.138  500.773   26.980  495.546   27.262 5.226837 38.35520 
1 1 1   13    3    6 o  358.094   15.032  302.142   24.942  294.141   32.988  312.822   38.111  352.835   20.005  363.352   22.443 -10.51639 30.06494 
1 1 1   13    3    7 o  539.108   20.363  695.190   51.292  712.925   72.542  677.459   72.535  546.146   28.421  532.070   29.170 14.07544 40.72626 
1 1 1   13    3    8 o  412.028   15.341  402.172   29.541  399.689   41.780  404.656   41.775  410.738   21.765  413.319   21.627 -2.580017 30.68292 
1 1 1   13    3    9 o  510.291   19.396  622.814   46.247  607.534   65.393  638.104   65.413  503.884   27.769  516.698   27.088 -12.81473 38.79289 
1 1 1   13    3   10 o  172.053   8.6119   69.309   6.8799   71.346   10.401   67.724   9.1735  174.251   12.772  169.856   11.556 4.395615 17.22390 
1 1 1   13    3   11 o  343.495   17.680  281.142   27.869  287.925   43.971  276.588   36.029  346.227   27.175  340.763   22.623 5.463013 35.35926 
1 1 1   13    3   12 o  221.522   13.235  116.404   13.678  107.884   19.229  125.129   19.461  213.213   19.297  229.832   18.118 -16.61838 26.46968 
1 1 1   13    3   13 o  341.516   19.842  282.240   31.670  280.683   44.717  283.807   44.859  340.556   28.096  342.475   28.027 -1.919128 39.68489 
1 1 1   13    3   14 o  261.250   12.955  157.803   15.590  137.733   20.081  188.248   24.733  240.992   17.830  281.509   18.799 -40.51738 25.90993 
1 1 1   13    3   15 o  404.460   19.990  389.814   37.250  357.055   48.065  439.079   58.943  384.345   26.759  424.575   29.705 -40.22977 39.98061 
1 1 1   13    3   16 o  167.903   11.217   67.800   8.5215   71.726   10.964   61.812   13.542  174.430   13.450  161.376   17.956 13.05423 22.43470 
1 1 1   13    3   17 o  451.169   23.836  502.437   49.176  502.725   63.471  502.003   77.784  453.880   29.922  448.459   37.113 5.421295 47.67254 
1 1 1   13    3   18 o  294.516   15.937  207.879   21.937  207.872   30.981  207.886   31.065  294.521   22.508  294.511   22.570 0.1065063E-01 31.87481 
1 1 1   13    3   19 o  172.980   12.824   68.825   9.1159   75.990   18.192   66.423   10.534  178.144   21.851  167.816   13.431 10.32730 25.64859 
1 1 1   13    3   20 o  322.341   14.377  248.228   21.654  253.579   30.567  242.837   30.680  325.920   20.068  318.763   20.595 7.156891 28.75491 
1 1 1   13    3   21 o  311.749   14.403  232.425   20.984  230.788   29.642  234.071   29.712  310.630   20.418  312.867   20.320 -2.236420 28.80627 
1 1 1   13    3   22 o  310.359   14.269  230.816   20.664  215.986   29.193  245.706   29.253  300.122   20.813  320.596   19.524 -20.47470 28.53723 
1 1 1   13    3   23 o  281.291   14.324  188.878   18.479  195.114   29.263  184.742   23.832  284.464   22.012  278.117   18.335 6.347015 28.64792 
1 1 1   13    3   24 o  181.038   9.2641   77.557   7.8264   72.181   10.993   83.082   11.145  174.611   13.471  187.465   12.721 -12.85396 18.52811 
1 1 1   13    3   25 o   68.182   9.7424   11.414   2.9888   11.537   4.0639   11.270   4.4108   68.700   13.136   67.665   14.391 1.035248 19.48476 
1 1 1   13    3   26 o  215.534   11.760  110.942   11.593  110.719   18.360  111.090   14.951  214.878   18.282  216.190   14.798 -1.312836 23.52058 
1 1 1   13    3   27 o  134.061   9.6793   42.393   5.9266   43.743   9.5045   41.534   7.5809  135.599   14.998  132.524   12.240 3.074677 19.35858 
1 1 1   13    3   28 o  217.480   13.584  114.482   13.682   96.746   19.252  132.580   19.447  199.886   20.609  235.075   17.702 -35.18846 27.16770 
1 1 1   13    3   29 o  310.467   18.026  238.430   26.156  239.040   36.949  237.818   37.030  310.908   25.429  310.026   25.557 0.8814392 36.05296 
1 1 1   13    3   30 o  217.450   13.665  114.401   13.887  115.769   19.659  113.039   19.619  218.786   19.227  216.115   19.424 2.670746 27.33096 
1 1 1   13    3   31 o  256.597   18.516  156.042   21.290  196.345   37.002  136.097   26.031  278.550   28.424  234.643   23.737 43.90694 37.03224 
1 1 1   13    3   32 o  177.174   15.429   77.990   11.932   79.405   14.601   75.146   20.702  181.320   17.231  173.029   25.600 8.290741 30.85881 
1 1 1   13    3   33 o  143.844   12.588   49.292   8.4625   49.292   8.4625   0.0000   0.0000  143.844   12.588  ?   ?       ?      ? 
1 1 1   13    3   34 o  114.948   13.071   31.517   7.0217   31.517   7.0217   0.0000   0.0000  114.948   13.071  ?   ?       ?      ? 
1 1 1   13    3   36 o  113.467   13.560   31.978   6.7548   31.781   11.084   32.095   8.5196  111.558   22.041  115.377   15.800 -3.818626 27.11927 
1 1 1   13    3   37 o   50.116   12.965   5.1584   3.9595   5.3938   5.4288   4.8908   5.7876   50.360   18.102   49.872   18.565 0.4880333 25.92912 
1 1 1   13    3   38 o  120.594   11.447   35.300   6.4299   39.297   9.2641   31.584   8.9316  127.349   15.566  113.839   16.788 13.50992 22.89367 
1 1 1   13    3   39 o  132.751   10.386   41.575   6.3540   37.220   8.1939   48.143   10.063  124.385   14.095  141.116   15.259 -16.73096 20.77298 
1 1 1   13    3   40 o  139.543   10.599   47.000   6.7622   46.923   8.7115   47.117   10.726  139.872   13.327  139.215   16.486 0.6570282 21.19874 
1 1 1   13    3   41 o  182.229   11.557   81.188   9.5995   83.381   12.401   77.910   15.162  186.143   14.256  178.315   18.194 7.827240 23.11407 
1 1 1   13    3   42 o   67.811   12.629   11.182   4.1071   7.9241   5.4011   15.648   6.3241   57.034   18.068   78.588   17.650 -21.55315 25.25831 
1 1 1   13    3   43 o   91.267   12.660   22.352   5.0767   26.799   6.5232   15.521   8.0846  105.448   13.237   77.087   21.584 28.36118 25.31984 
1 1 1   13    3   44 o  170.839   11.077   68.494   8.6418   51.944   11.172   93.145   13.635  145.745   16.403  195.934   14.890 -50.18921 22.15315 
1 1 1   13    3   45 o  130.778   11.261   41.941   6.7643   42.733   8.8515   40.828   10.487  132.833   14.258  128.723   17.433 4.110077 22.52124 
1 1 1   13    3   46 o  129.792   12.274   41.726   7.4414   43.545   10.707   40.028   10.349  132.557   17.283  127.027   17.433 5.529533 24.54856 
1 1 1   13    3   47 f   68.728   15.272   4.6700   5.7639   26.848   11.621  -2.5659   6.6380   98.873   25.104   38.583   17.399 60.28955 30.54372 
1 1 1   13    3   48 o   86.110   19.438   19.441   7.6372   0.0000   0.0000   19.441   7.6372  ?   ?    86.110   19.438      ?      ? 
1 1 1   13    3   49 o  120.236   17.812   36.405   10.009   36.405   10.009   0.0000   0.0000  120.236   17.812  ?   ?       ?      ? 
1 1 1   13    3   50 o  167.412   18.997   71.627   14.864   71.627   14.864   0.0000   0.0000  167.412   18.997  ?   ?       ?      ? 
1 1 1   13    3   51 f  166.346   17.459   76.026   12.390   76.907   15.318   74.358   21.073  173.139   18.930  159.552   29.342 13.58759 34.91806 
1 1 1   13    3   52 o   47.894   14.562   0.1846   6.3550   5.8661   7.8190 -10.8732   10.908   53.949   21.198   41.839   19.971 12.11014 29.12360 
1 1 1   13    3   53 o  114.896   15.966   33.762   7.6484   29.905   8.9550   44.161   14.705  107.486   17.827  122.307   26.493 -14.82083 31.93231 
1 1 1   13    3   54 o  146.474   13.385   57.630   8.6675   61.987   10.989   50.458   14.100  156.975   14.979  135.973   22.188 21.00191 26.77092 
1 1 1   13    3   55 o  131.026   13.243   45.972   7.8554   46.620   10.053   44.955   12.588  134.424   16.002  127.628   21.105 6.795532 26.48537 
1 1 1   13    3   56 o   88.883   16.340   23.748   6.8280   25.632   10.169   22.201   9.2138   91.742   23.587   86.024   22.618 5.717766 32.67919 
1 1 1   13    3   57 o   55.773   14.628   7.8027   5.0584   6.1287   6.7291   9.9778   7.6704   51.356   19.809   60.190   21.529 -8.833534 29.25563 
1 1 1   13    3   58 o   50.366   15.680   1.0737   6.2591  -2.4883   7.2324   11.701   12.493   38.117   17.558   62.614   25.984 -24.49684 31.36021 
1 1 1   13    3   59 o   80.659   15.434   20.314   5.8916   22.711   9.1814   18.636   7.6817   83.700   22.837   77.619   20.768 6.080185 30.86807 
1 1 1   13    3   60 o   53.478   12.496   6.6529   4.5887  -2.8801   6.6161   15.489   6.3696   35.378   16.467   71.577   18.799 -36.19960 24.99146 
1 1 1   13    3   61 o   75.101   15.404   17.638   5.7412   25.291   9.2069   12.769   7.3440   87.546   22.408   62.655   21.143 24.89115 30.80818 
1 1 1   13    3   62 o   47.285   14.161   4.0090   6.5130 -17.8985   13.365   10.831   7.4585   37.991   18.923   56.578   21.072 -18.58698 28.32159 
1 1 1   13    4    0 o  735.652   40.038  1341.40  192.020  1341.40  192.020  1341.40  192.020  735.652   56.622  735.652   56.622 -0.000000 0.000000 
1 1 1   13    4    1 o  439.835   21.092  464.035   40.769  460.440   70.645  465.830   49.921  436.728   34.612  442.942   24.116 -6.213654 42.18483 
1 1 1   13    4    2 o  449.996   17.938  478.369   37.435  506.924   57.203  456.980   49.508  461.292   26.534  438.700   24.147 22.59274 35.87642 
1 1 1   13    4    3 o  495.359   19.038  584.937   44.074  584.104   62.333  585.770   62.328  494.999   26.945  495.720   26.903 -0.7202454 38.07615 
1 1 1   13    4    4 o  545.811   24.251  702.417   58.869  666.781   72.090  773.740  101.988  527.903   29.220  563.719   38.712 -35.81708 48.50171 
1 1 1   13    4    5 o  363.873   16.534  314.217   28.117  313.405   39.774  315.028   39.752  363.394   23.419  364.352   23.345 -0.9577637 33.06745 
1 1 1   13    4    6 o  717.773   30.046  1270.49   99.545  1244.92  152.066  1289.67  131.680  708.410   45.931  727.136   38.749 -18.72614 60.09272 
1 1 1   13    4    7 f  302.144   12.087  215.258   17.063  209.633   24.108  220.905   24.153  298.155   17.301  306.133   16.882 -7.977448 24.17301 
1 1 1   13    4    8 o  272.662   11.691  175.415   14.746  174.167   22.466  176.359   19.547  271.635   17.697  273.689   15.282 -2.053406 23.38175 
1 1 1   13    4    9 o  161.133   8.6130   60.705   6.4460   63.481   9.7568   58.554   8.5869  164.350   12.703  157.916   11.635 6.434128 17.22591 
1 1 1   13    4   10 o  342.928   15.208  279.938   24.347  264.974   34.407  294.945   34.457  333.582   22.070  352.274   20.929 -18.69159 30.41589 
1 1 1   13    4   11 o  447.170   23.949  490.070   50.040  478.863   70.712  501.312   70.821  441.816   34.246  452.524   33.487 -10.70834 47.89771 
1 1 1   13    4   12 o  354.082   18.207  301.841   29.487  302.056   38.037  301.517   46.679  355.320   22.906  352.843   28.308 2.477295 36.41429 
1 1 1   13    4   13 o  273.616   17.206  173.520   19.227  167.139   22.148  193.043   38.741  265.468   17.851  281.763   29.420 -16.29483 34.41240 
1 1 1   13    4   14 o  189.873   9.4463   85.039   8.3410   74.430   11.652   96.187   11.945  177.634   14.036  202.112   12.646 -24.47852 18.89260 
1 1 1   13    4   15 o  308.422   15.100  227.402   21.741  238.995   30.698  215.736   30.795  316.501   20.753  300.343   21.939 16.15866 30.19978 
1 1 1   13    4   16 o  469.322   20.306  535.883   44.504  512.351   62.914  559.450   62.962  458.592   29.355  480.052   28.064 -21.45920 40.61127 
1 1 1   13    4   17 o  579.565   34.081  876.389   92.307  867.789  130.512  884.997  130.571  576.403   48.449  582.726   47.945 -6.322937 68.16126 
1 1 1   13    4   18 o  158.609   13.109   61.990   9.1555   52.598   15.095   67.455   11.515  148.234   21.790  168.984   14.581 -20.74916 26.21820 
1 1 1   13    4   19 o  347.254   18.429  287.232   29.492  319.928   46.562  265.325   38.112  362.825   27.459  331.683   24.587 31.14197 36.85807 
1 1 1   13    4   20 o  372.066   26.665  365.626   38.532  314.502   77.030  382.686   44.499  345.713   47.677  398.420   23.898 -52.70755 53.33078 
1 1 1   13    4   21 o  151.033   9.4974   53.833   6.6996   51.216   9.3521   56.591   9.6020  147.247   13.590  154.820   13.271 -7.573395 18.99477 
1 1 1   13    4   22 o  420.528   19.738  433.756   38.790  428.361   54.836  439.160   54.878  417.789   28.084  423.267   27.742 -5.478577 39.47612 
1 1 1   13    4   23 o  171.689   9.8171   69.939   7.8612   73.759   11.003   65.955   11.235  176.576   13.334  166.802   14.412 9.773605 19.63427 
1 1 1   13    4   24 o  130.652   8.3792   40.358   5.0759   34.022   7.0636   47.123   7.2991  119.947   12.601  141.357   11.049 -21.41018 16.75850 
1 1 1   13    4   25 o  152.114   8.8698   54.724   6.2954   50.652   8.8108   58.972   8.9983  146.282   12.888  157.946   12.190 -11.66435 17.73966 
1 1 1   13    4   26 o  373.548   16.508  340.467   28.766  317.401   40.660  363.580   40.702  360.331   24.145  386.766   22.518 -26.43512 33.01573 
1 1 1   13    4   27 o  239.618   11.861  137.409   13.263  145.938   18.758  128.883   18.755  247.233   16.235  232.004   17.297 15.22873 23.72219 
1 1 1   13    4   28 f  297.173   16.985  221.993   22.688  240.761   29.263  193.710   35.922  315.579   19.841  278.766   27.572 36.81360 33.96921 
1 1 1   13    4   29 o  173.550   14.898   76.511   10.174   79.788   11.767   66.807   20.250  183.199   13.743  163.901   26.436 19.29822 29.79535 
1 1 1   13    4   30 o  227.909   30.133  132.143   32.096  132.143   32.096   0.0000   0.0000  227.909   30.133  ?   ?       ?      ? 
1 1 1   13    4   31 o   87.497   17.524   20.110   7.6164   14.647   12.069   23.726   9.8183   78.527   27.092   96.467   22.234 -17.93978 35.04720 
1 1 1   13    4   32 o   90.984   15.769   21.788   7.6635   5.9954   11.611   33.977   10.201   63.721   25.570  118.246   18.459 -54.52502 31.53704 
1 1 1   13    4   33 o   68.614   14.337   12.106   4.8476   13.507   5.8764   9.1222   8.5763   73.258   17.419   63.971   22.778 9.286541 28.67461 
1 1 1   13    4   34 o  183.364   18.285   88.889   13.740   94.865   16.692   76.336   24.194  197.718   18.065  169.011   31.797 28.70685 36.57060 
1 1 1   13    4   35 o   70.525   15.806   12.621   6.0248   15.714   7.4365   6.7144   10.278   78.653   20.143   62.396   24.365 16.25728 31.61275 
1 1 1   13    4   36 f  150.883   13.995   57.584   9.3349   50.167   15.318   61.967   11.774  141.543   23.156  160.222   15.724 -18.67830 27.98997 
1 1 1   13    4   37 o  161.462   12.105   63.730   9.1000   58.041   12.936   69.303   12.804  153.964   17.978  168.959   16.215 -14.99515 24.20980 
1 1 1   13    4   38 o   98.164   11.815   24.909   4.9777   27.869   6.3156   20.055   8.0877  107.931   12.521   88.397   20.039 19.53351 23.62910 
1 1 1   13    4   39 o   83.136   11.662   17.001   4.3183   15.341   5.5988   19.439   6.7845   78.296   15.845   87.976   17.117 -9.680389 23.32485 
1 1 1   13    4   40 o  179.979   12.102   81.254   9.7658   89.443   12.621   69.034   15.417  192.852   14.003  167.105   19.741 25.74757 24.20327 
1 1 1   13    4   41 o   91.095   11.474   19.578   4.6830   14.412   6.0238   27.470   7.4452   75.478   17.429  106.713   14.929 -31.23515 22.94855 
1 1 1   13    4   42 o  139.648   10.749   47.243   6.8624   47.305   8.8483   47.151   10.871  140.281   13.496  139.015   16.732 1.265594 21.49712 
1 1 1   13    4   43 o   49.906   13.327   4.5599   4.2800   2.7797   5.7713   6.7355   6.3800   44.907   18.025   54.905   19.636 -9.998135 26.65442 
1 1 1   13    4   44 o  133.650   13.281   45.209   7.6982   62.432   11.190   29.732   10.607  160.431   14.924  106.868   21.972 53.56290 26.56123 
1 1 1   13    4   45 o   91.095   14.097   21.783   5.9802   15.577   8.7515   27.219   8.1910   76.976   22.747  105.215   16.658 -28.23906 28.19371 
1 1 1   13    4   46 o  120.706   12.485   36.086   7.0265   38.662   10.377   33.905   9.5483  124.598   17.821  116.814   17.490 7.783844 24.96973 
1 1 1   13    4   47 o   72.633   15.778   14.769   6.3190   4.7436   11.531   19.071   7.5543   59.847   24.911   85.419   19.369 -25.57248 31.55515 
1 1 1   13    4   48 o  132.113   26.863   48.642   16.021   0.0000   0.0000   48.642   16.021  ?   ?   132.113   26.863      ?      ? 
1 1 1   13    4   49 o   96.640   21.367   25.038   9.3939   25.038   9.3939   0.0000   0.0000   96.640   21.367  ?   ?       ?      ? 
1 1 1   13    4   50 o   58.652   16.943   5.7854   7.1072   6.1129   12.006   5.6088   8.8182   61.531   25.499   55.774   22.318 5.756840 33.88671 
1 1 1   13    4   51 o  130.044   17.583   46.359   9.6747   48.079   17.341   45.582   11.657  126.792   29.773  133.295   18.713 -6.502747 35.16563 
1 1 1   13    4   52 o   53.312   15.117   1.7651   6.0678   12.507   9.8401  -4.8259   7.7077   68.108   24.382   38.517   17.876 29.59177 30.23346 
1 1 1   13    4   53 o  130.285   13.018   44.152   7.9257   43.660   11.229   44.641   11.189  129.452   18.560  131.117   18.259 -1.664215 26.03592 
1 1 1   13    4   54 o  120.306   17.358   41.133   8.9447   40.549   10.813   42.400   15.921  124.347   18.606  116.266   29.309 8.080551 34.71558 
1 1 1   13    4   55 o   71.538   16.259   9.4593   7.5525   30.949   12.035  -4.5000   9.7001  100.010   25.632   43.066   20.010 56.94361 32.51758 
1 1 1   13    4   56 o   50.998   15.028   4.7915   5.6802   5.8672   6.6932   2.0225   10.739   50.668   19.696   51.329   22.703 -0.6610909 30.05598 
1 1 1   13    4   57 o  126.568   20.509   52.895   11.910   62.406   17.533   44.748   16.228  139.159   27.930  113.976   30.041 25.18340 41.01865 
1 1 1   13    4   58 o   74.583   18.329   18.608   7.7475   14.367   9.9849   25.025   12.281   66.194   24.435   82.971   27.326 -16.77638 36.65777 
1 1 1   13    4   59 o   51.525   14.992   6.1789   5.7780   3.8710   7.5993   9.3415   8.8957   46.555   19.844   56.495   22.479 -9.940025 29.98453 
1 1 1   13    4   60 o   60.287   16.274   11.357   6.0291   9.9203   7.2581   14.554   10.829   56.665   20.847   63.908   24.995 -7.242767 32.54723 
1 1 1   13    4   61 o   43.337   18.764   2.9066   6.9995   0.0000   0.0000   2.9066   6.9995  ?   ?    43.337   18.764      ?      ? 
1 1 1   13    4   62 o   48.261   22.436   2.9874   12.222   2.9874   12.222   0.0000   0.0000   48.261   22.436  ?   ?       ?      ? 
1 1 1   13    5    0 o  288.468   13.978  198.260   26.363  198.260   26.363  198.260   26.363  288.468   19.768  288.468   19.768 -0.000000 0.000000 
1 1 1   13    5    1 o  252.664   13.426  150.945   15.520  149.762   24.537  151.734   20.037  251.564   20.871  253.765   16.895 -2.201080 26.85229 
1 1 1   13    5    2 o  117.976   7.5008   32.150   4.1027   36.667   6.3044   28.832   5.4034  125.051   10.787  110.901   10.425 14.15000 15.00166 
1 1 1   13    5    3 o  182.299   8.2964   77.979   7.0680   79.025   10.011   76.941   9.9803  183.521   11.672  181.077   11.793 2.443588 16.59286 
1 1 1   13    5    4 o  326.520   12.436  251.518   18.977  254.106   26.837  248.931   26.838  328.216   17.496  324.825   17.679 3.390808 24.87271 
1 1 1   13    5    5 o  321.453   12.058  243.700   18.115  244.246   25.607  243.152   25.630  321.818   17.026  321.088   17.080 0.7306213 24.11627 
1 1 1   13    5    6 o  316.568   16.250  245.694   22.261  217.685   38.489  259.773   27.288  301.445   27.320  331.690   17.604 -30.24551 32.50067 
1 1 1   13    5    7 o  248.285   10.645  146.443   12.173  137.271   18.533  153.404   16.144  241.195   16.441  255.375   13.527 -14.18010 21.29028 
1 1 1   13    5    8 o  243.771   11.671  140.338   13.296  141.875   18.784  138.795   18.823  245.125   16.397  242.417   16.614 2.708694 23.34278 
1 1 1   13    5    9 o  122.468   8.1952   35.251   4.6867   33.436   6.5969   37.100   6.6596  119.271   11.835  125.666   11.339 -6.395111 16.39039 
1 1 1   13    5   10 o  293.600   15.315  204.669   20.619  200.739   26.595  210.592   32.648  290.630   19.580  296.569   23.555 -5.938477 30.63022 
1 1 1   13    5   11 o  469.960   25.986  548.815   56.984  582.874   80.605  514.786   80.569  485.454   35.528  454.467   37.933 30.98706 51.97297 
1 1 1   13    5   12 o  402.366   20.340  392.453   37.482  396.447   59.255  389.789   48.394  402.564   31.496  402.168   25.748 0.3960571 40.68089 
1 1 1   13    5   13 o  356.867   20.106  310.722   33.226  263.798   46.932  357.874   47.046  328.680   30.553  385.054   26.143 -56.37369 40.21122 
1 1 1   13    5   14 o  200.974   11.828   97.128   10.802   88.780   16.984  102.800   13.999  193.253   18.805  208.695   14.353 -15.44176 23.65639 
1 1 1   13    5   15 o  145.506   9.9138   49.795   6.6275   50.819   10.417   49.099   8.5905  146.636   15.200  144.376   12.732 2.259964 19.82758 
1 1 1   13    5   16 f  269.680   14.271  175.843   17.475  162.111   27.587  185.046   22.585  260.046   22.699  279.314   17.301 -19.26755 28.54107 
1 1 1   13    5   17 o  143.392   10.607   48.445   7.0879   53.883   10.320   43.589   9.7520  151.025   14.621  135.758   15.370 15.26717 21.21359 
1 1 1   13    5   18 o  114.090   13.459   31.174   6.5579   32.446   11.528   30.566   7.9739  114.487   22.347  113.693   15.007 0.7931747 26.91867 
1 1 1   13    5   19 o  107.246   13.450   27.166   6.2178   30.078   10.917   25.768   7.5645  110.171   21.974  104.320   15.516 5.851395 26.89940 
1 1 1   13    5   20 o  152.315   9.1889   56.161   6.3505   47.264   9.7342   62.754   8.3792  141.327   14.738  163.302   10.979 -21.97510 18.37779 
1 1 1   13    5   21 o  316.615   14.672  239.571   21.278  235.596   27.402  245.609   33.769  314.114   18.666  319.116   22.643 -5.002197 29.34476 
1 1 1   13    5   22 o  181.509   8.7200   77.461   7.3030   75.817   9.5494   79.777   11.335  179.335   11.394  183.683   13.204 -4.347366 17.44000 
1 1 1   13    5   23 o  240.219   10.033  136.071   11.161  131.337   14.707  142.497   17.137  235.522   13.362  244.916   14.972 -9.393723 20.06700 
1 1 1   13    5   24 o  235.709   10.975  133.521   11.882  140.169   15.677  124.549   18.214  243.123   13.798  228.295   17.071 14.82832 21.94997 
1 1 1   13    5   25 f  269.800   12.878  174.550   16.054  174.654   21.188  174.409   24.599  270.418   16.765  269.182   19.554 1.236237 25.75700 
1 1 1   13    5   26 o  245.951   10.125  142.511   11.534  135.333   15.171  152.342   17.754  238.873   13.590  253.028   15.014 -14.15500 20.25075 
1 1 1   13    5   27 o   68.903   11.032   12.016   3.4846   13.754   4.4560   9.2793   5.5908   76.208   12.511   61.599   18.175 14.60901 22.06459 
1 1 1   13    5   28 o  140.596   10.356   48.383   6.5558   53.187   8.4985   41.324   10.302  149.873   12.133  131.318   16.787 18.55470 20.71242 
1 1 1   13    5   29 o   67.287   13.831   11.492   4.4964   12.651   5.4079   8.8969   8.0928   71.284   16.551   63.291   22.164 7.993084 27.66201 
1 1 1   13    5   30 o  142.908   11.432   45.590   7.3327   37.230   8.9697   62.434   12.732  124.712   15.390  161.104   16.910 -36.39200 22.86477 
1 1 1   13    5   31 o  130.591   12.856   41.071   7.4009   40.529   9.0567   42.160   12.840  130.076   14.898  131.106   20.955 -1.030502 25.71153 
1 1 1   13    5   32 o  256.750   23.615  175.086   28.329  180.366   40.324  169.941   39.808  260.868   33.075  252.631   33.716 8.236160 47.23033 
1 1 1   13    5   33 o  227.081   16.222  119.890   16.425  157.730   29.021  102.058   19.923  250.565   24.783  203.598   20.938 46.96701 32.44358 
1 1 1   13    5   34 o  189.302   14.896   86.779   12.418   84.228   15.131   92.042   21.732  186.604   17.350  192.000   24.219 -5.396439 29.79267 
1 1 1   13    5   35 o  114.010   16.026   38.887   7.4565   46.523   8.8412   20.073   13.878  139.499   13.561   88.520   29.043 50.97994 32.05274 
1 1 1   13    5   36 o   64.339   12.374   10.441   4.1933   15.830   5.7078   4.1228   6.1809   79.614   15.897   49.064   18.968 30.54958 24.74861 
1 1 1   13    5   37 o   79.104   12.359   16.259   4.4253   18.381   5.6094   12.763   7.2015   87.448   13.725   70.761   20.556 16.68681 24.71708 
1 1 1   13    5   38 o  122.746   10.328   35.385   5.8150   31.704   7.4108   41.282   9.3804  114.858   13.806  130.633   15.365 -15.77484 20.65610 
1 1 1   13    5   39 o  116.039   12.718   33.726   6.6309   28.038   9.5024   39.124   9.2573  104.950   20.106  127.129   15.581 -22.17905 25.43629 
1 1 1   13    5   40 o  147.454   12.130   53.027   8.3558   54.817   11.826   51.243   11.808  150.042   16.865  144.865   17.441 5.176651 24.26089 
1 1 1   13    5   41 o  138.996   12.219   47.426   7.8647   40.786   11.213   53.856   11.034  128.888   18.615  149.105   15.834 -20.21628 24.43865 
1 1 1   13    5   42 o  108.577   12.662   29.060   6.4220   29.576   9.2505   28.580   8.9226  109.450   18.084  107.705   17.726 1.745598 25.32316 
1 1 1   13    5   43 o  102.412   13.336   26.748   6.1788   21.992   8.8637   31.244   8.6178   91.832   21.097  112.992   16.319 -21.16039 26.67184 
1 1 1   13    5   44 o  263.359   16.748  178.405   20.487  158.063   29.042  198.554   28.904  246.850   25.174  279.868   22.098 -33.01863 33.49695 
1 1 1   13    5   45 o  162.252   12.736   65.360   9.6464   69.886   13.888   61.141   13.408  167.836   17.706  156.668   18.313 11.16776 25.47291 
1 1 1   13    5   46 o   86.233   17.205   20.983   6.8916   15.961   13.818   22.646   7.9510   78.860   28.801   93.606   18.827 -14.74529 34.40930 
1 1 1   13    5   47 o   81.782   15.040   17.688   5.7479   18.706   8.8747   16.952   7.5439   83.430   22.323   80.134   20.161 3.296051 30.07942 
1 1 1   13    5   48 o   55.004   16.673   1.9539   7.4283   4.5950   12.191   0.3943   9.3682   60.385   25.407   49.623   21.597 10.76229 33.34610 
1 1 1   13    5   49 o   60.410   22.720   8.2504   8.7118   8.2504   8.7118   0.0000   0.0000   60.410   22.720  ?   ?       ?      ? 
1 1 1   13    5   50 o   75.268   18.842   15.405   8.3250   13.118   12.825   17.070   10.944   72.226   27.472   78.310   25.796 -6.083595 37.68477 
1 1 1   13    5   51 o  116.776   15.057   36.967   7.9197   42.169   10.860   31.057   11.574  128.365   18.103  105.186   24.066 23.17928 30.11454 
1 1 1   13    5   52 o   69.926   15.926   13.149   5.8217   11.056   7.4634   16.403   9.3036   64.073   21.312   75.779   23.673 -11.70599 31.85283 
1 1 1   13    5   53 o   54.265   14.853   6.3790   5.2619   6.8628   6.5866   5.5256   8.7484   53.940   19.857   54.590   22.093 -0.6500168 29.70522 
1 1 1   13    5   54 o  111.245   15.081   33.873   7.6173   24.841   10.300   44.776   11.317   92.194   23.757  130.297   18.584 -38.10322 30.16221 
1 1 1   13    5   55 o   56.940   16.044   6.8055   6.3257   12.270   10.276   3.4713   8.0268   65.234   24.644   48.646   20.550 16.58775 32.08758 
1 1 1   13    5   56 o   60.936   17.726   8.7722   8.1559   7.0748   11.842   10.304   11.249   59.013   24.946   62.860   25.188 -3.846817 35.45104 
1 1 1   13    5   57 o   71.179   16.981   15.183   6.7464   10.786   8.8121   21.410   10.487   61.186   22.882   81.173   25.096 -19.98623 33.96152 
1 1 1   13    5   58 o   47.816   13.936   3.7906   5.6837   8.9543   6.8209  -7.9399   10.281   55.696   20.252   39.937   19.150 15.75905 27.87208 
1 1 1   13    5   59 o   55.044   15.634   8.7083   6.1442   9.2431   8.2689   8.0491   9.1808   55.821   21.839   54.267   22.377 1.553699 31.26741 
1 1 1   13    5   60 o   45.263   14.159   1.4958   6.3127   6.5377   7.9530  -7.0907   10.379   50.597   20.841   39.929   19.171 10.66798 28.31752 
1 1 1   13    5   61 o   50.467   15.911   5.5323   7.4058   1.7278   13.976   7.0177   8.7327   49.996   23.485   50.939   21.472 -0.9431152 31.82109 
1 1 1   13    6    0 o   47.406   11.293   6.7919   3.1628   6.7919   3.1628   6.7919   3.1628   47.406   15.971   47.406   15.971 -0.000000 0.000000 
1 1 1   13    6    1 o  536.112   23.442  698.607   58.603  750.477   82.886  646.760   82.867  556.808   31.852  515.417   34.402 41.39056 46.88311 
1 1 1   13    6    2 o  267.563   13.947  170.737   17.037  164.128   26.858  175.187   22.039  262.779   21.869  272.346   17.315 -9.567413 27.89430 
1 1 1   13    6    3 o  370.192   17.648  322.554   28.980  343.536   50.154  312.036   35.508  377.871   28.400  362.512   20.959 15.35895 35.29643 
1 1 1   13    6    4 o  257.577   11.498  156.729   13.700  155.563   20.876  157.610   18.156  256.548   17.411  258.606   15.022 -2.057953 22.99626 
1 1 1   13    6    5 o  237.270   11.237  132.886   12.459  135.411   17.613  130.357   17.625  239.550   15.733  234.990   16.048 4.559479 22.47369 
1 1 1   13    6    6 o  225.026   11.121  119.543   11.695  117.595   16.525  121.498   16.554  223.172   15.843  226.880   15.612 -3.707870 22.24294 
1 1 1   13    6    7 o  226.049   11.112  120.698   11.736  116.995   16.577  124.419   16.617  222.539   15.939  229.559   15.488 -7.020630 22.22444 
1 1 1   13    6    8 o  167.454   7.8818   65.469   6.1271   62.456   8.1329   69.425   9.3175  163.066   10.672  171.843   11.602 -8.776596 15.76353 
1 1 1   13    6    9 o  167.866   8.9641   66.939   6.9268   70.352   9.1844   62.438   10.549  172.995   11.360  162.736   13.870 10.25804 17.92822 
1 1 1   13    6   10 o   81.579   9.3181   15.869   3.4572   13.803   4.7690   18.158   5.0188   75.317   14.066   87.841   12.225 -12.52431 18.63617 
1 1 1   13    6   11 o  280.725   15.427  195.933   19.272  157.445   30.415  221.753   24.912  255.620   25.459  305.830   17.429 -50.21004 30.85383 
1 1 1   13    6   12 o  151.252   12.219   52.018   7.6373   59.057   15.209   49.645   8.8315  157.345   20.682  145.160   13.018 12.18565 24.43839 
1 1 1   13    6   13 o  261.754   13.582  160.637   16.373  176.626   25.880  149.968   21.141  272.170   20.346  251.338   17.998 20.83168 27.16425 
1 1 1   13    6   14 o  138.144   9.5118   44.510   6.0577   47.863   9.5090   42.221   7.8587  142.396   14.289  133.893   12.559 8.502808 19.02359 
1 1 1   13    6   15 o  192.479   11.151   86.399   9.8840   94.865   15.627   80.753   12.761  200.078   16.712  184.880   14.769 15.19775 22.30258 
1 1 1   13    6   16 o  353.056   17.730  297.238   28.805  320.584   45.514  281.640   37.203  363.703   26.777  342.409   23.248 21.29346 35.46070 
1 1 1   13    6   17 o  325.762   18.983  257.748   28.847  275.530   40.850  240.059   40.743  337.394   25.907  314.129   27.752 23.26590 37.96502 
1 1 1   13    6   18 o  400.444   22.527  396.324   42.070  368.258   59.506  424.371   59.486  385.448   33.033  415.439   30.638 -29.99063 45.05437 
1 1 1   13    6   19 o  170.911   14.520   69.937   10.952   69.973   18.861   69.919   13.453  170.258   23.703  171.565   16.778 -1.306976 29.04026 
1 1 1   13    6   20 o  126.408   14.627   43.402   6.9721   30.763   13.536   47.967   8.1342  110.211   26.586  142.606   12.205 -32.39486 29.25397 
1 1 1   13    6   21 o  252.857   14.205  156.018   16.274  141.950   25.709  165.424   21.022  242.249   22.708  263.464   17.073 -21.21509 28.41001 
1 1 1   13    6   22 o  386.850   19.532  370.802   34.476  362.290   54.517  376.476   44.506  380.758   30.637  392.943   24.235 -12.18488 39.06325 
1 1 1   13    6   23 o  139.844   11.650   50.176   7.0168   34.684   11.172   60.267   9.0170  119.995   19.922  159.693   12.082 -39.69753 23.29946 
1 1 1   13    6   24 o  231.491   10.766  125.750   11.430  118.915   14.643  136.410   18.286  223.871   13.996  239.111   16.364 -15.23976 21.53278 
1 1 1   13    6   25 o  140.262   12.947   46.970   6.9354   46.792   7.8172   47.627   15.032  140.709   11.887  139.816   23.004 0.8924255 25.89425 
1 1 1   13    6   26 o  158.176   12.238   54.760   7.7413   50.406   8.7502   70.438   16.606  145.853   12.837  170.499   20.841 -24.64639 24.47694 
1 1 1   13    6   27 o  199.846   19.177   99.469   17.903   95.811   25.188  103.204   25.453  195.956   27.503  203.735   26.731 -7.778259 38.35364 
1 1 1   13    6   28 o  134.786   15.445   46.848   8.7695   39.383   14.836   50.857   10.872  123.775   26.450  145.797   15.956 -22.02273 30.88977 
1 1 1   13    6   29 o  125.905   15.359   39.017   8.4157   40.568   14.246   38.185   10.430  125.949   25.083  125.861   17.732 0.8786011E-01 30.71788 
1 1 1   13    6   30 o  151.760   17.399   58.114   11.895   70.322   17.197   46.916   16.471  169.137   21.755  134.382   27.160 34.75581 34.79838 
1 1 1   13    6   31 f  103.894   13.980   29.217   5.6605   31.642   6.5672   22.208   11.165  115.346   12.182   92.441   25.166 22.90488 27.95996 
1 1 1   13    6   32 o   93.274   11.845   23.662   4.6534   29.193   5.8993   14.551   7.5709  110.885   11.384   75.663   20.776 35.22247 23.69038 
1 1 1   13    6   33 o  123.716   10.284   36.556   5.8138   36.196   7.4642   37.112   9.2702  123.252   12.958  124.180   15.973 -0.9275131 20.56846 
1 1 1   13    6   34 o  280.373   20.772  198.255   25.854  188.282   31.682  218.136   44.732  273.901   24.750  286.845   33.368 -12.94446 41.54472 
1 1 1   13    6   35 f  148.256   17.684   56.327   11.853   46.517   16.426   66.988   17.122  132.622   27.407  163.889   22.355 -31.26643 35.36797 
1 1 1   13    6   36 o  139.579   13.976   48.058   8.6987   48.536   14.653   47.798   10.809  138.950   22.565  140.209   16.496 -1.259094 27.95152 
1 1 1   13    6   37 o   87.846   12.463   20.533   4.8094   24.187   6.1043   14.553   7.8095  100.459   13.002   75.233   21.266 25.22562 24.92597 
1 1 1   13    6   38 o  162.584   10.976   64.199   8.1458   65.123   10.509   62.809   12.892  164.686   13.655  160.481   17.189 4.204987 21.95257 
1 1 1   13    6   39 o   54.202   12.648   7.0285   3.9990   9.9082   4.9240   1.4488   6.8541   62.722   16.556   45.683   19.126 17.03816 25.29642 
1 1 1   13    6   40 o   88.816   11.840   19.643   4.6834   20.152   6.0154   18.860   7.4628   91.562   14.058   86.070   19.056 5.491943 23.67992 
1 1 1   13    6   41 o   53.752   14.002   5.4061   4.7949   9.0502   6.9452   2.0874   6.6280   61.400   20.562   46.105   19.012 15.29538 28.00423 
1 1 1   13    6   42 o   49.624   12.498   2.1242   4.4654  -6.0575   6.1562   11.209   6.4869   33.008   15.531   66.239   19.586 -33.23176 24.99687 
1 1 1   13    6   43 o  146.258   12.067   52.478   8.1809   61.307   11.790   44.280   11.361  158.579   15.908  133.936   18.150 24.64366 24.13494 
1 1 1   13    6   44 o  132.390   13.128   47.815   7.1092   57.894   9.0675   31.734   11.453  155.176   12.503  109.604   23.088 45.57134 26.25631 
1 1 1   13    6   45 o   39.753   12.335  -0.8115   4.3831  -0.7940   5.9160  -0.8327   6.5260   38.810   17.019   40.696   17.860 -1.886086 24.67085 
1 1 1   13    6   46 o  101.204   16.738   26.806   7.3775   30.457   13.090   25.107   8.9311  104.454   26.710   97.954   20.181 6.499954 33.47662 
1 1 1   13    6   47 o  106.982   26.258   31.978   13.031   0.0000   0.0000   31.978   13.031  ?   ?   106.982   26.258      ?      ? 
1 1 1   13    6   48 o   89.477   21.535   21.547   8.8967   21.547   8.8967   0.0000   0.0000   89.477   21.535  ?   ?       ?      ? 
1 1 1   13    6   49 o   60.940   15.478   6.7292   6.8979   16.332   8.8073  -8.5072   11.094   77.325   22.810   44.555   20.928 32.77008 30.95593 
1 1 1   13    6   50 o   55.382   16.278   3.4361   6.9475   8.2593   10.772   0.0005   9.0912   62.683   24.800   48.081   21.091 14.60220 32.55615 
1 1 1   13    6   51 o   74.785   17.591   16.295   7.4612   9.2567   13.149   19.638   9.0612   65.935   26.935   83.635   22.632 -17.70001 35.18118 
1 1 1   13    6   52 o   47.456   13.772   3.1242   4.9931   5.4153   6.7018   0.2660   7.4855   50.966   19.738   43.947   19.212 7.018890 27.54364 
1 1 1   13    6   53 o   69.853   15.914   14.023   5.8742   15.746   6.9050   9.5086   11.176   75.980   19.383   63.726   25.246 12.25389 31.82862 
1 1 1   13    6   54 o   57.495   15.690   7.0800   5.1939   5.8882   5.9034   11.163   10.927   50.174   18.735   64.815   25.174 -14.64115 31.38082 
1 1 1   13    6   55 o   66.764   16.549   13.278   6.3372   13.846   8.0454   12.351   10.286   68.391   22.093   65.137   24.644 3.253975 33.09742 
1 1 1   13    6   56 o   80.426   16.423   18.002   5.8380   16.454   6.6852   22.974   11.982   76.741   18.790   84.111   26.940 -7.369255 32.84533 
1 1 1   13    6   57 o   88.082   19.940   28.273   9.3558   31.033   13.086   25.386   13.381   93.374   27.867   82.790   28.529 10.58407 39.88043 
1 1 1   13    6   58 o   48.675   14.885  -0.2272   7.0010 -12.0349   9.8565   11.796   9.9459   36.237   17.696   61.112   23.939 -24.87479 29.77014 
1 1 1   13    6   59 o   42.481   14.041  -4.6566   7.2959 -14.3880   10.892   3.2637   9.8261   36.621   18.029   48.342   21.531 -11.72089 28.08261 
1 1 1   13    6   60 o   59.017   16.505   9.2755   7.9028  -4.1611   11.748   20.381   10.681   44.161   20.979   73.874   25.486 -29.71312 33.00957 
1 1 1   13    6   61 o   70.595   15.723   14.084   7.2907  -1.1507   9.5104   35.796   11.354   41.920   19.589   99.270   24.598 -57.35051 31.44538 
1 1 1   13    7    0 o  229.671   11.433  125.769   17.157  125.769   17.157  125.769   17.157  229.671   16.168  229.671   16.168 -0.000000 0.000000 
1 1 1   13    7    1 o  404.620   19.282  387.221   35.959  350.784   46.411  441.944   56.877  381.851   26.007  427.389   28.475 -45.53732 38.56422 
1 1 1   13    7    2 o  320.798   22.483  249.335   31.862  245.459   39.063  257.037   55.071  319.310   26.177  322.286   36.562 -2.976532 44.96691 
1 1 1   13    7    3 o  497.139   28.545  620.772   66.082  564.214   93.460  677.316   93.448  472.797   42.297  521.481   38.343 -48.68427 57.08958 
1 1 1   13    7    4 o  209.417   9.8910  103.255   9.5807  102.438   12.651  104.352   14.670  208.576   12.978  210.257   14.929 -1.681015 19.78205 
1 1 1   13    7    5 o  323.291   15.452  246.667   22.984  233.738   29.670  266.065   36.343  313.313   20.263  333.268   23.334 -19.95526 30.90365 
1 1 1   13    7    6 o  466.862   21.893  532.156   47.763  524.258   67.568  540.043   67.525  463.237   31.210  470.486   30.710 -7.248260 43.78522 
1 1 1   13    7    7 o  138.273   9.5337   44.500   5.9855   42.793   7.5479   47.392   9.8248  134.870   11.975  141.677   14.838 -6.807083 19.06744 
1 1 1   13    7    8 o   64.215   10.034   9.7076   3.0350   6.2587   4.0767   13.996   4.5458   51.331   15.607   77.099   12.616 -25.76734 20.06873 
1 1 1   13    7    9 o  146.403   8.7290   50.394   5.9651   46.964   8.2943   54.069   8.5850  141.230   12.566  151.576   12.119 -10.34657 17.45805 
1 1 1   13    7   10 o  502.569   25.818  627.635   59.389  623.691   76.677  633.548   93.890  503.738   32.570  501.400   40.068 2.338074 51.63535 
1 1 1   13    7   11 o  255.035   14.224  158.513   16.375  139.458   25.841  171.299   21.167  241.193   22.925  268.878   16.845 -27.68550 28.44777 
1 1 1   13    7   12 o  336.115   19.007  273.481   29.857  274.255   42.270  272.710   42.178  336.594   26.871  335.637   26.889 0.9565735 38.01410 
1 1 1   13    7   13 o   99.734   10.411   25.012   4.4630   19.236   7.0187   28.932   5.7826   88.544   17.581  110.924   11.155 -22.38036 20.82120 
1 1 1   13    7   14 o  114.630   10.888   33.610   5.2672   23.647   8.2668   40.418   6.8340   98.162   18.703  131.098   11.154 -32.93649 21.77636 
1 1 1   13    7   15 o  265.346   14.811  170.142   17.893  159.580   28.192  177.266   23.155  257.627   23.415  273.066   18.144 -15.43915 29.62175 
1 1 1   13    7   16 f  265.967   14.077  167.443   17.217  176.654   27.161  161.257   22.260  271.595   21.398  260.339   18.296 11.25500 28.15353 
1 1 1   13    7   17 o  220.071   13.942  115.714   14.332  120.257   20.282  111.183   20.254  224.480   19.332  215.663   20.095 8.816696 27.88490 
1 1 1   13    7   18 o  201.602   12.902   96.886   12.155   95.987   17.287   97.765   17.093  200.635   18.436  202.568   18.055 -1.933212 25.80453 
1 1 1   13    7   19 o  105.746   15.791   27.290   7.7320   19.882   10.547   35.895   11.368   89.100   24.545  122.392   19.875 -33.29192 31.58267 
1 1 1   13    7   20 o  132.715   13.209   40.894   7.9480   47.333   13.279   37.300   9.9212  140.335   20.247  125.095   16.970 15.24016 26.41856 
1 1 1   13    7   21 o  222.408   13.773  119.310   14.218  103.306   20.060  135.461   20.153  206.955   20.740  237.861   18.129 -30.90651 27.54697 
1 1 1   13    7   22 o   71.881   15.547   11.085   5.4301   8.1536   6.5154   17.752   9.8258   59.630   19.915   84.132   23.879 -24.50263 31.09417 
1 1 1   13    7   23 o  128.383   16.505   40.026   9.6097   32.404   12.746   50.064   14.628  113.048   24.806  143.718   21.779 -30.67015 33.01005 
1 1 1   13    7   24 o  320.361   25.187  271.054   34.659  285.022   42.429  243.041   60.086  339.597   26.733  301.126   42.695 38.47144 50.37425 
1 1 1   13    7   25 o  119.343   18.250   36.344   9.8824   37.311   14.084   35.407   13.870  120.972   25.704  117.715   25.914 3.256989 36.49959 
1 1 1   13    7   26 o  156.040   13.515   57.826   9.8561   0.0000   0.0000   57.826   9.8561  ?   ?   156.040   13.515      ?      ? 
1 1 1   13    7   27 o  116.456   10.451   31.831   5.6431   36.984   8.6440   28.003   7.4495  124.530   14.852  108.382   14.707 16.14798 20.90205 
1 1 1   13    7   28 o  166.250   14.830   66.866   10.736   68.929   19.072   65.908   12.989  166.859   24.457  165.641   16.779 1.217422 29.65906 
1 1 1   13    7   29 o  202.657   13.683   93.923   12.265   82.718   14.772  118.787   22.005  185.245   17.063  220.070   21.396 -34.82507 27.36650 
1 1 1   13    7   30 o  110.630   14.295   27.048   6.7890   21.699   8.0182   40.595   12.760   92.839   19.117  128.422   21.260 -35.58315 28.59089 
1 1 1   13    7   31 o  211.859   10.369  105.885   10.058   99.214   12.825  116.542   16.210  203.768   13.468  219.949   15.769 -16.18068 20.73756 
1 1 1   13    7   32 o  249.605   15.487  153.835   18.065  152.607   25.460  155.080   25.638  248.594   21.914  250.616   21.889 -2.021378 30.97365 
1 1 1   13    7   33 o  308.374   23.543  248.642   31.918  243.417   39.062  259.140   55.369  309.682   26.990  307.066   38.582 2.615295 47.08539 
1 1 1   13    7   34 o  210.767   16.217  105.020   15.312   91.403   18.711  132.633   26.643  192.397   20.809  229.137   24.880 -36.74037 32.43490 
1 1 1   13    7   35 o  113.649   18.030   34.125   9.3316   34.612   12.861   33.583   13.560  114.890   24.688  112.408   26.283 2.482216 36.05946 
1 1 1   13    7   36 o  161.661   20.008   84.878   12.859   34.649   22.183  110.296   15.781  110.107   36.748  213.216   15.837 -103.1087 40.01513 
1 1 1   13    7   37 o   94.921   11.581   22.956   4.7839   25.218   6.1197   19.401   7.6710  102.653   12.756   87.190   19.332 15.46343 23.16144 
1 1 1   13    7   38 o   95.015   11.415   22.905   4.6788   24.629   5.8937   19.967   7.6943  101.506   12.424   88.525   19.154 12.98003 22.83053 
1 1 1   13    7   39 o  108.882   12.510   29.455   6.1639   34.029   8.7743   24.998   8.6610  118.510   15.842   99.254   19.367 19.25655 25.02080 
1 1 1   13    7   40 o  202.756   13.561  101.671   12.707  119.762   18.140   84.238   17.807  221.400   17.531  184.111   20.695 37.28926 27.12245 
1 1 1   13    7   41 o  158.631   15.316   60.499   10.649   73.203   19.297   54.936   12.770  168.289   24.535  148.974   18.341 19.31468 30.63267 
1 1 1   13    7   42 o  175.785   11.777   78.719   9.1781   88.790   11.825   63.457   14.557  192.027   13.176  159.543   19.523 32.48352 23.55339 
1 1 1   13    7   43 o  129.739   10.184   39.103   6.0417   32.731   7.6475   49.683   9.8550  116.356   14.063  143.122   14.734 -26.76550 20.36795 
1 1 1   13    7   44 o  126.315   13.033   34.500   6.6930   29.727   7.5712   51.569   14.317  110.463   14.666  142.168   21.548 -31.70462 26.06557 
1 1 1   13    7   45 o   80.019   16.879   16.113   6.2233   14.729   7.2661   19.923   12.057   74.869   20.269   85.168   26.997 -10.29961 33.75874 
1 1 1   13    7   46 o   39.062   16.920  -0.1204   5.6951  -0.1204   5.6951   0.0000   0.0000   39.062   16.920  ?   ?       ?      ? 
1 1 1   13    7   47 o   94.423   21.239   23.795   9.1456   23.795   9.1456   0.0000   0.0000   94.423   21.239  ?   ?       ?      ? 
1 1 1   13    7   48 o   53.636   18.496   6.9194   5.6249   6.9194   5.6249   0.0000   0.0000   53.636   18.496  ?   ?       ?      ? 
1 1 1   13    7   49 o  102.033   16.670   29.139   7.5145   30.118   9.2573   27.246   12.867  107.190   19.184   96.875   27.267 10.31541 33.33912 
1 1 1   13    7   50 o   63.748   17.020   9.6666   6.7552   9.6207   11.297   9.6921   8.4279   65.094   25.510   62.402   22.538 2.692017 34.04021 
1 1 1   13    7   51 o   63.207   17.343   9.3606   7.7148   1.2659   13.008   13.753   9.5819   56.144   24.902   70.270   24.145 -14.12593 34.68568 
1 1 1   13    7   52 o   67.522   16.771   12.372   6.5841   13.642   9.0689   10.957   9.5743   70.071   23.496   64.974   23.937 5.097664 33.54147 
1 1 1   13    7   53 o   39.686   12.642  -1.6945   4.4906  -2.6115   5.3453   0.5051   8.2788   33.444   15.289   45.928   20.137 -12.48465 25.28402 
1 1 1   13    7   54 o   46.891   18.492   4.5152   5.9711   4.5152   5.9711   0.0000   0.0000   46.891   18.492  ?   ?       ?      ? 
1 1 1   13    7   55 o  104.950   14.239   28.510   6.3687   23.679   7.6457   39.458   11.510   92.854   18.269  117.047   21.845 -24.19242 28.47767 
1 1 1   13    7   56 o   60.989   15.060   9.5918   4.9104   7.6893   5.8344   14.212   9.0926   53.649   18.818   68.330   23.518 -14.68118 30.11988 
1 1 1   13    7   57 o   69.202   15.146   12.885   5.0843   9.2105   6.0327   21.897   9.4466   56.396   19.162   82.008   23.462 -25.61192 30.29257 
1 1 1   13    7   58 o   42.779   12.742   0.9946   4.8507  -6.2101   7.0213   7.5731   6.7093   33.405   15.966   52.154   19.862 -18.74965 25.48400 
1 1 1   13    7   59 o   47.993   13.402   3.9773   5.4077   11.326   6.8449  -8.2263   8.8207   60.011   20.411   35.974   17.374 24.03602 26.80389 
1 1 1   13    7   60 o   80.128   19.207   26.293   8.6589   24.813   13.779   27.258   11.131   75.062   28.494   85.194   25.765 -10.13228 38.41493 
1 1 1   13    7   61 o   63.709   26.403   18.017   12.874   18.017   12.874   0.0000   0.0000   63.709   26.403  ?   ?       ?      ? 
1 1 1   13    8    0 o   94.625   10.416   22.481   6.0440   22.481   6.0440   22.481   6.0440   94.625   14.730   94.625   14.730 -0.000000 0.000000 
1 1 1   13    8    1 o  121.244   12.397   36.342   6.3927   38.549   7.9297   32.243   10.804  127.905   13.266  114.583   20.948 13.32182 24.79496 
1 1 1   13    8    2 o  100.273   14.141   24.819   6.3713   23.912   9.4232   25.583   8.6475   98.309   21.138  102.236   18.791 -3.926758 28.28290 
1 1 1   13    8    3 o  230.019   20.636  129.234   22.041  113.681   31.300  144.532   31.044  215.632   31.059  244.406   27.178 -28.77473 41.27156 
1 1 1   13    8    4 o  136.532   10.638   44.064   6.7766   47.269   9.6243   40.912   9.5433  141.507   14.553  131.557   15.522 9.950150 21.27698 
1 1 1   13    8    5 o  181.335   12.153   77.989   10.290   74.318   14.571   81.642   14.534  177.011   17.613  185.660   16.751 -8.648529 24.30676 
1 1 1   13    8    6 o  154.930   13.638   57.814   9.1675   59.098   11.147   55.131   16.114  158.156   15.081  151.704   22.728 6.452560 27.27636 
1 1 1   13    8    7 f  257.713   16.683  155.223   17.413  151.092   20.016  168.072   35.306  252.507   16.962  262.920   28.733 -10.41345 33.36612 
1 1 1   13    8    8 o  212.711   17.001  116.337   13.897  123.299   15.989   94.830   28.101  228.447   14.976  196.976   30.526 31.47163 34.00171 
1 1 1   13    8    9 o  263.245   17.318  162.872   18.494  159.002   21.293  174.757   37.311  258.869   17.600  267.621   29.831 -8.752136 34.63649 
1 1 1   13    8   10 o  273.488   16.197  166.842   18.358  153.630   21.139  207.381   37.028  254.401   17.780  292.576   27.080 -38.17537 32.39491 
1 1 1   13    8   11 o  396.591   30.218  409.289   51.774  425.356   63.373  377.043   89.778  415.555   32.631  377.628   50.870 37.92651 60.43633 
1 1 1   13    8   12 o  265.378   15.162  168.490   18.802  171.143   26.566  165.826   26.615  267.527   21.247  263.228   21.635 4.299133 30.32349 
1 1 1   13    8   13 o  434.168   24.806  470.155   50.121  517.076   70.895  423.267   70.870  457.279   33.173  411.056   36.891 46.22281 49.61260 
1 1 1   13    8   14 o  269.959   15.536  174.867   19.577  164.985   27.653  184.797   27.719  262.116   22.574  277.802   21.350 -15.68652 31.07133 
1 1 1   13    8   15 o  352.554   20.112  303.758   33.121  292.721   46.760  314.870   46.922  345.861   28.929  359.248   27.947 -13.38690 40.22312 
1 1 1   13    8   16 o  203.003   12.883   98.416   12.190  105.082   17.094   91.519   17.388  210.185   17.403  195.820   19.000 14.36427 25.76526 
1 1 1   13    8   17 o  225.579   17.441  124.578   17.221  126.893   21.108  119.971   29.779  230.267   19.614  220.892   28.846 9.375397 34.88290 
1 1 1   13    8   18 o  196.010   14.594   87.263   12.816   75.743   15.654  110.681   22.319  177.933   18.825  214.087   22.307 -36.15413 29.18856 
1 1 1   13    8   19 o  120.871   22.831   36.466   12.424   36.466   12.424   0.0000   0.0000  120.871   22.831  ?   ?       ?      ? 
1 1 1   13    8   20 o  144.253   17.046   51.650   11.180   54.280   15.368   48.695   16.293  149.670   21.971  138.835   26.068 10.83510 34.09190 
1 1 1   13    8   21 o  158.879   11.688   60.369   8.6596   57.140   12.415   63.428   12.084  154.599   17.183  163.159   15.848 -8.560059 23.37561 
1 1 1   13    8   22 o  356.490   25.732  322.996   40.459  343.716   70.320  312.743   49.467  359.448   41.860  353.531   29.939 5.916718 51.46474 
1 1 1   13    8   23 o  264.650   16.667  158.417   18.237  199.538   36.945  145.169   20.970  283.367   27.898  245.933   18.244 37.43372 33.33377 
1 1 1   13    8   24 o  102.880   14.671   24.041   5.6952   30.016   12.882   22.589   6.3495  108.250   25.823   97.509   13.933 10.74105 29.34249 
1 1 1   13    8   25 o  148.309   16.956   59.883   9.0160   46.244   18.991   63.851   10.244  132.630   31.166  163.988   13.366 -31.35822 33.91162 
1 1 1   13    8   26 o  155.542   12.556   53.267   7.9416   68.673   16.611   48.703   9.0419  167.937   21.164  143.146   13.516 24.79059 25.11190 
1 1 1   13    8   27 o  114.235   14.689   29.215   6.9780   40.305   13.603   25.255   8.1291  125.975   23.980  102.494   16.971 23.48115 29.37777 
1 1 1   13    8   28 f  104.238   16.018   29.912   6.9845   21.010   13.357   33.262   8.1942   90.577   28.375  117.899   14.871 -27.32198 32.03632 
1 1 1   13    8   29 o  158.634   14.199   60.728   10.219   58.061   12.872   65.274   16.806  154.763   17.797  162.505   22.129 -7.742401 28.39714 
1 1 1   13    8   30 o  153.290   12.636   58.135   7.5001   59.051   8.5494   55.076   15.626  157.653   11.604  148.928   22.450 8.724899 25.27136 
1 1 1   13    8   31 o  312.487   22.711  278.776   26.383  301.868   30.447  209.167   52.863  352.343   18.490  272.631   41.489 79.71188 45.42229 
1 1 1   13    8   32 o  184.906   16.058   88.281   11.519   91.691   13.246   77.705   23.327  195.686   14.484  174.127   28.665 21.55835 32.11614 
1 1 1   13    8   33 o  130.833   10.329   34.703   5.5858   28.420   6.3488   56.233   11.752  109.195   12.441  152.471   16.493 -43.27573 20.65857 
1 1 1   13    8   34 o  108.072   13.755   30.268   5.6818   31.226   6.5160   27.229   11.606  114.391   12.188  101.754   24.663 12.63680 27.51054 
1 1 1   13    8   35 o  312.065   26.862  272.651   36.765  263.431   44.922  291.356   63.981  314.093   30.602  310.037   44.157 4.056519 53.72458 
1 1 1   13    8   36 o   75.247   16.600   13.802   7.1633   21.993   9.7876   4.3540   10.512   91.789   22.893   58.705   24.044 33.08413 33.19987 
1 1 1   13    8   37 o  170.096   16.147   73.409   11.990   74.680   14.691   70.875   20.746  174.627   18.001  165.564   26.812 9.063782 32.29480 
1 1 1   13    8   38 o  239.461   24.796  159.622   26.737  135.192   37.850  183.957   37.775  216.133   38.902  262.789   30.758 -46.65590 49.59236 
1 1 1   13    8   39 o  156.979   18.423   70.828   11.575   83.176   14.212   46.503   19.947  185.064   16.432  128.893   32.979 56.17165 36.84565 
1 1 1   13    8   40 o   58.660   15.033   7.3171   5.6295   11.071   7.1654   1.2635   9.0994   66.319   20.785   51.000   21.726 15.31818 30.06679 
1 1 1   13    8   41 o   43.582   13.462   0.5501   4.2392   1.0571   4.6904  -1.7112   9.9056   38.107   15.877   49.056   21.746 -10.94911 26.92492 
1 1 1   13    8   42 o   66.310   16.087   9.9069   5.9284   7.1986   7.5219   14.348   9.6321   57.820   21.230   74.799   24.174 -16.97846 32.17308 
1 1 1   13    8   43 o   63.170   17.542   6.4666   7.7753   12.615   11.521   1.3236   10.537   72.342   26.317   53.999   23.200 18.34226 35.08348 
1 1 1   13    8   44 o  151.711   19.811   63.129   13.739   68.595   19.663   57.915   19.205  160.224   26.259  143.197   29.672 17.02660 39.62249 
1 1 1   13    8   45 o   83.339   17.245   18.519   8.0987   5.9149   11.856   29.546   11.089   61.924   25.469  104.754   23.257 -42.83023 34.49001 
1 1 1   13    8   46 o  149.514   29.875   64.168   20.145   64.168   20.145   0.0000   0.0000  149.514   29.875  ?   ?       ?      ? 
1 1 1   13    8   47 o  126.898   19.926   41.339   11.817   41.339   11.817   0.0000   0.0000  126.898   19.926  ?   ?       ?      ? 
1 1 1   13    8   48 o   48.758   14.886  -0.5234   6.6436   5.5378   8.5985  -9.5018   10.465   55.292   22.069   42.224   19.984 13.06720 29.77190 
1 1 1   13    8   49 o   82.519   18.516   18.247   8.0300   26.218   12.759   13.018   10.333   94.729   27.315   70.309   25.006 24.41980 37.03270 
1 1 1   13    8   50 o   95.176   19.305   28.453   9.6214   17.664   15.178   35.700   12.440   78.408   29.871  111.944   24.462 -33.53609 38.60904 
1 1 1   13    8   51 o   85.347   16.564   19.905   7.2681   10.694   9.6902   31.752   10.989   64.470   24.017  106.224   22.817 -41.75406 33.12757 
1 1 1   13    8   52 o   59.224   15.878   8.1512   6.0109   6.3532   7.9443   10.559   9.1930   54.657   21.400   63.792   23.463 -9.135067 31.75585 
1 1 1   13    8   53 o   48.545   19.769   4.1572   7.0551   4.1572   7.0551   0.0000   0.0000   48.545   19.769  ?   ?       ?      ? 
1 1 1   13    8   54 o   70.560   15.506   15.065   5.8990   18.554   7.7774   10.340   9.0518   79.950   20.665   61.169   23.124 18.78083 31.01236 
1 1 1   13    8   55 o   86.522   19.073   24.584   8.5275   22.613   14.169   25.704   10.678   81.519   29.251   91.524   24.485 -10.00462 38.14568 
1 1 1   13    8   56 o   76.829   16.393   19.493   6.6885   23.313   8.6498   13.812   10.548   87.890   21.285   65.767   24.938 22.12291 32.78651 
1 1 1   13    8   57 o   54.217   16.250   6.7845   6.8883   9.2900   11.504   5.3841   8.6005   58.043   24.565   50.391   21.278 7.652302 32.49917 
1 1 1   13    8   58 o   59.645   13.603   9.5204   5.4288   19.588   7.4878  -1.6360   7.8825   79.564   20.123   39.726   18.310 39.83768 27.20680 
1 1 1   13    8   59 o   57.790   15.635   9.8272   6.5525   1.6451   9.7435   16.583   8.8534   46.262   20.950   69.317   23.215 -23.05521 31.27066 
1 1 1   13    8   60 o   57.142   16.338   11.210   6.7133   13.397   10.172   9.5222   8.9359   60.025   23.987   54.258   22.190 5.767414 32.67686 
1 1 1   13    9    0 o  126.435   8.0642   38.375   6.6128   38.375   6.6128   38.375   6.6128  126.435   11.404  126.435   11.404 -0.000000 0.000000 
1 1 1   13    9    1 o  229.342   10.787  124.364   11.553  129.980   16.365  118.783   16.314  234.561   14.928  224.123   15.575 10.43835 21.57367 
1 1 1   13    9    2 o  159.769   9.5597   60.266   6.9601   59.826   11.131   60.548   8.9187  159.129   14.967  160.410   11.897 -1.280945 19.11936 
1 1 1   13    9    3 o  469.621   30.960  558.682   58.400  573.779  116.894  553.661   67.417  463.192   53.999  476.051   30.302 -12.85959 61.92056 
1 1 1   13    9    4 f  305.594   15.708  225.249   21.875  215.469   34.582  231.771   28.242  299.146   24.736  312.042   19.366 -12.89655 31.41514 
1 1 1   13    9    5 o   94.627   9.5260   21.227   4.1893   19.497   6.0790   22.792   5.7814   90.881   14.312   98.373   12.575 -7.491333 19.05205 
1 1 1   13    9    6 o  120.564   8.8054   33.920   4.8517   35.689   7.8025   32.805   6.1950  123.016   13.571  118.112   11.223 4.904579 17.61079 
1 1 1   13    9    7 o  334.239   19.106  270.706   29.842  266.923   42.185  274.496   42.222  331.820   27.203  336.657   26.836 -4.837006 38.21163 
1 1 1   13    9    8 o  135.235   10.657   43.292   6.6055   32.835   9.0838   55.027   9.6227  117.722   16.511  152.748   13.480 -35.02630 21.31448 
1 1 1   13    9    9 o  242.298   14.611  140.664   16.450  123.326   23.213  158.155   23.315  226.930   21.887  257.665   19.361 -30.73410 29.22165 
1 1 1   13    9   10 o  218.473   15.776  110.939   15.279  103.868   18.593  125.645   26.814  208.841   19.050  228.105   25.153 -19.26392 31.55284 
1 1 1   13    9   11 o  349.715   19.463  297.508   31.794  286.606   44.934  308.438   44.993  343.046   28.027  356.385   27.013 -13.33902 38.92606 
1 1 1   13    9   12 o  374.138   21.168  343.442   36.990  356.718   52.295  330.150   52.328  381.740   29.313  366.534   30.548 15.20578 42.33658 
1 1 1   13    9   13 o  262.465   19.045  168.520   21.939  170.349   26.908  164.893   37.891  266.464   21.607  258.465   31.368 7.998901 38.08972 
1 1 1   13    9   14 o  122.936   10.777   35.811   6.1880   35.935   8.6104   35.679   8.8989  123.186   14.956  122.685   15.520 0.5016861 21.55391 
1 1 1   13    9   15 o  492.151   28.824  625.902   66.154  668.833   93.548  582.956   93.564  510.824   39.185  473.478   42.283 37.34628 57.64825 
1 1 1   13    9   16 o  185.410   12.228   81.938   10.595   80.481   14.951   83.409   15.016  183.728   17.412  187.091   17.173 -3.363602 24.45572 
1 1 1   13    9   17 o  221.840   16.951  117.658   16.713  113.164   20.513  126.534   28.828  216.907   20.235  226.772   27.201 -9.864975 33.90181 
1 1 1   13    9   18 o  258.850   22.681  168.787   27.426  163.692   38.795  173.877   38.778  254.637   32.600  263.064   31.542 -8.427383 45.36104 
1 1 1   13    9   19 o  405.874   37.735  470.697   71.311  432.271  100.853  509.116  100.844  385.614   55.962  426.134   50.636 -40.51932 75.47018 
1 1 1   13    9   20 f  173.458   23.838   73.443   19.325   0.0000   0.0000   73.443   19.325  ?   ?   173.458   23.838      ?      ? 
1 1 1   13    9   21 o  218.317   17.631  117.045   16.773  116.421   29.462  117.344   20.401  215.970   29.189  220.664   19.783 -4.694305 35.26141 
1 1 1   13    9   22 o  111.313   14.042   28.493   6.7210   36.160   12.156   25.116   8.0660  120.158   22.472  102.468   16.843 17.69034 28.08391 
1 1 1   13    9   23 o  224.811   18.072  126.822   17.541  119.136   30.795  130.512   21.341  217.195   30.338  232.427   19.647 -15.23184 36.14403 
1 1 1   13    9   24 o  103.624   15.104   26.817   6.6289   26.029   12.126   27.152   7.9166  100.675   25.687  106.574   15.894 -5.899330 30.20717 
1 1 1   13    9   25 o  147.323   13.960   49.406   9.0028   61.972   16.491   44.071   10.745  159.163   22.170  135.483   16.970 23.67986 27.91940 
1 1 1   13    9   26 o  162.258   17.157   65.127   13.000   67.644   18.843   62.842   17.960  165.191   24.407  159.326   24.119 5.864380 34.31434 
1 1 1   13    9   27 o  268.312   20.369  183.087   24.083  182.033   29.602  185.149   41.417  271.033   23.370  265.592   33.367 5.440155 40.73729 
1 1 1   13    9   28 o  153.569   13.480   55.390   9.2999   50.300   11.451   65.251   15.938  144.248   16.986  162.889   20.937 -18.64058 26.96095 
1 1 1   13    9   29 o  145.678   11.820   51.752   7.9555   43.676   11.365   59.510   11.140  134.000   18.148  157.357   15.148 -23.35645 23.63913 
1 1 1   13    9   30 o   45.263   12.769   3.0916   2.8236   3.2342   2.9797   1.8368   8.8395   38.727   13.455   51.799   21.706 -13.07222 25.53818 
1 1 1   13    9   31 o  127.048   14.636   43.909   6.6728   46.815   7.5802   33.906   14.065  140.441   11.549  113.656   26.897 26.78509 29.27188 
1 1 1   13    9   32 o  101.167   14.244   23.024   6.4363   15.446   7.9008   37.975   11.098   77.752   21.172  124.582   19.061 -46.82960 28.48806 
1 1 1   13    9   33 o  166.031   15.565   69.395   11.350   70.591   13.979   67.082   19.444  170.092   17.585  161.971   25.687 8.120621 31.12918 
1 1 1   13    9   34 o  165.758   13.226   65.196   9.6093   60.882   11.567   74.808   17.264  158.497   15.615  173.019   21.351 -14.52188 26.45163 
1 1 1   13    9   35 o  155.284   17.697   62.412   12.401   51.958   17.355   73.315   17.725  139.606   27.579  170.962   22.184 -31.35596 35.39375 
1 1 1   13    9   36 o  217.900   20.836  125.156   21.172  115.384   29.639  135.339   30.255  208.389   30.433  227.410   28.467 -19.02135 41.67182 
1 1 1   13    9   37 f  173.636   20.560   96.805   13.885  125.547   17.138   41.886   23.690  227.451   16.122  119.821   37.827 107.6304 41.11927 
1 1 1   13    9   38 o  185.820   16.384   86.063   13.411   84.264   16.401   89.693   23.296  185.137   18.956  186.503   26.728 -1.366302 32.76726 
1 1 1   13    9   39 o   74.002   15.035   12.211   4.5110   11.042   4.9779   17.577   10.669   66.084   16.235   81.919   25.310 -15.83541 30.06972 
1 1 1   13    9   40 f  252.877   14.667  153.171   15.082  145.220   17.318  178.130   30.685  244.233   15.173  261.522   25.106 -17.28813 29.33442 
1 1 1   13    9   41 o  163.269   12.848   63.398   8.3178   61.292   9.4667   70.530   17.419  159.777   12.678  166.762   22.351 -6.985352 25.69595 
1 1 1   13    9   42 o   92.989   15.350   25.826   5.8809   28.816   6.6085   14.445   12.893  109.357   12.930   76.620   27.845 32.73777 30.70097 
1 1 1   13    9   43 o   40.422   12.456   0.0865   4.1964   2.7856   4.6265 -12.4389   9.9664   41.620   16.321   39.223   18.820 2.396824 24.91148 
1 1 1   13    9   44 o   87.193   15.373   21.064   6.1540   23.338   7.3599   15.778   11.220   97.208   16.200   77.178   26.132 20.03057 30.74647 
1 1 1   13    9   45 o   66.023   19.211   11.336   6.2851   11.336   6.2851   0.0000   0.0000   66.023   19.211  ?   ?       ?      ? 
1 1 1   13    9   46 o   97.144   13.753   23.070   6.2440   23.070   6.2440   0.0000   0.0000   97.144   13.753  ?   ?       ?      ? 
1 1 1   13    9   47 o   85.863   15.922   18.302   6.1572   14.427   7.4197   26.874   11.034   73.376   20.724   98.351   24.177 -24.97574 31.84360 
1 1 1   13    9   48 o   90.643   14.728   22.042   5.7786   22.447   6.8624   21.056   10.714   94.985   15.459   86.301   25.073 8.683846 29.45560 
1 1 1   13    9   49 o   99.573   17.882   24.234   8.8703   50.009   15.108   10.675   10.958  132.963   25.235   66.184   25.341 66.77862 35.76302 
1 1 1   13    9   50 o   76.661   17.875   13.177   7.8787   30.226   13.290   3.9377   9.7832   99.492   27.609   53.830   22.710 45.66160 35.74929 
1 1 1   13    9   51 o   54.807   14.504   3.7555   5.7988  -5.0937   7.9200   13.981   8.5135   38.805   18.047   70.809   22.711 -32.00399 29.00834 
1 1 1   13    9   52 o   44.124   13.809  -0.2542   5.6351  -1.0315   8.0130   0.5064   7.9262   43.239   19.337   45.008   19.720 -1.768539 27.61876 
1 1 1   13    9   53 o   65.627   15.934   11.353   6.3094   4.7855   8.4770   19.511   9.4473   51.376   21.370   79.877   23.641 -28.50097 31.86818 
1 1 1   13    9   54 o   89.364   14.054   24.436   6.7290   39.167   9.0527   6.2476   10.059  122.832   15.770   55.896   23.267 66.93665 28.10715 
1 1 1   13    9   55 o   48.419   12.224   0.8582   4.3168  -7.3077   5.5194   13.723   6.9277   28.378   13.714   68.460   20.240 -40.08253 24.44889 
1 1 1   13    9   56 o   73.156   15.033   16.546   5.1849   16.531   6.1045   16.586   9.8234   76.103   17.525   70.209   24.429 5.894333 30.06515 
1 1 1   13    9   57 o   79.024   15.769   21.586   6.5111   26.402   8.3466   14.100   10.407   93.882   19.654   64.167   24.665 29.71531 31.53785 
1 1 1   13    9   58 o   69.680   18.231   18.473   7.9693   16.183   13.196   19.787   9.9984   65.206   26.850   74.154   24.667 -8.948090 36.46113 
1 1 1   13    9   59 o   48.608   13.260   0.8179   5.9469 -19.5188   9.2700   15.041   7.7525   30.432   15.248   66.784   21.697 -36.35217 26.51922 
1 1 1   13    9   60 o   35.905   17.026  -3.8658   7.6690  -3.8658   7.6690   0.0000   0.0000   35.905   17.026  ?   ?       ?      ? 
1 1 1   13   10    0 o  506.628   21.707  620.674   72.074  620.674   72.074  620.674   72.074  506.628   30.698  506.628   30.698 -0.000000 0.000000 
1 1 1   13   10    1 o  280.124   13.377  186.768   17.508  191.557   24.780  181.994   24.741  283.772   18.685  276.475   19.148 7.296539 26.75367 
1 1 1   13   10    2 o  284.871   15.403  193.715   20.097  197.152   31.850  191.441   25.905  286.302   23.804  283.439   19.556 2.862885 30.80665 
1 1 1   13   10    3 o  366.265   21.105  328.331   36.063  307.227   51.046  349.362   50.957  353.942   30.859  378.587   28.800 -24.64481 42.21058 
1 1 1   13   10    4 o  362.453   18.586  315.072   30.953  334.400   48.998  302.236   39.929  370.615   28.289  354.291   24.115 16.32413 37.17225 
1 1 1   13   10    5 o  512.365   20.483  641.302   48.947  595.904   69.212  686.724   69.230  493.404   30.015  531.326   27.880 -37.92206 40.96554 
1 1 1   13   10    6 o  411.365   21.900  420.155   40.910  437.809   52.799  393.634   64.715  424.928   26.587  397.802   34.809 27.12561 43.80093 
1 1 1   13   10    7 o  389.901   18.425  356.940   33.055  297.666   42.627  446.341   52.351  350.568   26.018  429.234   26.097 -78.66614 36.85088 
1 1 1   13   10    8 o  210.372   11.818  105.563   11.334  107.695   14.601  102.332   17.979  213.428   14.639  207.316   18.556 6.111649 23.63511 
1 1 1   13   10    9 o  138.246   9.8170   45.594   6.1225   46.975   7.7776   43.343   9.9277  141.234   11.783  135.258   15.705 5.976212 19.63404 
1 1 1   13   10   10 o  133.741   13.235   43.186   6.6091   43.166   7.4845   43.256   14.083  135.368   11.831  132.114   23.679 3.254593 26.46980 
1 1 1   13   10   11 o  173.984   11.716   72.128   9.4753   80.667   13.410   63.614   13.390  184.469   15.555  163.500   17.524 20.96844 23.43141 
1 1 1   13   10   12 o  250.819   14.862  151.075   17.410  144.655   24.562  157.557   24.682  245.333   21.423  256.305   20.605 -10.97270 29.72375 
1 1 1   13   10   13 o  352.133   26.061  318.710   39.958  325.948   48.967  304.284   69.130  363.765   28.803  340.500   43.441 23.26443 52.12266 
1 1 1   13   10   14 f  264.430   17.953  160.581   21.316  136.547   26.094  208.788   36.957  237.246   23.534  291.615   27.117 -54.36865 35.90528 
1 1 1   13   10   15 o  187.758   15.657   88.650   12.695   95.424   15.652   75.629   21.701  200.043   16.742  175.472   26.462 24.57095 31.31365 
1 1 1   13   10   16 o  172.186   15.102   75.299   11.190   82.924   13.873   61.100   18.932  186.588   15.909  157.785   25.674 28.80270 30.20396 
1 1 1   13   10   17 o  143.283   16.901   50.987   10.823   65.613   15.721   37.810   14.922  164.912   20.398  121.653   26.955 43.25890 33.80275 
1 1 1   13   10   18 o  265.315   32.887  178.445   40.778   0.0000   0.0000  178.445   40.778  ?   ?   265.315   32.887      ?      ? 
1 1 1   13   10   19 o  132.869   15.527   42.046   9.6417   0.0000   0.0000   42.046   9.6417  ?   ?   132.869   15.527      ?      ? 
1 1 1   13   10   20 f  125.882   15.310   40.187   7.9011   36.383   14.416   41.821   9.4462  119.249   26.550  132.514   15.253 -13.26517 30.61956 
1 1 1   13   10   21 o  117.223   17.802   35.029   9.4512   34.574   13.738   35.438   13.023  116.233   25.946  118.214   24.382 -1.980194 35.60483 
1 1 1   13   10   22 o  140.452   15.041   48.081   8.8188   49.880   16.062   47.304   10.551  140.247   25.442  140.658   16.051 -0.4109802 30.08246 
1 1 1   13   10   23 o  154.118   16.076   60.336   10.192   55.117   18.299   62.683   12.272  146.431   27.755  161.806   16.228 -15.37524 32.15131 
1 1 1   13   10   24 o  260.996   23.424  176.311   28.552  184.545   40.640  168.285   40.122  267.481   32.510  254.511   33.732 12.97052 46.84793 
1 1 1   13   10   25 o  290.552   26.737  227.341   36.232  213.231   51.328  241.353   51.151  280.121   39.207  300.982   36.364 -20.86136 53.47455 
1 1 1   13   10   26 o  112.941   14.686   32.448   7.1209   33.881   8.7953   29.722   12.132  118.716   15.852  107.165   24.727 11.55113 29.37224 
1 1 1   13   10   27 o   94.034   12.595   22.032   5.3838   19.019   7.7865   24.791   7.4522   86.589   19.687  101.478   15.713 -14.88856 25.18905 
1 1 1   13   10   28 o  142.611   11.733   49.117   7.8009   53.807   11.185   44.673   10.886  149.398   16.019  135.824   17.149 13.57391 23.46683 
1 1 1   13   10   29 o  216.781   14.034  115.256   14.155  104.230   20.157  125.983   19.882  205.978   20.939  227.585   18.693 -21.60690 28.06879 
1 1 1   13   10   30 o  281.176   20.682  194.457   26.046  172.964   31.899  237.447   45.114  261.604   26.091  300.747   32.097 -39.14255 41.36375 
1 1 1   13   10   31 o  261.846   18.181  172.790   21.047  169.860   25.871  178.524   36.194  262.003   21.129  261.689   29.594 0.3134766 36.36250 
1 1 1   13   10   32 o   89.008   13.047   17.852   4.1470   16.826   4.5358   23.078   10.238   84.047   11.547   93.970   23.401 -9.923164 26.09493 
1 1 1   13   10   33 o   71.131   16.143   11.837   5.8040   9.8020   7.0714   16.038   10.160   63.369   20.729   78.894   24.753 -15.52428 32.28642 
1 1 1   13   10   34 o  141.956   17.669   52.567   11.301   42.439   16.024   62.592   15.942  125.632   28.006  158.280   21.551 -32.64811 35.33813 
1 1 1   13   10   35 o  120.939   17.446   38.392   9.5264   43.189   13.504   33.638   13.441  129.364   23.187  112.513   26.072 16.85153 34.89144 
1 1 1   13   10   36 o   53.118   12.255   7.2208   3.8433   10.077   4.2473  -5.6858   9.0291   63.463   14.621   42.773   19.671 20.68989 24.50958 
1 1 1   13   10   37 o   96.605   11.524   16.818   4.4174   11.079   4.9540   39.085   9.7591   66.344   16.133  126.865   16.460 -60.52066 23.04794 
1 1 1   13   10   38 o  171.412   18.281   80.577   12.884   88.632   15.877   65.042   22.048  189.931   17.886  152.893   31.889 37.03802 36.56245 
1 1 1   13   10   39 o  157.404   20.095   68.500   14.052   92.728   19.990   44.831   19.757  190.669   22.433  124.140   33.346 66.52927 40.18913 
1 1 1   13   10   40 o   78.061   16.758   16.158   6.5354   17.522   7.9539   13.324   11.466   82.099   20.727   74.022   26.339 8.077034 33.51619 
1 1 1   13   10   41 o   44.393   12.938   2.5881   3.7585   3.4726   4.1635  -1.3063   8.7364   42.250   15.742   46.536   20.535 -4.286179 25.87506 
1 1 1   13   10   42 o   56.573   16.142   2.5691   7.2915  -7.2755   10.715   11.060   9.9509   45.258   21.029   67.887   24.495 -22.62918 32.28358 
1 1 1   13   10   43 o  101.741   14.362   26.531   6.1742   26.192   7.3800   27.322   11.271  103.304   15.286  100.178   24.318 3.125946 28.72362 
1 1 1   13   10   44 o  111.099   14.766   30.263   7.6668   30.263   7.6668   0.0000   0.0000  111.099   14.766  ?   ?       ?      ? 
1 1 1   13   10   45 o  106.909   12.993   27.795   6.4918   27.795   6.4918   0.0000   0.0000  106.909   12.993  ?   ?       ?      ? 
1 1 1   13   10   46 o  118.659   13.023   30.764   6.3817   25.769   7.2644   47.655   13.358  102.027   15.235  135.292   21.126 -33.26468 26.04657 
1 1 1   13   10   47 o   70.722   16.194   10.818   5.0632   8.8249   5.6145   19.501   11.717   58.613   18.403   82.830   26.652 -24.21703 32.38786 
1 1 1   13   10   48 o   63.967   16.046   8.9478   4.9491   7.8384   5.4701   13.952   11.619   55.631   18.233   72.304   26.410 -16.67290 32.09217 
1 1 1   13   10   49 o   62.019   15.456   10.125   5.3356   11.086   6.1830   7.3223   10.560   64.159   19.157   59.878   24.259 4.281166 30.91118 
1 1 1   13   10   50 o   58.348   16.929  -1.7464   7.8302   18.505   13.537 -11.9285   9.5988   78.997   28.560   37.700   18.186 41.29716 33.85841 
1 1 1   13   10   51 o  106.675   15.601   26.975   6.8706   20.424   7.9478   46.350   13.668   86.005   20.129  127.345   23.841 -41.34007 31.20277 
1 1 1   13   10   52 o   50.137   14.919   2.2498   5.2382  -0.1910   6.0388   9.6676   10.527   38.741   17.085   61.534   24.463 -22.79287 29.83877 
1 1 1   13   10   53 o   58.044   15.080   6.1990   6.2596  -3.6342   8.6452   17.035   9.0752   41.205   19.056   74.884   23.378 -33.67926 30.16077 
1 1 1   13   10   54 o  124.202   16.994   46.244   9.4273   47.084   12.185   44.991   14.880  130.281   20.012  118.123   27.473 12.15749 33.98889 
1 1 1   13   10   55 o   58.178   22.339   9.8273   8.5311   9.8273   8.5311   0.0000   0.0000   58.178   22.339  ?   ?       ?      ? 
1 1 1   13   10   56 f   56.077   15.125   9.2445   5.5057   10.020   7.0939   8.0704   8.7312   57.684   20.697   54.469   22.062 3.215099 30.25053 
1 1 1   13   10   57 o   54.687   13.577   9.0259   4.9400   13.173   6.0281   0.5454   8.6200   65.924   18.701   43.449   19.688 22.47508 27.15462 
1 1 1   13   10   58 o   51.921   14.362   7.4653   5.3958   10.963   6.9636   2.2100   8.5360   58.833   20.562   45.008   20.056 13.82522 28.72346 
1 1 1   13   10   59 o   40.214   17.890   1.5646   6.7627   1.5646   6.7627   0.0000   0.0000   40.214   17.890  ?   ?       ?      ? 
1 1 1   13   11    0 o  152.075   8.7126   55.322   8.6249   55.322   8.6249   55.322   8.6249  152.075   12.322  152.075   12.322 -0.000000 0.000000 
1 1 1   13   11    1 o  236.946   11.562  133.182   12.801  130.896   18.117  135.462   18.090  234.881   16.504  239.010   16.195 -4.128799 23.12313 
1 1 1   13   11    2 o  166.387   11.411   65.867   8.8358   59.513   12.573   72.068   12.420  158.299   16.995  174.474   15.232 -16.17526 22.82156 
1 1 1   13   11    3 o  357.529   22.307  321.898   31.648  302.377   63.338  328.393   36.536  344.856   39.299  370.201   21.118 -25.34409 44.61351 
1 1 1   13   11    4 o  328.157   18.093  261.145   27.740  268.609   39.281  253.720   39.178  332.995   25.241  323.319   25.928 9.675934 36.18536 
1 1 1   13   11    5 o  278.023   13.049  184.409   16.921  198.079   23.972  170.836   23.887  288.496   17.780  267.549   19.103 20.94724 26.09706 
1 1 1   13   11    6 o  306.470   16.413  230.146   22.778  243.687   29.394  209.792   36.038  319.268   19.700  293.671   26.257 25.59650 32.82579 
1 1 1   13   11    7 o  170.751   10.393   68.876   8.1087   68.323   10.409   69.730   12.932  170.109   13.093  171.393   16.144 -1.283676 20.78643 
1 1 1   13   11    8 o   86.100   9.7578   18.021   3.6908   18.724   4.7040   16.895   5.9532   89.161   11.289   83.039   15.919 6.121521 19.51560 
1 1 1   13   11    9 f  124.594   9.3552   36.912   5.3153   37.779   6.8551   35.604   8.4170  126.602   11.586  122.585   14.692 4.017128 18.71049 
1 1 1   13   11   10 o  197.376   11.922   95.440   10.544  104.289   13.549   81.853   16.789  209.920   13.811  184.833   19.436 25.08775 23.84351 
1 1 1   13   11   11 o  168.430   11.209   67.472   8.8165   64.133   12.422   70.861   12.515  164.168   16.191  172.693   15.506 -8.524704 22.41871 
1 1 1   13   11   12 o  161.275   16.515   70.979   10.581   83.623   13.052   46.745   18.071  187.657   14.883  134.894   29.487 52.76334 33.03011 
1 1 1   13   11   13 o  129.484   12.632   38.636   7.3380   35.161   9.0185   45.443   12.623  121.511   15.881  137.456   19.649 -15.94494 25.26444 
1 1 1   13   11   14 o   85.234   13.620   18.088   5.1796   18.097   6.5713   18.073   8.4168   85.618   17.022   84.849   21.267 0.7692642 27.24021 
1 1 1   13   11   15 o  265.212   23.550  179.461   28.891  152.300   40.865  206.605   40.852  243.302   35.939  287.122   30.444 -43.82043 47.09997 
1 1 1   13   11   16 o  185.347   17.921   91.764   13.338   68.828   23.266  102.992   16.279  163.044   31.675  207.649   16.774 -44.60561 35.84276 
1 1 1   13   11   17 f  135.155   13.420   42.017   7.9964   49.715   14.306   38.519   9.6434  143.258   21.368  127.052   16.241 16.20506 26.83969 
1 1 1   13   11   18 o  245.528   21.850  146.461   25.072   0.0000   0.0000  146.461   25.072  ?   ?   245.528   21.850      ?      ? 
1 1 1   13   11   19 o  170.251   15.732   72.905   11.566   64.061   19.936   77.391   14.200  160.731   26.540  179.771   16.901 -19.03934 31.46457 
1 1 1   13   11   20 o  269.914   19.727  179.321   23.509  191.028   40.907  173.548   28.727  273.610   31.991  266.219   23.089 7.390961 39.45307 
1 1 1   13   11   21 o  174.574   18.137   75.725   14.757   70.642   21.064   80.626   20.682  168.358   26.771  180.790   24.477 -12.43196 36.27445 
1 1 1   13   11   22 o  248.403   22.697  158.696   26.325  152.816   37.414  164.462   37.047  243.264   32.909  253.541   31.265 -10.27643 45.39324 
1 1 1   13   11   23 o  116.745   17.575   35.172   9.2109   33.522   14.113   36.396   12.157  113.485   27.002  120.005   22.503 -6.520615 35.14938 
1 1 1   13   11   24 o  206.911   15.199   97.645   14.118   78.717   17.283  135.609   24.476  179.344   20.620  234.477   22.336 -55.13322 30.39868 
1 1 1   13   11   25 o  164.048   14.044   61.735   10.388   50.736   12.797   82.982   17.787  144.287   18.977  183.808   20.706 -39.52107 28.08701 
1 1 1   13   11   26 o   44.568   12.460   2.1800   4.0337   5.4283   5.6499  -1.1969   5.7607   51.025   18.450   38.111   16.752 12.91420 24.92044 
1 1 1   13   11   27 o  200.758   12.957   98.084   12.130   90.788   17.143  105.400   17.168  192.977   19.008  208.539   17.615 -15.56230 25.91471 
1 1 1   13   11   28 o  194.955   12.712   92.366   11.513  104.522   16.394   80.539   16.171  208.067   16.860  181.844   19.029 26.22304 25.42321 
1 1 1   13   11   29 o  200.044   13.398   98.638   12.347   81.211   17.608  115.495   17.318  181.636   20.743  218.451   16.963 -36.81494 26.79552 
1 1 1   13   11   30 o   87.545   13.266   19.899   5.4131   12.132   7.9072   26.751   7.4260   69.715   21.831  105.375   15.079 -35.65993 26.53285 
1 1 1   13   11   31 o  130.200   11.788   41.434   7.1256   39.165   10.503   43.369   9.6988  126.533   17.762  133.866   15.503 -7.333458 23.57556 
1 1 1   13   11   32 o  150.197   17.211   61.829   10.570   68.830   12.961   47.931   18.263  168.176   16.491  132.219   30.215 35.95807 34.42274 
1 1 1   13   11   33 o  112.529   14.530   28.668   7.1918   18.513   8.8337   48.629   12.385   84.452   22.119  140.605   18.848 -56.15286 29.05977 
1 1 1   13   11   34 o  105.773   24.126   29.354   11.662   0.0000   0.0000   29.354   11.662  ?   ?   105.773   24.126      ?      ? 
1 1 1   13   11   35 o  124.490   17.973   40.964   10.236   48.541   14.128   32.592   14.850  139.366   21.691  109.615   28.663 29.75153 35.94539 
1 1 1   13   11   36 o  122.955   16.018   41.548   8.1554   46.846   9.9487   30.695   14.240  139.243   15.288  106.668   28.153 32.57474 32.03604 
1 1 1   13   11   37 o  227.238   20.250  151.871   16.171  165.953   18.621  108.665   32.617  261.556   15.233  192.919   37.527 68.63670 40.50066 
1 1 1   13   11   38 o   99.240   15.790   27.002   7.2187   32.069   9.2386   19.058   11.567  114.077   17.329   84.402   26.400 29.67419 31.57963 
1 1 1   13   11   39 o   90.905   16.132   22.720   6.9125   26.785   8.8358   16.308   11.098  102.513   19.147   79.297   25.969 23.21652 32.26473 
1 1 1   13   11   40 o  177.435   12.854   76.527   9.0995   75.141   10.426   80.962   18.643  176.755   12.621  178.116   22.396 -1.360748 25.70759 
1 1 1   13   11   41 o  137.343   12.897   40.977   7.7068   30.526   9.1115   67.249   14.447  110.866   17.585  163.821   18.870 -52.95440 25.79343 
1 1 1   13   11   42 o   75.709   14.997   14.273   4.9948   13.368   5.7701   16.977   9.9760   72.000   17.352   79.418   24.465 -7.418793 29.99370 
1 1 1   13   11   43 o   67.200   18.336   11.733   5.9190   11.733   5.9190   0.0000   0.0000   67.200   18.336  ?   ?       ?      ? 
1 1 1   13   11   44 f  142.981   13.639   49.900   9.1136   49.900   9.1136   0.0000   0.0000  142.981   13.639  ?   ?       ?      ? 
1 1 1   13   11   45 o   66.495   15.274   8.1488   4.5202   5.6161   4.9976   19.538   10.598   49.340   17.407   83.649   25.104 -34.30910 30.54851 
1 1 1   13   11   46 o   67.278   14.760   12.722   5.0585   14.635   5.7460   6.1303   10.665   75.066   16.798   59.490   24.275 15.57635 29.52065 
1 1 1   13   11   47 o   73.231   17.952   14.210   7.2854   12.768   9.1340   16.731   12.078   69.138   23.578   77.323   27.078 -8.185486 35.90435 
1 1 1   13   11   48 o   71.887   19.649   12.755   9.2774   19.740   14.805   8.2389   11.905   80.909   29.772   62.865   25.649 18.04386 39.29736 
1 1 1   13   11   49 o   63.774   18.270   8.0849   9.0247  -1.8945   14.592   14.266   11.485   55.833   25.422   71.714   26.247 -15.88178 36.54065 
1 1 1   13   11   50 o   88.147   15.638   21.001   5.9556   19.677   7.0168   24.413   11.263   85.743   18.080   90.551   25.519 -4.807938 31.27502 
1 1 1   13   11   51 o   68.442   17.066   13.718   6.9518   16.387   9.1689   10.109   10.662   74.213   23.544   62.670   24.712 11.54300 34.13250 
1 1 1   13   11   52 o   62.460   16.548   11.035   6.7837   14.111   8.4978   5.6312   11.264   68.764   22.735   56.155   24.053 12.60888 33.09681 
1 1 1   13   11   53 o   69.727   17.183   14.900   7.2698   18.791   9.1660   8.3028   11.936   78.881   23.270   60.573   25.290 18.30779 34.36694 
1 1 1   13   11   54 o   47.940   20.590   3.4701   8.2935   3.4701   8.2935   0.0000   0.0000   47.940   20.590  ?   ?       ?      ? 
1 1 1   13   11   55 o   39.870   12.486  -0.0885   4.8733   3.7794   5.7803  -9.5950   9.0621   43.689   17.855   36.052   17.459 7.637371 24.97186 
1 1 1   13   11   56 o   72.299   15.660   17.311   5.5827   17.513   6.5247   16.760   10.785   76.742   18.425   67.855   25.326 8.886765 31.31945 
1 1 1   13   11   57 o   42.980   13.537   1.5759   5.4186   2.9734   6.6873  -1.0958   9.2463   43.216   18.523   42.744   19.746 0.4721107 27.07408 
1 1 1   13   11   58 o   50.266   14.589   7.1478   5.7114   9.6606   6.7122   0.5551   10.872   54.972   20.074   45.559   21.174 9.413044 29.17703 
1 1 1   13   12    0 o  398.504   16.457  381.370   43.006  381.370   43.006  381.370   43.006  398.504   23.273  398.504   23.273 -0.000000 0.000000 
1 1 1   13   12    1 o  169.578   10.337   68.052   8.0349   68.607   12.680   67.679   10.386  169.929   15.967  169.227   13.132 0.7015686 20.67365 
1 1 1   13   12    2 o  183.419   10.389   78.989   8.7460   83.626   13.896   75.947   11.255  187.623   15.847  179.214   13.438 8.409058 20.77764 
1 1 1   13   12    3 o  115.870   7.8183   31.770   4.2137   28.801   6.0384   34.587   5.8828  110.516   11.691  121.225   10.384 -10.70894 15.63650 
1 1 1   13   12    4 o  174.826   9.4701   72.808   7.6581   61.190   10.863   84.288   10.798  160.684   14.465  188.967   12.227 -28.28310 18.94025 
1 1 1   13   12    5 o  156.157   8.5955   57.556   6.2683   60.593   8.9340   54.610   8.7970  160.243   11.930  152.070   12.378 8.173157 17.19093 
1 1 1   13   12    6 o  186.127   9.5466   82.076   8.2805   89.865   11.783   74.477   11.639  194.958   12.932  177.297   14.046 17.66080 19.09315 
1 1 1   13   12    7 o  462.862   25.774  568.542   52.812  640.445   68.183  460.714   83.497  508.570   28.687  417.155   42.828 91.41504 51.54807 
1 1 1   13   12    8 o  274.988   13.588  175.333   17.157  142.121   22.097  225.754   27.227  243.231   19.439  306.744   18.992 -63.51315 27.17678 
1 1 1   13   12    9 o  237.069   18.268  144.695   16.858  151.247   19.439  124.817   33.861  251.815   16.518  222.323   32.589 29.49252 36.53577 
1 1 1   13   12   10 o  257.147   18.704  160.652   21.302  155.942   26.112  170.022   36.833  253.613   22.031  260.682   30.233 -7.069000 37.40836 
1 1 1   13   12   11 o  248.031   18.903  153.981   20.445  158.565   25.087  144.912   35.282  256.138   20.957  239.924   31.465 16.21455 37.80552 
1 1 1   13   12   12 o  190.986   14.722   84.683   12.628   76.489   15.531  100.669   21.691  178.517   18.615  203.455   22.812 -24.93799 29.44388 
1 1 1   13   12   13 f  161.837   15.946   63.549   12.047   67.810   17.411   59.636   16.686  167.102   22.294  156.572   22.804 10.53030 31.89104 
1 1 1   13   12   14 o  291.341   21.216  211.392   27.226  216.302   47.105  208.929   33.363  290.569   34.687  292.112   24.438 -1.541992 42.43166 
1 1 1   13   12   15 o  243.308   18.500  152.713   19.110  127.985   33.328  164.824   23.325  224.917   31.706  261.700   19.071 -36.78334 36.99994 
1 1 1   13   12   16 o  123.407   15.139   38.702   7.8131   34.533   13.754   40.689   9.4937  116.198   25.979  130.616   15.552 -14.41750 30.27809 
1 1 1   13   12   17 o  271.584   20.930  188.411   24.728  176.835   42.696  194.254   30.333  261.365   34.954  281.803   23.032 -20.43771 41.86024 
1 1 1   13   12   18 o  108.179   15.932   27.977   8.0548   0.0000   0.0000   27.977   8.0548  ?   ?   108.179   15.932      ?      ? 
1 1 1   13   12   19 o  156.420   16.671   58.662   12.187   0.0000   0.0000   58.662   12.187  ?   ?   156.420   16.671      ?      ? 
1 1 1   13   12   20 o  281.080   26.332  210.601   34.195  178.883   48.483  241.998   48.237  256.962   40.372  305.198   33.819 -48.23560 52.66464 
1 1 1   13   12   21 o  232.368   30.640  138.493   33.275  138.493   33.275   0.0000   0.0000  232.368   30.640  ?   ?       ?      ? 
1 1 1   13   12   22 o   97.435   14.747   23.810   6.3597   23.100   8.0603   24.981   10.351   96.116   18.616   98.754   22.878 -2.638031 29.49492 
1 1 1   13   12   23 o  114.996   14.318   32.749   7.1888   32.403   8.9591   33.375   12.046  115.897   16.540  114.094   23.377 1.803535 28.63663 
1 1 1   13   12   24 o  274.429   16.919  188.508   21.695  184.764   30.712  192.236   30.650  271.497   24.205  277.361   23.645 -5.864594 33.83722 
1 1 1   13   12   25 o  216.561   13.907  114.910   14.048  107.262   19.907  122.496   19.826  209.014   20.379  224.107   18.929 -15.09262 27.81400 
1 1 1   13   12   26 o   82.351   13.063   17.309   4.9038   14.649   7.2737   19.525   6.6396   76.034   20.147   88.668   16.633 -12.63386 26.12580 
1 1 1   13   12   27 o  150.903   11.549   55.013   8.1282   51.674   11.587   58.247   11.406  146.205   16.957  155.601   15.684 -9.396255 23.09849 
1 1 1   13   12   28 o  161.613   12.341   63.437   9.3100   67.706   13.316   59.356   13.021  167.069   17.055  156.156   17.842 10.91237 24.68215 
1 1 1   13   12   29 o  329.824   19.341  281.405   29.785  294.061   42.132  268.761   42.112  338.022   26.670  321.626   28.017 16.39667 38.68121 
1 1 1   13   12   30 o   91.660   13.305   21.802   5.6006   13.746   8.0795   29.252   7.7703   73.325   21.900  109.994   15.115 -36.66945 26.61003 
1 1 1   13   12   31 o  138.929   12.223   47.319   7.8521   55.509   11.193   39.382   11.019  151.299   15.829  126.558   18.629 24.74097 24.44591 
1 1 1   13   12   32 o  100.018   13.507   23.164   4.9057   22.003   5.4217   28.410   11.521   96.005   12.084  104.031   24.160 -8.025970 27.01329 
1 1 1   13   12   33 o  241.461   23.671  160.316   25.503  127.449   35.845  194.011   36.294  210.792   37.773  272.129   28.537 -61.33763 47.34113 
1 1 1   13   12   34 o  204.856   18.282  107.075   17.446   96.521   23.773  119.394   25.684  193.685   26.263  216.028   25.439 -22.34332 36.56372 
1 1 1   13   12   35 o  154.186   15.526   60.600   9.0408   61.095   10.341   58.992   18.624  159.445   13.877  148.928   27.779 10.51672 31.05271 
1 1 1   13   12   36 o  204.431   12.892   94.704   10.825   86.164   12.392  122.203   22.237  188.852   14.040  220.011   21.627 -31.15851 25.78455 
1 1 1   13   12   37 o  132.507   15.915   46.178   9.0504   48.339   11.285   42.282   15.151  140.124   17.233  124.889   26.763 15.23534 31.83095 
1 1 1   13   12   38 o  121.394   16.930   43.371   8.7744   53.293   10.859   24.710   14.893  147.930   15.707   94.859   29.997 53.07054 33.86079 
1 1 1   13   12   39 o  191.787   20.732  107.780   15.868  122.724   19.495   78.448   27.312  221.947   18.795  161.628   36.961 60.31842 41.46497 
1 1 1   13   12   40 o  137.487   20.601   54.299   13.048   39.360   19.296   66.886   17.711  114.709   33.742  160.265   23.646 -45.55655 41.20243 
1 1 1   13   12   41 o   89.615   19.262   23.610   9.4356   10.983   16.283   29.995   11.578   74.038   30.079  105.192   24.071 -31.15418 38.52458 
1 1 1   13   12   42 f   38.764   15.836   1.6943   4.5452   1.6943   4.5452   0.0000   0.0000   38.764   15.836  ?   ?       ?      ? 
1 1 1   13   12   43 o   46.658   17.329   4.5171   5.0372   4.5171   5.0372   0.0000   0.0000   46.658   17.329  ?   ?       ?      ? 
1 1 1   13   12   44 o   93.063   15.232   22.371   5.7148   21.863   6.4786   24.152   12.132   94.163   14.722   91.964   26.671 2.199341 30.46389 
1 1 1   13   12   45 o   80.994   15.116   18.657   5.4726   20.192   6.1921   13.177   11.697   90.404   14.656   71.585   26.443 18.81895 30.23273 
1 1 1   13   12   46 o  156.559   16.210   67.845   9.5190   69.782   10.974   61.957   19.132  168.220   13.958  144.898   29.261 23.32184 32.41940 
1 1 1   13   12   47 o   56.207   14.794   6.4213   4.4470   5.2794   5.0145   10.627   9.6236   47.951   17.375   64.463   23.950 -16.51181 29.58899 
1 1 1   13   12   48 o   67.889   16.057   9.1757   5.2234   5.8573   5.8835   21.525   11.350   50.666   18.746   85.111   26.075 -34.44516 32.11418 
1 1 1   13   12   49 o   53.235   14.332   6.5079   4.9993   8.9918   5.6162  -2.9731   10.972   58.347   18.418   48.123   21.963 10.22389 28.66366 
1 1 1   13   12   50 o   47.793   17.213   5.4917   4.9109   5.4917   4.9109   0.0000   0.0000   47.793   17.213  ?   ?       ?      ? 
1 1 1   13   12   51 o   73.168   14.251   10.508   4.6230   5.6539   5.2091   28.513   10.032   48.158   17.669   98.177   22.364 -50.01894 28.50140 
1 1 1   13   12   52 o   78.240   15.112   14.519   5.3816   9.3758   6.2967   28.457   10.366   58.497   19.578   97.983   23.027 -39.48570 30.22455 
1 1 1   13   12   53 o   59.598   14.842   3.2449   5.1048  -2.8020   5.7998   24.036   10.754   33.908   15.656   85.287   25.219 -51.37862 29.68346 
1 1 1   13   12   54 o   75.949   17.470   18.304   8.6202   34.639   12.322   2.6466   12.064  100.454   26.033   51.444   23.303 49.01030 34.93955 
1 1 1   13   12   55 o   66.844   17.462   14.253   6.9923   9.8628   8.6454   22.557   11.890   56.925   22.314   76.764   26.867 -19.83902 34.92444 
1 1 1   13   12   56 o   65.253   16.973   13.801   6.3544   11.615   7.5692   19.022   11.695   60.157   21.401   70.349   26.350 -10.19173 33.94565 
1 1 1   13   12   57 o   55.800   15.198   7.1784   5.6578   1.3804   6.9346   18.722   9.7848   40.789   18.132   70.811   24.396 -30.02272 30.39606 
1 1 1   13   12   58 o   58.723   20.310   11.638   6.7853   11.638   6.7853   0.0000   0.0000   58.723   20.310  ?   ?       ?      ? 
1 1 1   13   13    0 o   17.323   8.3278  -1.6101   2.8967  -1.6101   2.8967  -1.6101   2.8967   17.323   11.777   17.323   11.777 -0.000000 0.000000 
1 1 1   13   13    1 o   43.154   10.738   3.6987   2.6007   4.9248   4.3714   3.0269   3.2357   47.452   16.308   38.857   13.974 8.595280 21.47652 
1 1 1   13   13    2 o   46.781   10.467   5.1759   2.5714   4.1555   4.0417   5.8697   3.3329   44.454   15.657   49.107   13.897 -4.653332 20.93483 
1 1 1   13   13    3 o  103.620   7.9999   25.420   3.8421   29.520   5.4859   21.473   5.3825  111.919   10.488   95.321   12.083 16.59834 15.99974 
1 1 1   13   13    4 o  202.372   10.466   97.401   9.8893   93.028   14.020  101.732   13.951  197.762   15.169  206.982   14.422 -9.219910 20.93122 
1 1 1   13   13    5 o  205.599   10.119  100.670   9.6793   90.098   13.719  111.150   13.659  194.637   15.082  216.561   13.495 -21.92383 20.23808 
1 1 1   13   13    6 o  251.633   11.942  151.300   14.035  157.702   19.891  144.951   19.807  257.043   16.558  246.224   17.212 10.81876 23.88334 
1 1 1   13   13    7 o  118.844   8.3792   33.262   4.6109   32.614   6.0928   34.129   7.0537  117.576   11.088  120.112   12.566 -2.536690 16.75840 
1 1 1   13   13    8 o  363.243   19.714  287.388   30.243  240.626   34.894  428.572   60.631  313.985   23.779  412.502   31.451 -98.51639 39.42836 
1 1 1   13   13    9 o  177.445   13.466   74.634   11.167   74.634   11.167   0.0000   0.0000  177.445   13.466  ?   ?       ?      ? 
1 1 1   13   13   10 o  362.867   32.532  359.990   55.130  346.687   77.977  373.286   77.955  355.016   46.998  370.718   44.995 -15.70169 65.06371 
1 1 1   13   13   11 o  250.618   22.449  159.378   26.123  140.237   36.992  178.418   36.894  234.292   33.784  266.944   29.573 -32.65239 44.89879 
1 1 1   13   13   12 o  153.736   13.162   55.932   8.8552   59.442   15.726   54.302   10.715  156.484   21.504  150.987   15.185 5.496674 26.32499 
1 1 1   13   13   13 o  191.499   15.936   90.769   13.283   85.505   23.046   93.388   16.255  185.717   26.552  197.281   17.630 -11.56409 31.87217 
1 1 1   13   13   14 o  174.903   12.402   73.441   10.134   70.914   14.301   75.991   14.362  171.808   17.810  177.999   17.265 -6.191452 24.80471 
1 1 1   13   13   15 o  104.118   15.083   28.080   6.5578   23.820   12.124   29.841   7.7967   96.353   26.223  111.882   14.911 -15.52975 30.16616 
1 1 1   13   13   16 o  247.674   22.083  156.626   25.421  175.045   36.112  138.532   35.792  263.348   29.341  232.001   33.011 31.34702 44.16565 
1 1 1   13   13   17 o  189.201   26.124   89.149   23.100   0.0000   0.0000   89.149   23.100  ?   ?   189.201   26.124      ?      ? 
1 1 1   13   13   18 o  415.809   60.773  554.656  118.100   0.0000   0.0000  554.656  118.100  ?   ?   415.809   60.773      ?      ? 
1 1 1   13   13   19 o  140.169   13.223   45.387   8.3547   39.713   10.299   56.304   14.286  128.360   17.169  151.977   20.114 -23.61653 26.44519 
1 1 1   13   13   20 o  126.989   14.592   40.556   8.0011   41.850   9.9910   38.242   13.360  131.875   16.211  122.102   24.267 9.773079 29.18351 
1 1 1   13   13   21 f  162.433   15.349   66.600   10.857   69.727   13.375   60.561   18.588  169.877   16.846  154.989   25.662 14.88760 30.69794 
1 1 1   13   13   22 o  186.223   12.710   84.347   11.032   91.996   15.706   76.898   15.499  194.847   17.248  177.598   18.674 17.24881 25.42048 
1 1 1   13   13   23 o  201.537   13.383   99.057   12.605   98.020   17.832  100.093   17.820  200.433   19.036  202.640   18.816 -2.206848 26.76634 
1 1 1   13   13   24 o  149.785   12.000   54.270   8.3709   59.696   11.888   48.935   11.789  157.450   16.156  142.120   17.749 15.32977 24.00088 
1 1 1   13   13   25 o  166.158   12.166   67.005   9.3476   79.073   13.373   55.478   13.071  181.286   15.785  151.031   18.518 30.25417 24.33263 
1 1 1   13   13   26 f  258.230   19.964  168.853   22.859  181.484   39.427  162.457   28.055  261.736   32.232  254.725   23.567 7.010605 39.92897 
1 1 1   13   13   27 o  217.066   16.259  112.297   15.846  140.457   27.385   98.123   19.429  235.189   24.915  198.943   20.896 36.24586 32.51786 
1 1 1   13   13   28 o  155.300   12.078   59.254   8.6714   50.096   12.345   68.173   12.183  142.803   18.498  167.797   15.536 -24.99408 24.15605 
1 1 1   13   13   29 o  268.600   17.058  184.585   21.078  220.564   29.951  149.282   29.669  296.883   21.587  240.316   26.417 56.56667 34.11508 
1 1 1   13   13   30 o  194.546   13.330   93.076   12.117   96.056   17.277   90.191   16.997  197.687   18.701  191.405   19.001 6.282104 26.65983 
1 1 1   13   13   31 f  216.234   20.507  128.833   18.202  139.934   22.362  107.042   31.332  237.677   20.132  194.791   35.734 42.88615 41.01469 
1 1 1   13   13   32 f   73.313   15.826   12.906   5.8112   10.162   7.3322   17.541   9.5299   64.508   21.108   82.117   23.587 -17.60867 31.65247 
1 1 1   13   13   33 o   64.101   13.535   5.2989   3.3204   3.2021   3.5456   20.245   9.4665   40.014   14.593   88.188   22.801 -48.17409 27.07084 
1 1 1   13   13   34 o   93.672   14.369   21.485   5.2104   20.971   5.8542   23.444   11.429   93.443   13.405   93.901   25.420 -0.4580917 28.73786 
1 1 1   13   13   35 o   56.500   13.206   8.2507   3.7300   9.6050   4.0245   0.0002   9.9334   61.831   14.223   51.168   22.254 10.66306 26.41142 
1 1 1   13   13   36 o  167.044   12.726   67.104   9.3749   63.606   11.385   74.474   16.523  161.804   15.055  172.284   20.521 -10.47968 25.45181 
1 1 1   13   13   37 f   87.993   14.297   20.223   5.3980   21.026   6.3616   18.158   10.201   93.150   14.613   82.836   24.578 10.31401 28.59402 
1 1 1   13   13   38 o   43.088   12.092   2.7157   3.7350   5.2579   4.1764  -7.4401   8.3473   47.430   15.944   38.745   18.184 8.685230 24.18427 
1 1 1   13   13   39 o   84.677   19.206   17.759   8.9185   29.334   13.945   9.7462   11.602  101.985   28.274   67.368   26.003 34.61720 38.41270 
1 1 1   13   13   40 o   67.834   27.379   8.6919   13.396   8.6919   13.396   0.0000   0.0000   67.834   27.379  ?   ?       ?      ? 
1 1 1   13   13   41 o  175.760   19.603   78.515   16.102   78.515   16.102   0.0000   0.0000  175.760   19.603  ?   ?       ?      ? 
1 1 1   13   13   42 o  114.384   13.972   32.022   7.4691   32.022   7.4691   0.0000   0.0000  114.384   13.972  ?   ?       ?      ? 
1 1 1   13   13   43 o   29.886   13.235  -0.9315   3.6607  -0.9315   3.6607   0.0000   0.0000   29.886   13.235  ?   ?       ?      ? 
1 1 1   13   13   44 o  144.202   10.960   41.569   6.3869   32.866   7.1653   75.222   14.091  115.909   13.227  172.495   17.479 -56.58619 21.91963 
1 1 1   13   13   45 o   78.073   16.740   17.178   7.1954   23.876   9.5975   8.5823   10.873   93.070   22.347   63.075   24.929 29.99516 33.47908 
1 1 1   13   13   46 o   78.439   17.557   18.272   7.6106   22.880   9.7542   11.103   12.168   89.706   23.121   67.171   26.427 22.53479 35.11373 
1 1 1   13   13   47 o   78.225   13.560   10.531   4.9408   3.4770   5.6426   33.714   10.229   44.933   17.895  111.517   20.378 -66.58427 27.12006 
1 1 1   13   13   48 o   52.784   14.645   6.0170   4.8506   7.3195   5.3921   0.4915   11.106   53.670   18.117   51.898   23.014 1.771343 29.28950 
1 1 1   13   13   49 o   41.908   16.242   3.4491   4.5410   3.4491   4.5410   0.0000   0.0000   41.908   16.242  ?   ?       ?      ? 
1 1 1   13   13   50 o   75.618   15.462   17.881   5.5069   19.131   6.1979   13.193   12.002   84.337   16.315   66.900   26.270 17.43655 30.92407 
1 1 1   13   13   51 o   52.117   14.473   5.3733   4.3538   4.5069   4.8826   8.7353   9.6184   44.997   16.990   59.237   23.436 -14.24026 28.94649 
1 1 1   13   13   52 o   33.579   11.035  -2.3235   3.8385   0.5756   4.1451 -19.7725   10.169   33.768   14.531   33.391   16.611 0.3773422 22.06951 
1 1 1   13   13   53 o   38.831   12.725  -2.4167   4.0739  -3.7407   4.4940   3.6888   9.6501   28.050   13.220   49.611   21.747 -21.56108 25.45009 
1 1 1   13   13   54 o   55.719   16.029   8.9625   6.6092   10.563   8.4262   6.4040   10.655   58.273   22.243   53.166   23.086 5.107391 32.05779 
1 1 1   13   13   55 o   65.128   17.294   13.737   7.1898   8.2042   9.2499   22.181   11.428   54.088   22.395   76.169   26.357 -22.08121 34.58704 
1 1 1   13   13   56 o   48.975   14.226   6.2771   4.9616   7.2706   5.6147   2.7366   10.599   50.082   18.349   47.868   21.746 2.213623 28.45288 
1 1 1   13   13   57 o   47.128   21.668   3.0045   10.946   3.0045   10.946   0.0000   0.0000   47.128   21.668  ?   ?       ?      ? 
1 1 1   13   14    0 o   76.017   12.242   15.550   5.3604   15.550   5.3604   15.550   5.3604   76.017   17.313   76.017   17.313 -0.000000 0.000000 
1 1 1   13   14    1 o   72.728   10.164   13.881   3.2695   8.5525   5.1285   17.530   4.2436   59.228   17.388   86.229   10.530 -27.00056 20.32782 
1 1 1   13   14    2 o  147.855   8.7536   51.722   6.0481   52.328   8.5282   51.110   8.5787  148.742   12.268  146.968   12.490 1.774353 17.50727 
1 1 1   13   14    3 o  198.578   10.904   92.369   9.9653   85.552   12.836  102.712   15.810  189.732   14.476  207.425   16.309 -17.69250 21.80721 
1 1 1   13   14    4 o  184.886   9.5949   81.136   8.2811   76.697   11.708   85.581   11.715  179.746   13.937  190.026   13.191 -10.27998 19.18974 
1 1 1   13   14    5 o  154.625   9.5599   56.744   6.7745   56.878   8.7714   56.545   10.665  155.081   12.102  154.170   14.802 0.9103241 19.11977 
1 1 1   13   14    6 o  153.276   12.949   57.761   7.8888   59.068   9.1024   53.814   15.813  157.989   12.328  148.563   22.775 9.426041 25.89737 
1 1 1   13   14    7 o  320.683   14.671  249.088   21.986  252.386   31.153  245.814   31.034  322.853   20.646  318.512   20.848 4.340271 29.34166 
1 1 1   13   14    8 o  199.671   15.925   98.127   13.895   99.917   17.011   94.538   24.086  203.994   17.843  195.347   26.383 8.647202 31.84994 
1 1 1   13   14    9 o  100.992   10.033   24.251   4.7237   22.063   6.5999   26.548   6.7637   96.263   14.670  105.721   13.689 -9.458397 20.06511 
1 1 1   13   14   10 o  317.933   24.638  278.672   32.573  212.880   56.233  311.896   39.960  279.578   43.037  356.288   23.998 -76.71021 49.27565 
1 1 1   13   14   11 o  405.361   55.375  490.954  104.906   0.0000   0.0000  490.954  104.906  ?   ?   405.361   55.375      ?      ? 
1 1 1   13   14   12 o  271.473   21.333  197.346   24.369  156.281   42.050  218.114   29.903  243.695   36.921  299.251   21.382 -55.55682 42.66537 
1 1 1   13   14   13 o  187.402   14.069   81.955   11.816   96.485   20.368   74.583   14.507  198.722   21.930  176.081   17.629 22.64180 28.13784 
1 1 1   13   14   14 o  122.314   16.020   37.785   8.8528   32.892   13.086   41.915   12.021  113.133   25.375  131.495   19.561 -18.36167 32.03945 
1 1 1   13   14   15 o  221.954   21.216  126.274   21.838  111.017   31.145  141.027   30.627  207.320   32.144  236.587   27.700 -29.26675 42.43283 
1 1 1   13   14   16 o  130.585   20.649   41.664   12.602   0.0000   0.0000   41.664   12.602  ?   ?   130.585   20.649      ?      ? 
1 1 1   13   14   17 o  221.293   22.068  129.695   21.461   95.016   30.318  164.520   30.382  186.364   36.114  256.221   25.372 -69.85750 44.13543 
1 1 1   13   14   18 o   88.732   14.271   18.273   5.6234   13.648   6.9096   27.345   9.6778   73.477   19.713  103.988   20.642 -30.51102 28.54271 
1 1 1   13   14   19 o  161.708   13.640   62.206   9.8242   58.500   12.035   69.609   17.009  155.619   16.547  167.797   21.689 -12.17812 27.28081 
1 1 1   13   14   20 o  174.344   12.277   73.674   10.002   72.914   14.074   74.450   14.219  173.434   17.363  175.253   17.360 -1.818176 24.55310 
1 1 1   13   14   21 o  157.463   11.780   59.856   8.6684   60.850   12.277   58.868   12.241  158.803   16.542  156.124   16.776 2.678665 23.56043 
1 1 1   13   14   22 o   57.641   14.369   6.4090   4.7553   10.895   7.8867   3.8464   5.9607   67.142   21.888   48.139   18.622 19.00262 28.73770 
1 1 1   13   14   23 o  160.314   14.221   62.320   10.191   65.312   17.252   60.717   12.630  162.191   22.759  158.436   17.058 3.754120 28.44213 
1 1 1   13   14   24 f  214.879   16.280  109.457   15.695   95.632   19.222  137.104   27.183  196.789   20.901  232.969   24.966 -36.17998 32.56007 
1 1 1   13   14   25 o  107.418   14.897   29.836   6.9713   31.597   8.6893   26.656   11.679  114.183   16.283  100.653   24.951 13.53030 29.79453 
1 1 1   13   14   26 o   84.227   12.589   18.049   4.9389   11.131   6.9714   25.020   6.9980   66.613   20.440  101.841   14.703 -35.22836 25.17885 
1 1 1   13   14   27 o  103.417   17.519   28.410   8.3622   30.431   11.461   26.111   12.228  107.943   23.395   98.891   26.082 9.052864 35.03733 
1 1 1   13   14   28 o   69.406   15.485   12.477   5.6084   14.524   6.7032   7.6996   10.240   75.414   19.021   63.399   24.441 12.01505 30.97039 
1 1 1   13   14   29 o  190.999   14.766   82.082   12.489   56.545   15.317  132.738   21.572  150.366   21.796  231.633   19.928 -81.26744 29.53247 
1 1 1   13   14   30 o  104.850   15.731   26.035   7.2454   19.445   8.8942   39.035   12.492   86.559   21.953  123.140   22.537 -36.58109 31.46233 
1 1 1   13   14   31 o  251.802   25.161  176.047   29.368  155.399   41.771  196.230   41.299  234.194   38.164  269.411   32.800 -35.21713 50.32288 
1 1 1   13   14   32 o  200.735   11.417   97.677   10.701   95.031   14.774  100.597   15.522  197.960   15.969  203.510   16.320 -5.549728 22.83303 
1 1 1   13   14   33 o  135.758   10.191   44.096   6.4076   36.632   8.6223   53.303   9.5758  122.870   15.015  148.647   13.784 -25.77707 20.38293 
1 1 1   13   14   34 o   71.100   21.183   13.051   7.5663   13.051   7.5663   0.0000   0.0000   71.100   21.183  ?   ?       ?      ? 
1 1 1   13   14   35 o  180.430   12.118   72.260   8.9294   65.016   10.172   96.585   18.641  164.357   13.243  196.502   20.298 -32.14528 24.23638 
1 1 1   13   14   36 o  291.741   18.146  210.125   21.661  197.191   24.945  249.765   43.671  281.532   18.959  301.951   30.946 -20.41879 36.29231 
1 1 1   13   14   37 o   92.978   14.894   18.969   5.7040   14.613   6.5473   32.687   11.619   75.091   18.721  110.865   23.171 -35.77336 29.78874 
1 1 1   13   14   38 o  110.077   17.723   30.878   10.001   56.712   15.294   11.581   13.218  148.345   22.061   71.809   27.745 76.53595 35.44617 
1 1 1   13   14   39 o   81.673   29.234   17.855   14.145   17.855   14.145   0.0000   0.0000   81.673   29.234  ?   ?       ?      ? 
1 1 1   13   14   40 f  152.451   18.951   58.831   13.502   58.831   13.502   0.0000   0.0000  152.451   18.951  ?   ?       ?      ? 
1 1 1   13   14   41 o   55.552   16.639   7.8462   4.6591   7.8462   4.6591   0.0000   0.0000   55.552   16.639  ?   ?       ?      ? 
1 1 1   13   14   42 o   61.176   14.795   8.9124   4.4808   8.6687   5.0551   9.8058   9.6789   58.068   17.318   64.285   23.992 -6.217495 29.58975 
1 1 1   13   14   43 o   75.162   15.732   9.5544   6.8774  -1.6182   8.4699   31.176   11.783   44.619   19.923  105.706   24.352 -61.08751 31.46353 
1 1 1   13   14   44 o   60.085   14.034   9.9462   4.4090   11.634   4.8052   0.9563   11.089   66.994   15.633   53.176   23.311 13.81837 28.06734 
1 1 1   13   14   45 o   69.141   17.674   12.853   7.2329   11.716   9.3873   14.515   11.347   66.232   23.804   72.050   26.132 -5.817719 35.34837 
1 1 1   13   14   46 o  124.454   18.704   49.540   10.339   58.638   12.795   32.421   17.551  150.343   18.210   98.565   32.677 51.77800 37.40860 
1 1 1   13   14   47 o   71.312   20.555   14.096   7.2258   14.096   7.2258   0.0000   0.0000   71.312   20.555  ?   ?       ?      ? 
1 1 1   13   14   48 o   72.574   16.125   12.984   5.2559   10.651   5.9277   21.563   11.366   62.194   18.800   82.953   26.202 -20.75847 32.24913 
1 1 1   13   14   49 o   59.060   13.826   10.545   4.9852   13.787   5.5288  -3.5526   11.529   70.965   16.911   47.156   21.878 23.80842 27.65134 
1 1 1   13   14   50 o   50.533   13.976   5.7670   4.7662   7.6594   5.4926  -0.0013   9.5898   53.812   18.284   47.255   21.142 6.556526 27.95181 
1 1 1   13   14   51 o   41.621   12.760  -2.6762   3.8038  -5.5488   4.2334   9.3607   8.6658   25.150   12.118   58.091   22.459 -32.94087 25.51965 
1 1 1   13   14   52 o   60.045   15.513   10.327   5.0428   9.8546   5.6736   12.103   11.005   58.120   18.529   61.971   24.885 -3.850525 31.02547 
1 1 1   13   14   53 o   52.282   14.722   6.9289   4.6890   6.5267   5.2477   8.5223   10.444   48.847   17.763   55.717   23.483 -6.869591 29.44450 
1 1 1   13   14   54 o   52.463   15.972   6.5474   7.0566   5.2973   9.4989   8.0870   10.541   50.271   21.813   54.655   23.336 -4.384102 31.94334 
1 1 1   13   14   55 o   52.059   16.471   5.8775   8.1808   4.8827   12.877   6.5508   10.593   52.076   23.778   52.042   22.800 0.3386688E-01 32.94235 
1 1 1   13   14   56 o   42.441   20.449  -4.9601   12.054  -4.9601   12.054   0.0000   0.0000   42.441   20.449  ?   ?       ?      ? 
1 1 1   13   15    0 o  241.949   14.915  142.542   23.434  142.542   23.434  142.542   23.434  241.949   21.093  241.949   21.093 -0.000000 0.000000 
1 1 1   13   15    1 f  161.901   9.7240   60.768   7.2422   54.094   9.2925   71.094   11.558  150.969   13.170  172.833   14.310 -21.86357 19.44804 
1 1 1   13   15    2 o  111.054   7.8310   29.136   4.0637   28.382   5.7148   29.906   5.7795  109.593   11.158  112.515   10.991 -2.921967 15.66208 
1 1 1   13   15    3 o  108.273   8.8820   28.072   4.3957   29.315   5.7304   26.294   6.8518  111.393   11.007  105.152   13.943 6.241264 17.76401 
1 1 1   13   15    4 o  112.434   8.8049   30.121   4.5383   30.851   5.9149   29.076   7.0765  114.263   11.076  110.605   13.690 3.657387 17.60971 
1 1 1   13   15    5 o  172.814   10.137   70.787   8.0520   69.373   10.436   72.867   12.657  170.963   13.062  174.664   15.506 -3.700638 20.27375 
1 1 1   13   15    6 o  185.182   11.651   82.156   10.083   82.171   14.304   82.141   14.217  185.184   16.528  185.179   16.427 0.5371094E-02 23.30281 
1 1 1   13   15    7 f  120.908   9.2037   37.503   4.6235   27.983   8.1127   42.083   5.6267  108.128   16.054  133.688   9.0057 -25.56079 18.40745 
1 1 1   13   15    8 o  326.408   16.398  269.333   23.962  228.748   37.918  296.316   30.918  302.645   26.809  350.171   18.892 -47.52594 32.79663 
1 1 1   13   15    9 o  148.018   11.630   53.740   6.2465   50.579   14.202   54.499   6.9554  144.029   21.099  152.008   9.7907 -7.978973 23.25987 
1 1 1   13   15   10 o   80.446   12.444   18.037   4.2803   10.489   8.0116   21.052   5.0635   66.596   22.077   94.296   11.490 -27.70044 24.88821 
1 1 1   13   15   11 o  203.240   20.417  108.066   17.987  143.286   25.507   73.230   25.368  241.319   22.617  165.162   33.998 76.15685 40.83339 
1 1 1   13   15   12 o  256.971   23.069  171.907   27.703  169.688   39.154  174.132   39.200  255.138   32.837  258.804   32.410 -3.666550 46.13738 
1 1 1   13   15   13 o  149.130   14.744   57.941   9.1255   63.831   11.289   46.836   15.501  163.299   14.792  134.961   25.510 28.33832 29.48852 
1 1 1   13   15   14 o  129.647   14.422   44.805   7.6899   51.042   9.5344   33.194   13.008  146.156   13.958  113.138   25.242 33.01839 28.84441 
1 1 1   13   15   15 o  234.679   21.660  143.523   23.632  128.320   33.424  158.719   33.417  220.817   32.387  248.540   28.769 -27.72250 43.31962 
1 1 1   13   15   16 o  146.388   13.146   51.438   8.4871   54.633   14.826   49.881   10.351  148.769   21.325  144.007   15.380 4.761246 26.29204 
1 1 1   13   15   17 f  224.597   18.161  126.407   17.975  130.788   31.131  124.216   22.015  224.671   29.648  224.523   20.981 0.1481781 36.32106 
1 1 1   13   15   18 o   88.799   12.019   19.517   4.8312   27.231   7.0481   12.680   6.6353  106.684   14.136   70.913   19.441 35.77075 24.03704 
1 1 1   13   15   19 o  157.520   10.986   59.626   8.0639   65.649   11.530   53.859   11.282  165.480   14.909  149.560   16.141 15.91965 21.97301 
1 1 1   13   15   20 o  210.010   17.307  111.100   15.909  112.741   19.520  107.854   27.456  214.904   19.436  205.117   28.642 9.786667 34.61349 
1 1 1   13   15   21 o  147.661   17.052   60.261   10.033   67.935   12.133   43.671   17.840  168.011   15.452  127.310   30.403 40.70131 34.10443 
1 1 1   13   15   22 o  155.791   13.629   55.814   9.4983   47.453   11.568   73.111   16.640  139.583   17.733  171.998   20.700 -32.41440 27.25744 
1 1 1   13   15   23 o   58.263   12.497   7.4179   5.0491   15.370   6.0124 -11.6068   9.2995   78.114   16.956   38.413   18.364 39.70142 24.99497 
1 1 1   13   15   24 f   79.852   14.013   17.954   5.6528   23.783   6.9397   6.4598   9.7450   99.221   14.966   60.482   23.695 38.73894 28.02567 
1 1 1   13   15   25 o   69.963   16.040   11.553   5.6385   10.344   6.7603   14.316   10.221   64.481   20.185   75.445   24.933 -10.96410 32.07927 
1 1 1   13   15   26 f  174.517   21.390   98.577   14.708  126.266   18.032   43.544   25.422  227.648   16.949  121.386   39.278 106.2622 42.77935 
1 1 1   13   15   27 o  221.527   16.500  117.416   16.337  102.979   19.919  147.082   28.553  203.426   20.952  239.628   25.496 -36.20221 33.00058 
1 1 1   13   15   28 o  123.474   11.694   37.074   6.7477   36.999   9.4849   37.150   9.6017  123.374   16.450  123.574   16.626 -0.1999054 23.38836 
1 1 1   13   15   29 o  183.627   13.026   83.378   10.953  103.046   15.632   64.410   15.351  206.058   16.232  161.195   20.378 44.86305 26.05253 
1 1 1   13   15   30 o  245.634   15.859  151.794   18.112  135.529   25.658  167.948   25.571  231.483   23.717  259.784   21.061 -28.30133 31.71890 
1 1 1   13   15   31 o   40.058   12.345  -0.9516   4.4351  -4.1058   6.7475   1.4477   5.8850   37.342   17.111   42.774   17.800 -5.431938 24.69022 
1 1 1   13   15   32 o  137.558   16.005   50.051   9.2647   45.244   15.957   52.495   11.379  128.871   27.341  146.245   16.649 -17.37379 32.01093 
1 1 1   13   15   33 o  138.028   10.030   45.601   6.4326   41.769   8.5549   50.586   9.7574  131.510   13.919  144.547   14.444 -13.03717 20.05907 
1 1 1   13   15   34 o  228.854   15.789  135.508   14.244  138.236   16.429  127.247   28.585  238.758   14.723  218.949   27.935 19.80823 31.57781 
1 1 1   13   15   35 o  104.050   15.425   26.724   7.1157   20.539   8.9233   37.526   11.793   88.185   21.780  119.915   21.847 -31.73090 30.84910 
1 1 1   13   15   36 o   47.001   13.819   2.1220   3.6211   1.6878   3.8934   4.9042   9.8555   36.674   14.775   57.328   23.358 -20.65354 27.63874 
1 1 1   13   15   37 o   69.221   17.228   12.354   5.5510   12.354   5.5510   0.0000   0.0000   69.221   17.228  ?   ?       ?      ? 
1 1 1   13   15   38 o  107.977   30.262   34.075   15.884   34.075   15.884   0.0000   0.0000  107.977   30.262  ?   ?       ?      ? 
1 1 1   13   15   39 o  121.262   30.395   43.237   17.192   43.237   17.192   0.0000   0.0000  121.262   30.395  ?   ?       ?      ? 
1 1 1   13   15   40 o  114.385   20.543   34.525   10.578   34.525   10.578   0.0000   0.0000  114.385   20.543  ?   ?       ?      ? 
1 1 1   13   15   41 o  146.445   12.640   48.401   8.1505   33.530   9.8850   79.980   14.405  114.769   18.429  178.122   17.304 -63.35315 25.27996 
1 1 1   13   15   42 o   66.343   16.001   10.494   4.6661   10.356   5.0030   11.422   12.934   63.053   16.709   69.632   27.293 -6.578663 32.00187 
1 1 1   13   15   43 o  163.050   12.124   56.966   8.1749   46.135   9.2943   93.982   17.182  136.139   14.608  189.961   19.353 -53.82288 24.24769 
1 1 1   13   15   44 o   70.236   14.456   14.758   4.9958   16.845   5.6509   7.2893   10.690   80.558   15.573   59.913   24.359 20.64517 28.91159 
1 1 1   13   15   45 f   44.563   13.252   2.8742   3.9353   4.1805   4.2181  -5.8978   10.931   43.561   15.912   45.565   21.194 -2.003517 26.50309 
1 1 1   13   15   46 o   55.299   14.281   7.8351   4.8178   10.054   5.3106  -2.4862   11.452   61.262   17.611   49.336   22.486 11.92589 28.56188 
1 1 1   13   15   47 o   43.793   13.716  -2.0004   3.7854  -3.6441   4.0571   9.0531   10.521   26.890   12.639   60.695   24.346 -33.80508 27.43102 
1 1 1   13   15   48 o   49.015   14.148   4.7081   4.1600   4.9971   4.5087   3.0539   10.788   45.542   16.479   52.488   23.001 -6.946209 28.29524 
1 1 1   13   15   49 o   43.021   14.015  -4.6029   6.5240  -9.2286   8.6366   1.5445   9.9563   36.398   17.479   49.643   21.914 -13.24520 28.03096 
1 1 1   13   15   50 o   33.414   11.317  -5.7937   3.5275  -7.3061   3.8983   1.0415   8.2872   22.029   10.834   44.799   19.873 -22.76974 22.63411 
1 1 1   13   15   51 o   55.636   15.025   7.9013   4.5458   7.2091   5.0183   11.066   10.731   50.968   17.476   60.305   24.447 -9.336353 30.05089 
1 1 1   13   15   52 o   79.593   18.653   23.011   7.9623   19.858   10.259   27.786   12.627   74.493   24.990   84.692   27.699 -10.19890 37.30569 
1 1 1   13   15   53 o   35.577   11.680  -1.0682   4.0006   0.7566   4.3414 -11.3377   10.299   34.090   14.769   37.064   18.098 -2.973301 23.35941 
1 1 1   13   15   54 o   72.560   19.328   19.998   9.1430   34.073   14.598   10.913   11.728   87.479   29.807   57.641   24.613 29.83740 38.65552 
1 1 1   13   15   55 o   53.509   23.855   8.8456   12.092   8.8456   12.092   0.0000   0.0000   53.509   23.855  ?   ?       ?      ? 
1 1 1   13   16    0 o  209.267   13.394  106.656   18.177  106.656   18.177  106.656   18.177  209.267   18.942  209.267   18.942 -0.000000 0.000000 
1 1 1   13   16    1 o  209.493   18.584  106.228   18.195  106.228   18.195   0.0000   0.0000  209.493   18.584  ?   ?       ?      ? 
1 1 1   13   16    2 o  102.209   14.103   24.917   6.7367   24.917   6.7367   0.0000   0.0000  102.209   14.103  ?   ?       ?      ? 
1 1 1   13   16    3 o  175.689   16.035   74.079   13.166   74.079   13.166   0.0000   0.0000  175.689   16.035  ?   ?       ?      ? 
1 1 1   13   16    4 o   52.154   11.756   6.5817   3.3608   8.5446   4.1982   3.0791   5.6081   58.668   15.192   45.641   17.946 13.02720 23.51293 
1 1 1   13   16    5 o   64.509   12.391   10.754   3.8967   12.894   4.9611   7.3086   6.2960   72.103   15.201   56.916   19.571 15.18710 24.78124 
1 1 1   13   16    6 o  285.084   16.033  200.749   21.305  217.931   30.260  183.861   30.001  297.801   21.742  272.366   23.569 25.43481 32.06592 
1 1 1   13   16    7 o  232.271   14.653  132.373   15.864  122.702   22.569  141.816   22.302  223.401   21.617  241.141   19.789 -17.74008 29.30686 
1 1 1   13   16    8 o  175.684   10.309   74.383   8.3083   76.813   10.875   70.978   12.876  179.590   12.957  171.777   16.039 7.814026 20.61872 
1 1 1   13   16    9 o  200.625   12.929   97.862   12.102   93.293   17.308  102.233   16.929  195.772   18.917  205.478   17.629 -9.706146 25.85796 
1 1 1   13   16   10 f  198.363   15.673   96.999   13.795   96.237   17.039   98.449   23.505  198.981   18.322  197.745   25.434 1.235687 31.34624 
1 1 1   13   16   11 o  108.315   11.540   28.115   5.6968   27.438   7.2574   29.203   9.1952  106.984   14.515  109.645   17.945 -2.660599 23.08005 
1 1 1   13   16   12 o  222.339   13.376  120.677   13.882  128.142   19.743  113.376   19.525  229.390   18.416  215.289   19.405 14.10066 26.75269 
1 1 1   13   16   13 o  262.285   18.967  167.881   22.216  151.826   27.161  200.339   38.618  246.566   23.570  278.004   29.724 -31.43820 37.93472 
1 1 1   13   16   14 f  170.980   23.814   72.985   19.029   72.985   19.029   0.0000   0.0000  170.980   23.814  ?   ?       ?      ? 
1 1 1   13   16   15 o  235.607   21.528  143.928   23.655  133.902   33.392  154.028   33.514  226.514   31.543  244.699   29.306 -18.18484 43.05612 
1 1 1   13   16   16 o  152.809   16.027   57.758   11.433   54.214   15.876   61.578   16.480  147.825   22.979  157.794   22.347 -9.968475 32.05402 
1 1 1   13   16   17 o   99.928   14.699   25.995   6.3796   28.094   7.8314   21.854   11.000  108.105   15.501   91.752   24.980 16.35358 29.39846 
1 1 1   13   16   18 o  259.692   17.140  154.930   19.873  120.628   24.178  226.357   34.889  219.652   23.553  299.733   24.906 -80.08182 34.27942 
1 1 1   13   16   19 o  379.800   33.335  387.337   59.169  387.337   59.169   0.0000   0.0000  379.800   33.335  ?   ?       ?      ? 
1 1 1   13   16   20 o  115.533   15.999   36.028   7.7219   39.305   9.3099   28.802   13.823  127.504   15.623  103.561   27.923 23.94298 31.99705 
1 1 1   13   16   21 o  109.392   17.222   31.068   8.5702   26.516   11.532   36.684   12.809  100.185   24.769  118.599   23.934 -18.41389 34.44348 
1 1 1   13   16   22 o  128.068   13.733   36.734   7.6262   27.450   9.1953   57.189   13.649  103.912   19.655  152.224   19.186 -48.31168 27.46631 
1 1 1   13   16   23 o   89.127   15.254   20.548   6.0796   20.670   7.5250   20.321   10.317   90.314   18.452   87.940   24.296 2.374008 30.50842 
1 1 1   13   16   24 o   51.694   12.876   5.0911   4.1672   9.4856   5.9266   0.7941   5.8605   61.768   18.827   41.621   17.569 20.14692 25.75117 
1 1 1   13   16   25 o  170.183   12.315   70.700   9.7923   68.532   13.725   72.948   13.975  167.476   17.535  172.891   17.296 -5.414139 24.63015 
1 1 1   13   16   26 o  182.349   13.027   81.973   10.983   68.353   15.439   95.926   15.627  166.226   19.874  198.473   16.847 -32.24692 26.05343 
1 1 1   13   16   27 o  192.037   13.059   90.426   11.716   87.136   16.423   93.836   16.718  188.389   18.653  195.684   18.280 -7.295593 26.11704 
1 1 1   13   16   28 o  106.679   13.067   28.943   6.1905   20.285   8.7591   37.584   8.7503   88.585   21.397  124.772   15.006 -36.18726 26.13480 
1 1 1   13   16   29 o  245.816   15.579  152.507   17.884  145.857   25.261  159.189   25.323  240.038   22.518  251.594   21.537 -11.55652 31.15888 
1 1 1   13   16   30 o  118.432   15.922   38.864   8.0234   28.632   13.496   44.456   9.9782  101.967   27.632  134.896   15.827 -32.92876 31.84379 
1 1 1   13   16   31 o  195.158   12.909   93.942   11.733   83.898   16.217  104.976   16.998  183.868   18.872  206.448   17.617 -22.57959 25.81718 
1 1 1   13   16   32 f   47.042   15.988   5.0804   4.1995   5.0804   4.1995   0.0000   0.0000   47.042   15.988  ?   ?       ?      ? 
1 1 1   13   16   33 o   45.203   13.398   2.4501   3.3871   2.7059   3.5969   0.4472   10.065   38.502   14.572   51.905   22.488 -13.40256 26.79621 
1 1 1   13   16   34 o   72.581   11.980   12.411   4.0057   7.9667   5.0525   19.931   6.5724   56.434   17.415   88.728   16.456 -32.29361 23.95982 
1 1 1   13   16   35 o   70.704   12.914   7.8639   3.8808   3.8838   4.3072   25.033   8.9459   43.564   16.054   97.845   20.231 -54.28027 25.82746 
1 1 1   13   16   36 o  114.197   13.825   31.768   7.3785   31.768   7.3785   0.0000   0.0000  114.197   13.825  ?   ?       ?      ? 
1 1 1   13   16   37 o   76.304   21.633   15.563   8.0690   15.563   8.0690   0.0000   0.0000   76.304   21.633  ?   ?       ?      ? 
1 1 1   13   16   38 o   92.249   21.790   22.941   9.2446   22.941   9.2446   0.0000   0.0000   92.249   21.790  ?   ?       ?      ? 
1 1 1   13   16   39 o   51.758   15.113   3.0138   6.2133   7.0652   7.8534  -3.7655   10.159   56.942   21.536   46.575   21.209 10.36715 30.22628 
1 1 1   13   16   40 o   59.562   15.793   9.1569   4.4678   9.1569   4.4678   0.0000   0.0000   59.562   15.793  ?   ?       ?      ? 
1 1 1   13   16   41 o   74.003   15.476   8.1577   4.6929   4.4050   5.0851   29.706   12.185   46.172   17.359  101.833   25.625 -55.66077 30.95111 
1 1 1   13   16   42 o   82.979   16.694   13.537   5.0266   10.842   5.3820   31.944   14.066   63.877   17.508  102.080   28.430 -38.20260 33.38866 
1 1 1   13   16   43 o   71.256   18.380   12.719   7.2107   10.602   8.3968   18.664   14.072   63.461   22.544   79.051   29.035 -15.59035 36.76000 
1 1 1   13   16   44 o   91.253   17.762   22.053   7.3025   22.053   7.3025   0.0000   0.0000   91.253   17.762  ?   ?       ?      ? 
1 1 1   13   16   45 o  116.666   17.202   41.002   7.8716   42.508   9.0049   36.122   16.208  129.527   14.876  103.804   31.021 25.72265 34.40354 
1 1 1   13   16   46 o   65.017   15.966   11.675   5.2478   11.566   5.8451   12.129   11.916   64.371   18.467   65.662   26.051 -1.291855 31.93292 
1 1 1   13   16   47 o   86.685   13.487   15.682   4.7803   10.118   5.4023   35.760   10.262   60.579   17.863  112.790   20.210 -52.21134 26.97313 
1 1 1   13   16   48 f   31.529   11.013  -5.5047   3.4596  -5.0391   3.6970  -8.7853   9.8132   23.548   11.341   39.511   18.882 -15.96250 22.02629 
1 1 1   13   16   49 o   43.689   13.741  -0.2001   4.1792  -1.7603   4.5668   7.8393   10.367   31.095   14.183   56.283   23.540 -25.18793 27.48240 
1 1 1   13   16   50 o   44.142   12.647   4.1564   4.0295   6.0878   4.4447  -4.7570   9.5482   47.540   16.438   40.745   19.223 6.795254 25.29350 
1 1 1   13   16   51 o   55.365   14.933   8.3169   4.5179   7.8245   4.9645   10.691   10.900   52.166   17.383   58.564   24.285 -6.398453 29.86544 
1 1 1   13   16   52 o   60.210   16.002   10.191   5.4212   7.8948   6.2358   17.299   10.971   52.186   19.301   68.235   25.528 -16.04865 32.00335 
1 1 1   13   16   53 o   49.419   14.263   6.5916   5.3477   8.7839   6.2427   0.5474   10.365   53.521   19.387   45.317   20.925 8.204323 28.52610 
1 1 1   13   16   54 o   55.643   25.165   10.740   14.003   10.740   14.003   0.0000   0.0000   55.643   25.165  ?   ?       ?      ? 
1 1 1   13   17    0 o  116.540   10.730   33.726   7.8776   33.726   7.8776   33.726   7.8776  116.540   15.175  116.540   15.175 -0.000000 0.000000 
1 1 1   13   17    1 o  204.972   16.016  103.617   14.472  106.773   25.067  102.040   17.724  205.275   26.129  204.670   18.530 0.6046295 32.03235 
1 1 1   13   17    2 o  120.373   22.025   36.815   11.934   36.815   11.934   0.0000   0.0000  120.373   22.025  ?   ?       ?      ? 
1 1 1   13   17    3 o  278.660   36.202  210.963   47.146  210.963   47.146   0.0000   0.0000  278.660   36.202  ?   ?       ?      ? 
1 1 1   13   17    4 o  113.060   21.882   32.546   11.144   32.546   11.144   0.0000   0.0000  113.060   21.882  ?   ?       ?      ? 
1 1 1   13   17    5 o  118.107   14.467   33.444   7.9853   33.444   7.9853   0.0000   0.0000  118.107   14.467  ?   ?       ?      ? 
1 1 1   13   17    6 o   99.610   12.658   22.799   5.3807   20.027   6.4101   29.413   9.8999   91.309   15.021  107.912   20.377 -16.60361 25.31513 
1 1 1   13   17    7 o  154.314   9.9676   56.988   7.1544   64.517   10.290   49.941   9.9545  164.357   13.396  144.270   14.764 20.08655 19.93524 
1 1 1   13   17    8 o  291.600   18.642  215.751   25.329  198.316   35.873  233.084   35.768  278.808   27.531  304.392   25.143 -25.58414 37.28460 
1 1 1   13   17    9 o  167.618   11.938   68.191   9.3000   61.377   13.323   74.664   12.987  159.065   17.923  176.171   15.774 -17.10538 23.87539 
1 1 1   13   17   10 o   46.281   10.953   4.7390   2.6998   5.5229   4.5202   4.3042   3.3662   49.242   16.587   43.320   14.308 5.922081 21.90579 
1 1 1   13   17   11 o   55.507   11.174   7.7413   3.0112   6.3574   4.9999   8.5289   3.7720   52.405   17.444   58.608   13.969 -6.202995 22.34784 
1 1 1   13   17   12 o  116.007   9.7604   31.983   5.2673   33.868   7.9150   30.484   7.0568  118.978   14.235  113.036   13.358 5.941429 19.52087 
1 1 1   13   17   13 o  175.034   17.964   92.396   10.812   53.775   21.713  105.129   12.468  140.007   33.609  210.062   12.700 -70.05499 35.92874 
1 1 1   13   17   14 o  133.012   14.222   47.174   7.0288   38.138   14.137   50.141   8.1010  120.843   25.816  145.182   11.939 -24.33942 28.44332 
1 1 1   13   17   15 o  185.673   15.049   83.674   12.431   91.204   21.432   79.856   15.260  190.356   24.091  180.990   18.041 9.366440 30.09747 
1 1 1   13   17   16 o   80.606   12.006   16.325   4.3750   16.387   6.3542   16.269   6.0328   80.647   17.372   80.565   16.576 0.8192444E-01 24.01110 
1 1 1   13   17   17 o  169.682   11.236   69.748   8.9074   72.362   12.692   67.210   12.504  172.883   15.708  166.480   16.071 6.402878 22.47292 
1 1 1   13   17   18 o  141.358   10.635   47.972   6.7556   67.487   10.098   32.161   9.0892  167.857   12.872  114.858   16.933 52.99912 21.26965 
1 1 1   13   17   19 o  216.848   14.094  116.536   14.282  118.521   20.258  114.573   20.139  218.757   19.815  214.938   20.049 3.818863 28.18843 
1 1 1   13   17   20 o  120.132   11.173   34.990   6.2647   34.907   9.0855   35.065   8.6499  119.881   16.216  120.382   15.375 -0.5012817 22.34619 
1 1 1   13   17   21 o  188.707   12.617   77.672   10.497  127.167   18.612   54.588   12.711  228.197   17.452  149.218   18.227 78.97862 25.23472 
1 1 1   13   17   22 o   72.483   14.210   12.023   4.7220   18.157   8.5684   9.3474   5.6589   83.728   21.714   61.238   18.337 22.49012 28.42072 
1 1 1   13   17   23 o  234.501   18.331  137.559   19.229  128.561   23.690  154.936   32.922  226.263   22.403  242.739   29.021 -16.47575 36.66156 
1 1 1   13   17   24 o  114.365   11.842   31.867   6.3194   30.202   8.9998   33.487   8.8754  111.260   17.308  117.470   16.167 -6.210182 23.68390 
1 1 1   13   17   25 o  145.068   13.980   51.012   8.9681   49.070   10.955   54.959   15.617  142.140   16.491  147.996   22.578 -5.856094 27.95934 
1 1 1   13   17   26 o  178.660   12.668   78.238   10.569   74.574   14.921   81.927   14.972  174.271   18.320  183.048   17.501 -8.777695 25.33594 
1 1 1   13   17   27 o  182.751   12.576   82.347   10.731   85.345   15.092   79.280   15.262  186.357   17.328  179.145   18.229 7.212662 25.15103 
1 1 1   13   17   28 o   95.847   15.760   24.222   6.6572   24.453   8.1794   23.771   11.458   97.919   18.553   93.776   25.481 4.142471 31.51933 
1 1 1   13   17   29 o  128.383   10.074   38.548   5.8770   45.532   9.7795   34.599   7.3528  136.854   15.290  119.913   13.120 16.94147 20.14783 
1 1 1   13   17   30 o  197.409   21.136  118.629   16.132   70.959   27.447  143.788   19.940  153.198   38.408  241.620   17.658 -88.42249 42.27250 
1 1 1   13   17   31 f  164.723   12.591   60.004   8.6359   84.269   17.609   52.320   9.9094  182.685   20.625  146.760   14.448 35.92424 25.18157 
1 1 1   13   17   32 o   71.039   10.257   13.066   3.4116   5.9995   4.8312   20.095   4.8184   50.518   17.148   91.561   11.260 -41.04252 20.51450 
1 1 1   13   17   33 o   93.227   9.5038   21.103   4.1219   20.931   6.1085   21.248   5.5851   92.703   14.099   93.750   12.747 -1.047035 19.00755 
1 1 1   13   17   34 o  178.558   11.759   79.496   9.7281   68.853   13.856   89.843   13.662  165.906   17.870  191.210   15.288 -25.30379 23.51706 
1 1 1   13   17   35 o  121.771   14.287   35.711   7.6878   28.925   9.4461   49.024   13.231  105.211   19.941  138.331   20.465 -33.12009 28.57388 
1 1 1   13   17   36 o  173.192   12.326   72.679   9.9767   72.679   9.9767   0.0000   0.0000  173.192   12.326  ?   ?       ?      ? 
1 1 1   13   17   37 o  119.261   18.942   41.074   10.906   24.140   15.505   57.652   15.342   90.445   30.720  148.078   22.169 -57.63344 37.88401 
1 1 1   13   17   38 o   53.081   16.328   1.2405   6.6438   0.2100   7.6773   4.3137   13.258   44.990   19.566   61.171   26.146 -16.18087 32.65619 
1 1 1   13   17   39 o   73.750   17.545   15.557   7.4954   19.301   8.7056   4.8296   14.736   83.919   21.947   63.582   27.379 20.33690 35.08953 
1 1 1   13   17   40 o   56.716   15.417   6.1288   4.1818   5.7023   4.4582   9.2519   12.065   48.476   16.473   64.956   26.065 -16.47981 30.83405 
1 1 1   13   17   41 f  111.190   16.249   34.759   6.7602   34.983   7.5768   33.886   14.970  118.655   13.663  103.726   29.487 14.92916 32.49894 
1 1 1   13   17   42 o   78.304   20.041   18.064   9.6367   21.847   12.955   13.379   14.419   84.754   28.073   71.853   28.609 12.90084 40.08246 
1 1 1   13   17   43 o   63.981   17.032   9.0287   5.4291   8.1476   5.8903   14.003   13.996   56.137   18.935   71.824   28.316 -15.68702 34.06366 
1 1 1   13   17   44 o   55.847   15.631   6.9603   4.8048   7.3064   5.1372   4.5429   13.577   52.921   17.684   58.774   25.779 -5.852520 31.26120 
1 1 1   13   17   45 o   50.421   22.425   1.4930   10.619   1.4930   10.619   0.0000   0.0000   50.421   22.425  ?   ?       ?      ? 
1 1 1   13   17   46 o   73.830   19.100   17.346   8.9350   21.256   11.477   11.330   14.236   81.522   26.392   66.138   27.617 15.38328 38.20014 
1 1 1   13   17   47 o   50.066   14.818   4.4315   4.8769   4.1231   5.4284   5.7221   11.105   44.662   17.626   55.470   23.824 -10.80844 29.63573 
1 1 1   13   17   48 o   54.823   15.108  -0.5872   4.0431  -3.6683   4.2823   24.707   12.270   27.366   12.900   82.281   27.324 -54.91513 30.21558 
1 1 1   13   17   49 o   35.551   12.039  -3.0074   3.7348  -3.2276   4.0209  -1.6228   10.083   26.781   12.585   44.321   20.526 -17.54086 24.07732 
1 1 1   13   17   50 o   36.935   12.385  -1.4473   3.6927  -1.4256   3.9280  -1.6127   10.832   28.900   13.171   44.970   20.978 -16.06979 24.76987 
1 1 1   13   17   51 f   45.832   13.714   4.3631   4.7890   5.7577   5.3667  -1.0884   10.611   46.745   17.773   44.919   20.890 1.825916 27.42764 
1 1 1   13   17   52 o   67.071   18.516   19.218   8.9218   12.718   14.642   23.057   11.252   58.776   26.223   75.367   26.149 -16.59082 37.03288 
1 1 1   13   18    1 o  126.870   20.742   39.511   12.298   0.0000   0.0000   39.511   12.298  ?   ?   126.870   20.742      ?      ? 
1 1 1   13   18    2 o  200.559   26.601  101.808   24.933   0.0000   0.0000  101.808   24.933  ?   ?   200.559   26.601      ?      ? 
1 1 1   13   18    3 o  147.990   15.664   59.486   9.3486   42.481   16.006   68.291   11.517  127.134   27.720  168.845   14.596 -41.71053 31.32741 
1 1 1   13   18    4 o   40.086   10.873   2.2882   2.9383   0.4166   4.0257   4.4222   4.2986   34.578   14.577   45.593   16.137 -11.01460 21.74646 
1 1 1   13   18    5 o   91.009   8.6178   19.261   3.6193   22.610   5.6958   16.992   4.6873   97.456   12.506   84.562   11.861 12.89323 17.23554 
1 1 1   13   18    6 o  225.221   14.853  116.845   13.849  108.173   15.969  143.158   27.817  211.819   16.132  238.622   24.944 -26.80351 29.70555 
1 1 1   13   18    7 o  172.120   14.059   74.129   9.6250   75.671   11.120   69.520   19.221  177.982   13.368  166.260   24.737 11.72203 28.11834 
1 1 1   13   18    8 o  254.126   15.609  163.669   17.746  215.894   25.167  112.021   25.028  297.816   18.082  210.436   25.449 87.38014 31.21832 
1 1 1   13   18    9 o  208.673   12.411  106.753   11.761  101.693   18.714  110.057   15.121  203.511   19.676  213.836   15.130 -10.32487 24.82113 
1 1 1   13   18   10 o  112.360   9.0624   29.421   4.5815   32.856   7.7590   27.582   5.6768  116.996   14.190  107.724   11.276 9.272217 18.12486 
1 1 1   13   18   11 o  120.808   9.9065   35.017   5.3431   35.098   8.9856   34.972   6.6457  120.437   15.964  121.179   11.735 -0.7427063 19.81305 
1 1 1   13   18   12 o  299.279   19.477  222.954   23.744  251.965   47.650  213.371   27.386  304.690   33.463  293.869   19.940 10.82074 38.95329 
1 1 1   13   18   13 o  138.454   13.208   47.018   8.0276   47.396   13.955   46.831   9.8141  137.679   21.687  139.229   15.083 -1.549332 26.41653 
1 1 1   13   18   14 o  147.607   12.167   52.216   7.2212   55.172   14.666   51.270   8.2966  148.714   21.102  146.501   12.118 2.212784 24.33349 
1 1 1   13   18   15 o   52.553   11.361   5.9108   3.6206  -0.6325   5.3138   11.581   4.9464   37.291   16.247   67.815   15.886 -30.52468 22.72277 
1 1 1   13   18   16 f  162.100   11.481   63.889   8.6898   61.659   12.386   66.051   12.195  159.152   16.652  165.048   15.810 -5.896393 22.96161 
1 1 1   13   18   17 o  206.746   13.678  105.613   13.174   96.378   18.633  114.841   18.627  197.191   20.219  216.302   18.427 -19.11165 27.35593 
1 1 1   13   18   18 o  308.088   18.846  245.129   27.127  238.926   38.419  251.296   38.307  303.746   27.064  312.430   26.235 -8.684479 37.69265 
1 1 1   13   18   19 o  118.274   11.338   34.340   6.1803   30.423   9.1626   37.609   8.3715  111.574   17.572  124.974   14.333 -13.39968 22.67588 
1 1 1   13   18   20 o   62.306   12.214   8.8155   3.9264   15.454   6.0731   4.0474   5.1468   78.245   17.086   46.366   17.458 31.87979 24.42793 
1 1 1   13   18   21 o  145.633   11.253   51.352   7.6539   52.916   11.076   49.921   10.589  147.712   16.044  143.555   15.783 4.156693 22.50609 
1 1 1   13   18   22 o  421.277   25.656  494.006   50.408  463.007   71.273  525.029   71.301  405.541   37.605  437.012   34.911 -31.47067 51.31210 
1 1 1   13   18   23 o  132.430   10.536   42.283   6.4931   47.705   9.3719   37.277   9.0043  140.768   14.246  124.093   15.526 16.67529 21.07130 
1 1 1   13   18   24 o  192.212   13.034   91.337   11.678   84.743   16.601   97.796   16.431  184.891   19.213  199.533   17.620 -14.64168 26.06898 
1 1 1   13   18   25 o  234.443   19.745  148.403   20.134  153.229   24.810  139.097   34.456  245.932   21.586  222.952   33.068 22.98003 39.48975 
1 1 1   13   18   26 o  253.762   16.073  164.369   19.050  157.925   26.917  170.836   26.965  248.340   23.192  259.184   22.261 -10.84457 32.14695 
1 1 1   13   18   27 o  170.646   12.666   71.657   10.042   82.340   14.529   61.885   13.895  183.264   16.963  158.027   18.815 25.23685 25.33255 
1 1 1   13   18   28 o   66.374   13.045   10.248   3.8861   14.217   7.3145   8.6876   4.5870   74.067   20.456   58.682   16.196 15.38500 26.09088 
1 1 1   13   18   29 o   66.351   13.140   12.431   4.2033   3.5194   9.7125   14.485   4.6626   55.204   22.911   77.498   12.873 -22.29358 26.27972 
1 1 1   13   18   30 o  105.800   12.263   26.965   6.0634   0.0000   0.0000   26.965   6.0634  ?   ?   105.800   12.263      ?      ? 
1 1 1   13   18   31 o  154.569   12.431   53.037   7.5906   72.676   16.703   47.925   8.5213  168.432   21.219  140.706   12.958 27.72621 24.86271 
1 1 1   13   18   32 o   91.083   10.872   20.826   4.4506   16.448   6.2411   25.356   6.3484   79.978   17.208  102.188   13.293 -22.20993 21.74417 
1 1 1   13   18   33 o  156.527   10.080   59.028   7.2979   53.933   9.5264   66.267   11.354  148.740   13.704  164.315   14.786 -15.57533 20.15992 
1 1 1   13   18   34 o   57.546   14.086   7.7246   3.9377   7.8293   4.3429   7.2409   9.3362   55.443   15.922   59.650   23.242 -4.206524 28.17221 
1 1 1   13   18   35 o   82.582   12.090   17.007   4.2400   16.391   5.0489   18.481   7.8096   81.965   13.180   83.200   20.271 -1.234764 24.17908 
1 1 1   13   18   36 o  153.046   18.489   65.837   11.579   62.336   21.012   67.364   13.876  143.287   32.167  162.806   18.237 -19.51877 36.97702 
1 1 1   13   18   37 o  122.988   15.727   39.372   8.4956   36.317   10.531   45.065   14.377  118.972   18.940  127.004   25.112 -8.031693 31.45381 
1 1 1   13   18   38 o   46.965   13.570   3.2650   4.6284   1.3620   7.8972   4.2607   5.7123   46.885   20.113   47.045   18.221 -0.1594162 27.13935 
1 1 1   13   18   39 o   99.006   12.048   26.462   5.0283   28.742   6.2311   22.205   8.5139  108.192   12.323   89.821   20.706 18.37185 24.09580 
1 1 1   13   18   40 o   69.251   14.447   13.384   4.9343   14.428   6.0490   11.309   8.5305   73.462   17.805   65.040   22.757 8.422096 28.89453 
1 1 1   13   18   41 o  101.035   17.168   32.329   8.3865   18.508   14.419   39.395   10.310   78.764   29.306  123.305   17.890 -44.54107 34.33532 
1 1 1   13   18   42 o   82.524   12.915   18.252   4.6086   18.293   5.5254   18.158   8.3544   85.392   13.845   79.656   21.805 5.736214 25.82918 
1 1 1   13   18   43 o   67.704   16.410   12.990   5.3331   13.186   5.7568   11.801   14.164   69.062   17.742   66.347   27.612 2.715637 32.82044 
1 1 1   13   18   44 o   62.011   17.954   9.4118   8.5478   13.387   11.101   3.6221   13.397   67.291   25.567   56.730   25.212 10.56074 35.90706 
1 1 1   13   18   45 o   58.762   14.861   9.8069   5.3286   12.202   5.9766   0.5219   11.767   66.037   18.582   51.487   23.196 14.55005 29.72132 
1 1 1   13   18   46 o   44.060   14.498  -3.1403   6.0125  -5.2728   6.8874   3.6908   12.327   34.393   16.257   53.727   24.009 -19.33430 28.99545 
1 1 1   13   18   47 o   49.132   13.921   6.0045   4.5495   7.6653   4.8577  -5.8529   12.979   52.274   17.184   45.991   21.906 6.282177 27.84216 
1 1 1   13   18   48 o   76.803   18.703   19.888   7.5639   15.868   8.9879   29.646   14.003   68.455   23.388   85.151   29.192 -16.69582 37.40593 
1 1 1   13   18   49 o   46.806   19.658   4.6418   7.2763   4.6418   7.2763   0.0000   0.0000   46.806   19.658  ?   ?       ?      ? 
1 1 1   13   18   50 o   59.986   17.980   12.360   8.7661   13.538   11.861   10.943   13.013   61.514   25.406   58.457   25.448 3.057133 35.95951 
1 1 1   13   18   51 o   44.360   20.961  -1.3162   11.430  -1.3162   11.430   0.0000   0.0000   44.360   20.961  ?   ?       ?      ? 
1 1 1   13   19    0 o  120.253   17.122   38.745   12.061   38.745   12.061   38.745   12.061  120.253   24.214  120.253   24.214 -0.000000 0.000000 
1 1 1   13   19    1 o  150.623   13.340   55.396   8.8527   54.699   10.837   56.794   15.348  150.433   15.414  150.812   21.776 -0.3792725 26.67957 
1 1 1   13   19    2 o  122.638   13.971   39.339   7.1370   42.694   8.7784   32.796   12.258  133.258   14.095  112.017   24.127 21.24101 27.94298 
1 1 1   13   19    3 o  341.940   37.850  385.872   57.143  468.249   80.901  303.857   80.723  395.577   43.760  288.303   61.770 107.2741 75.70031 
1 1 1   13   19    4 o  182.035   13.783   82.033   10.018   81.090   20.159   82.342   11.545  178.765   24.129  185.304   13.331 -6.539307 27.56639 
1 1 1   13   19    5 o  237.966   19.221  152.249   17.760  134.693   35.556  158.085   20.501  221.403   34.363  254.529   17.234 -33.12677 38.44210 
1 1 1   13   19    6 o  311.769   16.991  246.880   24.203  246.236   38.279  247.309   31.240  308.702   26.533  314.836   21.232 -6.134552 33.98187 
1 1 1   13   19    7 o  207.539   11.500  104.264   10.942  106.877   17.309  102.524   14.121  208.946   17.725  206.133   14.658 2.813232 23.00080 
1 1 1   13   19    8 o  242.066   18.845  149.443   20.194  159.152   34.847  144.533   24.779  244.201   30.533  239.932   22.098 4.269012 37.69043 
1 1 1   13   19    9 o  137.417   15.685   53.755   8.6107   33.282   14.583   64.713   10.669  110.825   28.113  164.008   13.919 -53.18386 31.36992 
1 1 1   13   19   10 o  236.272   17.799  139.555   18.664  154.290   32.363  132.213   22.845  242.414   28.566  230.131   21.241 12.28261 35.59775 
1 1 1   13   19   11 o  108.959   11.530   27.956   4.8870   31.765   10.133   26.802   5.5787  111.823   20.129  106.095   11.251 5.727577 23.05974 
1 1 1   13   19   12 o  131.685   12.287   39.609   7.2593   52.742   12.624   33.122   8.8731  146.585   18.428  116.786   16.257 29.79936 24.57384 
1 1 1   13   19   13 o   95.381   11.324   22.036   4.8103   30.517   7.2799   15.464   6.4088  112.698   13.822   78.064   17.942 34.63315 22.64876 
1 1 1   13   19   14 o  296.112   18.100  226.863   24.450  280.134   34.692  174.290   34.465  334.264   22.208  257.960   28.588 76.30338 36.19984 
1 1 1   13   19   15 o  193.801   12.805   92.005   11.595   94.766   16.576   89.359   16.226  196.685   18.033  190.917   18.186 5.767929 25.61080 
1 1 1   13   19   16 o  269.254   16.612  183.310   20.903  182.612   29.617  184.003   29.508  268.660   23.588  269.848   23.398 -1.187347 33.22400 
1 1 1   13   19   17 o  149.629   11.192   54.064   7.8097   59.156   11.396   49.554   10.724  156.327   15.598  142.932   16.054 13.39548 22.38364 
1 1 1   13   19   18 o  217.235   12.400  110.538   12.330  145.151   19.820   88.690   15.747  243.932   17.386  190.537   17.684 53.39429 24.79930 
1 1 1   13   19   19 o  145.378   10.022   50.968   6.7608   49.566   10.097   52.107   9.1027  143.289   15.078  147.466   13.208 -4.177597 20.04445 
1 1 1   13   19   20 o  170.807   11.159   70.888   8.5832   70.302   14.106   71.232   10.816  169.384   17.819  172.231   13.437 -2.847137 22.31763 
1 1 1   13   19   21 o  130.137   9.2179   40.310   5.2592   41.888   9.2580   39.558   6.3904  131.385   15.077  128.889   10.609 2.496277 18.43575 
1 1 1   13   19   22 o  275.232   14.411  189.117   18.127  196.266   28.968  184.517   23.239  277.546   22.332  272.918   18.220 4.628326 28.82157 
1 1 1   13   19   23 o  238.587   12.917  140.878   14.362  155.051   20.595  127.460   20.038  250.766   17.573  226.408   18.937 24.35748 25.83468 
1 1 1   13   19   24 o  193.673   13.584   93.634   12.097  113.742   17.312   74.450   16.909  215.238   17.211  172.107   21.022 43.13110 27.16885 
1 1 1   13   19   25 o  126.363   11.579   41.886   6.0240   32.546   10.231   46.842   7.4527  112.719   20.162  140.008   11.390 -27.28951 23.15702 
1 1 1   13   19   26 f  192.898   12.865   92.371   11.539  104.283   16.555   81.115   16.093  205.578   17.231  180.217   19.108 25.36098 25.72948 
1 1 1   13   19   27 o  102.385   15.616   27.431   6.5169   27.018   13.008   27.570   7.5300   98.580   27.300  106.191   15.173 -7.611145 31.23271 
1 1 1   13   19   28 o  199.357   16.509   98.171   15.382   0.0000   0.0000   98.171   15.382  ?   ?   199.357   16.509      ?      ? 
1 1 1   13   19   29 o  209.464   19.070  110.615   18.668   0.0000   0.0000  110.615   18.668  ?   ?   209.464   19.070      ?      ? 
1 1 1   13   19   30 o  122.745   19.797   42.372   11.055   44.184   16.576   40.921   14.836  124.357   29.047  121.133   26.907 3.224571 39.59372 
1 1 1   13   19   31 o  273.023   16.703  196.803   21.305  203.931   30.326  189.857   29.937  278.309   23.315  267.737   23.925 10.57172 33.40686 
1 1 1   13   19   32 o   84.738   13.791   20.271   5.4522   12.339   9.0107   24.853   6.8482   68.929   23.419  100.548   14.573 -31.61932 27.58279 
1 1 1   13   19   33 o  114.578   9.3514   29.396   4.7856   20.978   5.9112   45.405   8.1524   92.572   13.663  136.584   12.772 -44.01192 18.70285 
1 1 1   13   19   34 o  127.958   10.554   41.343   6.0304   43.881   7.6572   37.198   9.7857  134.424   12.188  121.493   17.234 12.93050 21.10882 
1 1 1   13   19   35 o  249.720   16.936  168.730   19.719  157.651   27.948  179.712   27.826  240.183   24.898  259.257   22.965 -19.07405 33.87211 
1 1 1   13   19   36 o   70.033   13.550   13.489   4.4068   11.187   8.1133   14.452   5.2484   65.212   22.222   74.854   15.512 -9.642517 27.10038 
1 1 1   13   19   37 o   73.661   16.349   14.863   6.1720   12.777   7.9371   18.052   9.8164   68.172   21.935   79.150   24.250 -10.97826 32.69868 
1 1 1   13   19   38 o   45.905   11.814   4.6973   3.2703   4.1067   4.3886   5.4347   4.9041   43.672   16.184   48.137   17.215 -4.464382 23.62793 
1 1 1   13   19   39 o  142.936   9.9448   50.719   6.5596   49.689   8.5941   52.157   10.153  141.875   12.961  143.998   15.086 -2.122940 19.88966 
1 1 1   13   19   40 o   53.781   14.050   5.9656   4.4842   10.653   7.8562   3.7008   5.4611   62.815   21.847   44.747   17.673 18.06787 28.10035 
1 1 1   13   19   41 o   74.176   12.012   14.444   4.0220   12.122   5.1664   18.014   6.4078   66.906   16.602   81.446   17.365 -14.53987 24.02386 
1 1 1   13   19   42 o   55.176   13.948   8.0429   4.7478   4.3858   7.3630   10.646   6.2117   48.857   20.080   61.496   19.365 -12.63917 27.89629 
1 1 1   13   19   43 o   73.584   16.833   15.747   6.1937   17.878   11.666   14.910   7.3089   75.194   26.587   71.974   20.651 3.220093 33.66551 
1 1 1   13   19   44 o   64.195   13.654   12.322   4.7606   15.964   6.1260   6.7684   7.5641   75.544   17.667   52.846   20.822 22.69841 27.30712 
1 1 1   13   19   45 o  112.370   11.844   32.860   5.9949   28.478   7.3855   41.323   10.264  103.288   15.300  121.452   18.084 -18.16450 23.68754 
1 1 1   13   19   46 o   84.241   14.086   20.317   5.5700   13.027   7.1611   31.481   8.8624   64.613   20.840  103.868   18.955 -39.25557 28.17125 
1 1 1   13   19   47 o   45.371   14.410   1.4541   6.4688  -4.3088   10.992   4.5074   8.0009   43.109   20.425   47.633   20.334 -4.524036 28.82095 
1 1 1   13   19   48 o   48.037   13.686   5.7668   4.6494   6.1903   5.8092   5.0120   7.7553   48.126   18.445   47.949   20.224 0.1770554 27.37215 
1 1 1   13   19   49 f   61.539   16.275   12.828   5.7914   12.715   6.4360   13.307   13.277   63.032   19.689   60.045   25.921 2.987511 32.55085 
1 1 1   13   19   50 o   49.811   18.734   7.5528   5.9236   7.5528   5.9236   0.0000   0.0000   49.811   18.734  ?   ?       ?      ? 
1 1 1   13   20    0 o  213.871   13.800  112.433   19.134  112.433   19.134  112.433   19.134  213.871   19.517  213.871   19.517 -0.000000 0.000000 
1 1 1   13   20    1 o   62.309   12.616   10.468   4.1113   3.6663   7.3464   13.570   4.9610   50.841   20.361   73.776   14.901 -22.93502 25.23168 
1 1 1   13   20    2 o   52.853   12.482   5.0395   3.5920   2.2686   4.3568   10.920   6.3471   39.873   15.774   65.833   19.348 -25.95936 24.96309 
1 1 1   13   20    3 o   73.377   10.935   14.065   3.7077   8.1025   5.5269   18.943   4.9995   57.662   18.278   89.092   12.007 -31.42950 21.86944 
1 1 1   13   20    4 f  163.677   11.258   65.213   8.5641   58.118   12.193   72.123   12.032  154.483   16.888  172.872   14.893 -18.38892 22.51641 
1 1 1   13   20    5 o  150.583   16.133   57.127   11.327   52.969   16.022   61.282   16.016  144.675   23.697  156.492   21.899 -11.81731 32.26616 
1 1 1   13   20    6 o  101.224   12.061   25.694   4.8073   24.658   9.4364   26.057   5.5867   97.855   21.243  104.593   11.429 -6.737251 24.12235 
1 1 1   13   20    7 o  196.278   16.120   98.966   13.699   90.629   23.677  103.161   16.796  187.043   27.086  205.512   17.488 -18.46931 32.24061 
1 1 1   13   20    8 o  120.966   14.826   40.466   7.3757   27.467   12.502   47.406   9.1347  101.505   26.183  140.428   13.919 -38.92388 29.65257 
1 1 1   13   20    9 o  177.146   12.882   76.045   9.2171   78.745   18.490   75.152   10.632  177.117   22.337  177.175   12.841 -0.5731201E-01 25.76486 
1 1 1   13   20   10 o  120.412   14.058   37.784   7.0687   32.342   12.215   40.524   8.6676  111.092   24.210  129.733   14.296 -18.64050 28.11580 
1 1 1   13   20   11 o  100.394   13.711   26.534   5.8500   21.732   10.121   28.943   7.1687   91.074   23.590  109.714   13.981 -18.64037 27.42199 
1 1 1   13   20   12 f  100.307   11.845   22.601   5.2030   34.491   9.0431   16.717   6.3614  119.202   16.233   81.412   17.255 37.78974 23.69060 
1 1 1   13   20   13 o   49.003   12.503   5.0238   3.8103   0.8239   6.5622   7.1601   4.6802   43.828   18.551   54.178   16.768 -10.34982 25.00628 
1 1 1   13   20   14 o  106.049   13.859   30.108   6.1196   23.171   10.690   33.490   7.4636   93.936   24.200  118.163   13.515 -24.22641 27.71846 
1 1 1   13   20   15 o  142.885   15.234   56.915   7.8598   41.973   15.945   61.711   9.0334  124.971   27.996  160.798   12.021 -35.82746 30.46740 
1 1 1   13   20   16 o   93.672   10.620   22.061   4.2006   19.996   7.2372   23.111   5.1584   88.854   18.044   98.490   11.207 -9.636139 21.24093 
1 1 1   13   20   17 o   75.032   11.205   14.483   3.5207   12.648   6.5947   15.214   4.1638   70.211   19.436   79.852   11.157 -9.640648 22.41074 
1 1 1   13   20   18 o  131.469   11.013   42.244   6.7485   40.403   9.7572   43.932   9.3439  128.474   16.251  134.465   14.869 -5.991501 22.02633 
1 1 1   13   20   19 o  149.704   10.342   55.845   6.8677   49.161   11.252   59.813   8.6699  141.378   17.030  158.029   11.739 -16.65018 20.68396 
1 1 1   13   20   20 o   65.578   11.461   9.0551   3.4407   17.597   6.2363   5.3173   4.1254   83.512   16.564   47.644   15.845 35.86775 22.92168 
1 1 1   13   20   21 o   53.893   11.467   4.3078   4.1294   14.441   5.9173  -5.3124   5.7655   75.350   17.184   32.436   15.188 42.91457 22.93383 
1 1 1   13   20   22 o   51.621   12.422   5.3807   3.0449   8.1751   6.7403   4.6642   3.4130   58.847   20.249   44.396   14.394 14.45112 24.84407 
1 1 1   13   20   23 o   45.389   11.873   3.8916   2.8961   4.8819   6.1943   3.6146   3.2762   50.292   19.101   40.486   14.107 9.806259 23.74549 
1 1 1   13   20   24 o   95.710   15.213   22.783   4.9572   25.101   13.287   22.408   5.3431   94.844   28.028   96.575   11.838 -1.731117 30.42519 
1 1 1   13   20   25 o   37.519   12.401  -2.2773   2.9567  -0.0156   9.8176  -2.5029   3.1007   50.510   22.043   24.527   11.367 25.98338 24.80169 
1 1 1   13   20   26 o  111.116   16.172   34.683   6.3099   28.970   15.120   35.888   6.9434  100.238   29.964  121.994   12.179 -21.75628 32.34403 
1 1 1   13   20   27 o  123.967   14.736   37.639   8.5372   0.0000   0.0000   37.639   8.5372  ?   ?   123.967   14.736      ?      ? 
1 1 1   13   20   28 o  148.297   17.360   58.749   11.738   65.432   17.099   52.792   16.143  157.908   23.170  138.686   25.858 19.22188 34.71972 
1 1 1   13   20   29 o  101.400   16.510   28.439   7.4477   29.779   9.2820   26.016   12.479  107.000   19.270   95.800   26.814 11.19977 33.01994 
1 1 1   13   20   30 o   62.077   15.810   7.7509   6.0611   2.7369   7.8579   15.116   9.5236   49.373   20.559   74.782   24.024 -25.40903 31.61993 
1 1 1   13   20   31 o   51.733   14.999   3.3399   5.7051   1.3337   7.3281   6.4269   9.0902   45.811   19.506   57.655   22.792 -11.84426 29.99877 
1 1 1   13   20   32 o   53.618   14.879   2.9462   5.7594  -2.8301   7.4575   11.483   9.0662   40.418   18.314   66.817   23.456 -26.39912 29.75896 
1 1 1   13   20   33 o   39.400   12.184  -3.4177   4.8449 -12.9677   7.3703   3.8493   6.4293   30.919   15.142   47.881   19.092 -16.96148 24.36754 
1 1 1   13   20   34 o   85.182   13.529   18.393   5.0077   22.925   8.8121   16.231   6.0859   91.662   21.019   78.703   17.040 12.95898 27.05801 
1 1 1   13   20   35 o   73.263   14.862   13.832   5.3469   20.543   8.7008   9.7595   6.7776   85.707   21.700   60.819   20.312 24.88805 29.72361 
1 1 1   13   20   36 o  101.755   10.945   26.184   5.1925   27.848   7.2959   24.477   7.3916  105.352   14.818   98.158   16.113 7.194359 21.89058 
1 1 1   13   20   37 o   58.148   13.299   8.4673   3.9304   7.5853   4.7856   10.295   6.8892   54.149   16.989   62.146   20.466 -7.997375 26.59855 
1 1 1   13   20   38 o   67.885   12.205   12.430   3.8583   12.869   5.0714   11.828   5.9451   69.831   15.896   65.939   18.525 3.891457 24.41063 
1 1 1   13   20   39 o   58.039   13.328   9.3463   4.6384   2.0089   7.8334   13.308   5.7560   46.404   19.972   69.674   17.655 -23.27012 26.65659 
1 1 1   13   20   40 o   33.673   11.228  -5.1764   4.2727  -2.3972   7.3154  -6.6153   5.2638   39.125   17.887   28.220   13.576 10.90495 22.45533 
1 1 1   13   20   41 o   50.545   13.191   6.3952   4.0025   7.6552   4.5577   2.1477   8.3680   53.552   16.543   47.539   20.550 6.012413 26.38159 
1 1 1   13   20   42 o   54.059   15.158   5.8577   4.8297   10.964   10.518   4.4933   5.4367   62.529   24.580   45.590   17.743 16.93896 30.31539 
1 1 1   13   20   43 o   45.291   11.492   3.7504   3.3616  -0.1524   4.3553   9.5016   5.2870   32.928   14.516   57.653   17.819 -24.72527 22.98318 
1 1 1   13   20   44 o   31.395   9.9872  -1.3199   2.9382  -2.5841   3.6516   1.0012   4.9482   26.183   12.203   36.606   15.814 -10.42311 19.97437 
1 1 1   13   20   45 o   65.117   13.804   11.503   4.8872   21.554   7.8439   5.1251   6.2483   83.641   20.277   46.592   18.736 37.04944 27.60780 
1 1 1   13   20   46 o   59.250   13.087   10.391   3.9191   9.7563   4.9140   11.501   6.4966   57.748   17.039   60.752   19.868 -3.004047 26.17400 
1 1 1   13   20   47 o   75.147   13.769   17.320   4.8568   15.470   6.4866   19.681   7.3269   70.764   19.148   79.530   19.792 -8.765678 27.53863 
1 1 1   13   20   48 o   34.140   11.252  -2.0066   4.2075  -1.4174   5.1632  -3.1713   7.2594   32.480   14.914   35.799   16.851 -3.319126 22.50302 
1 1 1   13   21    0 o   90.567   12.060   21.413   6.4709   21.413   6.4709   21.413   6.4709   90.567   17.055   90.567   17.055 -0.000000 0.000000 
1 1 1   13   21    1 o  212.929   13.482  111.576   13.413  114.846   19.012  108.336   18.924  216.174   18.819  209.684   19.312 6.490021 26.96438 
1 1 1   13   21    2 o  107.708   10.374   28.030   5.1925   24.582   7.3110   31.540   7.3759  100.811   15.518  114.605   13.771 -13.79366 20.74711 
1 1 1   13   21    3 o  129.153   10.618   35.052   5.7538   53.039   11.703   29.318   6.6075  147.600   16.965  110.705   12.771 36.89539 21.23505 
1 1 1   13   21    4 o   75.207   11.099   14.595   3.8598   8.4966   5.6250   20.021   5.3062   58.866   18.410   91.548   12.402 -32.68195 22.19773 
1 1 1   13   21    5 o  284.366   17.980  206.797   23.861  195.554   33.788  217.983   33.701  275.893   26.205  292.838   24.625 -16.94507 35.95924 
1 1 1   13   21    6 o  335.345   20.358  294.357   31.905  291.646   45.171  297.055   45.069  333.574   28.975  337.117   28.606 -3.542999 40.71672 
1 1 1   13   21    7 o  292.082   30.464  268.342   34.852  197.962   60.335  303.585   42.695  241.015   54.804  343.150   26.623 -102.1347 60.92825 
1 1 1   13   21    8 o  182.231   15.381   83.127   12.331   82.566   21.219   83.414   15.152  179.684   25.268  184.778   17.546 -5.093460 30.76280 
1 1 1   13   21    9 o  146.632   12.961   51.617   8.4410   56.660   14.635   49.104   10.333  150.875   20.756  142.387   15.527 8.487869 25.92110 
1 1 1   13   21   10 o  242.126   20.399  159.181   21.141  140.480   36.498  168.624   25.935  224.789   34.742  259.462   21.388 -34.67299 40.79786 
1 1 1   13   21   11 o  182.489   17.074   89.718   12.898   74.324   22.002   97.779   15.921  165.192   29.585  199.786   17.051 -34.59332 34.14727 
1 1 1   13   21   12 o  242.424   22.990  171.146   20.348  142.830   40.719  180.572   23.492  214.951   42.040  269.897   18.624 -54.94563 45.98068 
1 1 1   13   21   13 o  179.576   12.397   72.361   9.2011   95.892   18.812   64.962   10.549  195.206   20.621  163.946   13.768 31.25983 24.79442 
1 1 1   13   21   14 o  185.838   17.713   95.419   13.417   75.467   22.975  105.745   16.527  164.354   31.049  207.321   17.058 -42.96764 35.42567 
1 1 1   13   21   15 o  110.567   13.588   30.867   6.4151   30.812   11.147   30.895   7.8443  108.335   22.741  112.799   14.880 -4.463890 27.17674 
1 1 1   13   21   16 o  102.064   13.965   27.723   6.0124   22.777   10.556   30.098   7.3150   92.504   24.155  111.623   14.022 -19.11971 27.92975 
1 1 1   13   21   17 o  145.729   12.717   48.860   8.3137   65.957   14.464   40.424   10.160  163.047   18.982  128.411   16.929 34.63568 25.43444 
1 1 1   13   21   18 o  194.202   16.281   96.194   13.877   96.678   24.003   95.952   17.007  191.619   26.803  196.786   18.492 -5.167892 32.56286 
1 1 1   13   21   19 o  169.652   12.580   68.080   9.5949   83.184   16.489   60.347   11.798  182.372   19.346  156.933   16.086 25.43878 25.16026 
1 1 1   13   21   20 o  138.717   12.807   42.625   7.5390   61.428   14.921   36.180   8.7360  155.806   20.492  121.628   15.369 34.17818 25.61470 
1 1 1   13   21   21 o  117.511   16.906   35.768   8.0734   38.412   15.916   34.852   9.3681  116.318   29.294  118.703   16.887 -2.385254 33.81292 
1 1 1   13   21   22 o  162.311   16.665   66.331   11.707  101.700   18.461   42.542   15.140  200.568   19.695  124.055   26.890 76.51289 33.33091 
1 1 1   13   21   23 o  153.368   17.402   61.367   11.959   80.160   18.241   47.201   15.837  176.061   22.169  130.675   26.831 45.38564 34.80422 
1 1 1   13   21   24 o   62.554   16.377   3.9819   5.6252   19.426   12.426   0.0013   6.3086   83.925   27.480   41.183   17.823 42.74180 32.75341 
1 1 1   13   21   25 o  130.529   18.392   48.379   10.894   31.873   15.868   63.094   14.983  104.075   30.594  156.984   20.422 -52.90923 36.78444 
1 1 1   13   21   26 o  146.131   16.948   56.648   11.560   58.218   16.845   55.250   15.894  147.725   24.399  144.538   23.529 3.186722 33.89585 
1 1 1   13   21   27 o   62.891   15.988   9.7003   6.2288   2.7843   11.076   12.899   7.5327   56.031   23.922   69.751   21.217 -13.71999 31.97536 
1 1 1   13   21   28 o   99.148   12.550   23.580   5.7588   49.701   9.2232   6.8898   7.3725  142.379   13.861   55.918   20.926 86.46124 25.10010 
1 1 1   13   21   29 o  107.091   13.213   30.092   6.3054   26.772   9.6530   32.562   8.3274   99.740   21.353  114.443   15.570 -14.70332 26.42654 
1 1 1   13   21   30 o   62.113   14.588   10.028   4.8736   8.1852   8.4532   10.946   5.9647   59.718   22.395   64.508   18.699 -4.790653 29.17519 
1 1 1   13   21   31 o  107.982   17.242   33.958   8.3377   37.357   10.254   27.324   14.324  120.873   18.152   95.090   29.319 25.78284 34.48310 
1 1 1   13   21   32 o   41.071   12.523  -1.9821   3.9684   5.9211   7.8431  -4.7017   4.6008   54.018   21.229   28.125   13.292 25.89261 25.04682 
1 1 1   13   21   33 o   51.217   20.686   4.6730   7.6523   4.6730   7.6523   0.0000   0.0000   51.217   20.686  ?   ?       ?      ? 
1 1 1   13   21   34 f   53.388   14.733   5.7581   4.3664   5.7537   4.7835   5.7798   10.692   48.868   17.045   57.909   24.036 -9.041412 29.46589 
1 1 1   13   21   35 o   89.699   12.735   23.606   5.0473   30.197   6.4304   13.029   8.1460  110.804   12.418   68.593   22.238 42.21116 25.47010 
1 1 1   13   21   36 o   35.190   10.771   0.2188   3.2377   2.1783   3.7430  -5.6036   6.4521   36.754   14.595   33.627   15.846 3.127361 21.54296 
1 1 1   13   21   37 o   78.885   10.821   16.155   3.8897   12.294   5.2929   20.689   5.7354   67.247   16.870   90.524   13.557 -23.27686 21.64211 
1 1 1   13   21   38 f   98.994   9.4079   24.792   4.3190   21.100   5.9930   28.781   6.2300   90.851   14.115  107.136   12.442 -16.28545 18.81590 
1 1 1   13   21   39 o   71.826   11.649   13.132   3.7863   9.7832   4.7908   18.704   6.1801   60.084   16.539   83.568   16.409 -23.48403 23.29803 
1 1 1   13   21   40 o   41.565   11.421   2.9155   3.1939   0.9896   4.1053   5.8686   5.0836   34.692   14.678   48.439   17.503 -13.74741 22.84286 
1 1 1   13   21   41 o   83.984   16.138   20.486   5.7950   26.785   11.961   18.554   6.6243   87.330   26.770   80.638   18.030 6.692657 32.27533 
1 1 1   13   21   42 o   58.549   12.615   10.047   3.8454   11.792   5.1693   7.8853   5.7541   64.239   16.966   52.859   18.675 11.37943 25.23082 
1 1 1   13   21   43 o   63.400   12.915   12.951   4.3121   15.662   5.2067   7.0306   7.6939   75.166   15.341   51.634   20.781 23.53222 25.83031 
1 1 1   13   21   44 o   34.592   9.9572   0.3570   3.0341   4.8419   3.9039  -6.4841   4.8216   43.062   15.364   26.122   12.670 16.94028 19.91439 
1 1 1   13   21   45 f   46.333   12.053   5.5227   3.6373   8.2899   4.9606   2.3050   5.3492   53.225   17.359   39.442   16.725 13.78331 24.10504 
1 1 1   13   21   46 o   47.033   10.309   4.0749   3.5262   12.864   4.8317  -5.9401   5.1578   66.573   15.772   27.493   13.279 39.08037 20.61770 
1 1 1   13   22    0 o   50.012   17.710   9.0857   7.1623   9.0857   7.1623   9.0857   7.1623   50.012   25.046   50.012   25.046 -0.000000 0.000000 
1 1 1   13   22    1 o  138.682   10.881   46.876   7.0474   49.039   10.000   44.741   9.9332  141.978   15.071  135.386   15.699 6.591675 21.76233 
1 1 1   13   22    2 o  214.003   14.230  107.833   12.607  130.938   25.224  100.140   14.556  225.286   23.958  202.721   15.364 22.56488 28.46091 
1 1 1   13   22    3 o  146.969   10.897   46.192   6.6483   67.797   13.726   39.570   7.5991  165.669   17.728  128.270   12.676 37.39825 21.79417 
1 1 1   13   22    4 o  141.567   10.033   49.157   6.4451   45.680   10.203   51.465   8.3135  136.681   15.973  146.453   12.146 -9.772308 20.06697 
1 1 1   13   22    5 o   90.600   11.127   20.703   4.4914   14.813   6.3333   26.664   6.3705   75.973   18.096  105.228   12.954 -29.25471 22.25465 
1 1 1   13   22    6 o  114.987   15.207   33.797   7.9523   27.293   10.884   41.247   11.648  101.412   23.435  128.563   19.386 -27.15076 30.41354 
1 1 1   13   22    7 o  128.764   17.316   44.743   10.019   59.057   14.018   29.794   14.326  153.844   19.496  103.685   28.624 50.15954 34.63282 
1 1 1   13   22    8 o  201.818   19.957  109.628   17.819   82.440   24.868  138.318   25.546  171.336   32.240  232.299   23.530 -60.96371 39.91351 
1 1 1   13   22    9 f  121.186   14.726   40.863   7.1955   28.907   12.674   46.550   8.7407  103.383   26.199  138.989   13.456 -35.60600 29.45246 
1 1 1   13   22   10 o  118.386   13.689   37.085   6.1203   31.894   12.323   38.785   7.0513  109.459   24.679  127.313   11.851 -17.85426 27.37741 
1 1 1   13   22   11 o  125.643   13.794   40.146   7.4056   38.432   12.625   41.045   9.1440  121.252   23.123  130.033   15.047 -8.781372 27.58745 
1 1 1   13   22   12 o  151.123   13.550   57.085   8.1631   56.032   16.406   57.432   9.4109  147.747   23.759  154.500   13.033 -6.753296 27.09925 
1 1 1   13   22   13 o   70.220   13.949   12.623   4.6368   12.681   7.8075   12.591   5.7633   70.287   21.642   70.153   17.606 0.1339340 27.89878 
1 1 1   13   22   14 o  158.072   16.675   71.885   9.4600   52.245   19.069   78.296   10.895  135.921   30.739  180.223   12.936 -44.30180 33.34991 
1 1 1   13   22   15 o  224.881   17.656  129.057   17.636  144.582   30.566  121.310   21.593  231.286   28.278  218.476   21.148 12.81006 35.31153 
1 1 1   13   22   16 o  160.429   12.449   62.028   9.3340   0.0000   0.0000   62.028   9.3340  ?   ?   160.429   12.449      ?      ? 
1 1 1   13   22   17 o  194.552   14.005   92.048   12.734   0.0000   0.0000   92.048   12.734  ?   ?   194.552   14.005      ?      ? 
1 1 1   13   22   18 o  152.883   13.764   56.815   9.8341   0.0000   0.0000   56.815   9.8341  ?   ?   152.883   13.764      ?      ? 
1 1 1   13   22   19 o  159.374   24.924   67.358   18.564   0.0000   0.0000   67.358   18.564  ?   ?   159.374   24.924      ?      ? 
1 1 1   13   22   20 o  275.888   43.330  251.873   55.868   0.0000   0.0000  251.873   55.868  ?   ?   275.888   43.330      ?      ? 
1 1 1   13   22   21 o  153.141   16.902   58.354   12.097   0.0000   0.0000   58.354   12.097  ?   ?   153.141   16.902      ?      ? 
1 1 1   13   22   22 o  209.419   21.460  124.564   20.973  131.763   29.783  117.483   29.538  216.529   29.432  202.311   31.240 14.21783 42.92052 
1 1 1   13   22   23 o  129.723   16.331   43.190   9.4446   63.595   14.798   29.164   12.268  157.439   20.111  102.007   25.736 55.43214 32.66175 
1 1 1   13   22   24 o  160.066   13.886   61.237   9.4486   76.976   18.206   55.435   11.054  170.721   22.818  149.411   15.830 21.30991 27.77166 
1 1 1   13   22   25 o  163.819   14.776   67.314   9.4980   74.366   19.956   65.249   10.800  164.705   25.926  162.934   14.183 1.771072 29.55149 
1 1 1   13   22   26 o  164.793   15.147   68.105   10.774   79.602   19.883   63.326   12.819  171.120   24.862  158.466   17.309 12.65350 30.29390 
1 1 1   13   22   27 o  131.799   12.561   44.853   7.5084   39.670   11.636   48.551   9.8284  123.677   20.131  139.922   15.030 -16.24461 25.12299 
1 1 1   13   22   28 o   96.385   12.683   22.775   5.4821   30.711   9.0082   18.108   6.9087  109.954   17.530   82.816   18.334 27.13850 25.36636 
1 1 1   13   22   29 o  169.304   16.453   74.099   12.437   64.875   15.161   93.080   21.748  156.559   20.721  182.048   25.562 -25.48901 32.90588 
1 1 1   13   22   30 o   46.305   13.558   2.7520   4.8648  -1.3220   8.1805   4.9811   6.0510   43.655   19.530   48.956   18.810 -5.300488 27.11530 
1 1 1   13   22   31 o   93.615   19.972   27.269   9.7235   20.982   14.083   32.996   13.442   82.697   29.216  104.533   27.239 -21.83588 39.94397 
1 1 1   13   22   32 o  169.331   13.520   74.735   10.567   90.770   15.494   60.790   14.449  187.568   17.676  151.094   20.462 36.47360 27.03932 
1 1 1   13   22   33 f  145.938   12.852   55.459   8.7398   61.421   12.677   50.058   12.066  153.846   17.631  138.029   18.704 15.81746 25.70405 
1 1 1   13   22   34 o   66.640   15.010   11.864   5.3642   17.107   8.2255   7.9837   7.0759   77.074   21.839   56.206   20.598 20.86844 30.02010 
1 1 1   13   22   35 f   59.542   11.509   9.7125   3.4596   13.013   4.7676   6.0417   5.0280   70.024   15.019   49.061   17.443 20.96326 23.01808 
1 1 1   13   22   36 o   57.408   12.551   9.1339   3.7249   10.051   4.8117   7.7622   5.8843   60.725   16.517   54.091   18.902 6.634365 25.10180 
1 1 1   13   22   37 o  107.603   11.875   31.053   5.5303   32.178   6.9698   29.140   9.0867  113.061   13.191  102.146   19.749 10.91510 23.74913 
1 1 1   13   22   38 o   32.468   9.8953  -0.2558   2.9623   2.6128   3.3597 -10.2760   6.2792   36.386   14.007   28.550   13.981 7.835686 19.79061 
1 1 1   13   22   39 o   72.142   12.854   14.524   4.1845   13.184   5.1860   17.023   7.0840   68.703   16.382   75.580   19.813 -6.876350 25.70872 
1 1 1   13   22   40 o   50.478   12.678   6.8628   3.6557   6.3797   4.5881   7.7029   6.0500   48.472   16.705   52.484   19.074 -4.011715 25.35522 
1 1 1   13   22   41 o   58.790   10.167   7.3194   3.5926  -0.8838   4.6668   19.253   5.6287   32.426   14.609   85.154   14.144 -52.72758 20.33361 
1 1 1   13   22   42 o   84.732   15.893   18.910   5.8630   38.029   11.905   12.787   6.7366  105.737   24.560   63.728   20.177 42.00857 31.78597 
1 1 1   13   22   43 o   84.439   12.451   20.955   4.8372   24.967   6.7335   16.676   6.9535   95.758   15.046   73.121   19.842 22.63665 24.90161 
1 1 1   13   22   44 o   71.001   12.637   15.790   4.5364   22.573   6.3541   8.7395   6.4785   88.902   15.876   53.100   19.666 35.80248 25.27439 
1 1 1   13   22   45 o   72.593   14.263   19.052   5.4648   23.225   6.8490   11.740   9.0658   88.027   17.265   57.159   22.708 30.86828 28.52638 
1 1 1   13   23    0 o  111.235   18.403   34.588   11.760   34.588   11.760   34.588   11.760  111.235   26.026  111.235   26.026 -0.000000 0.000000 
1 1 1   13   23    1 o  130.991   9.9828   42.442   5.9016   37.512   9.3130   45.751   7.6288  123.808   16.095  138.175   11.814 -14.36749 19.96554 
1 1 1   13   23    2 o   87.294   12.983   18.955   4.8598   21.150   8.5998   17.925   5.8905   90.010   20.852   84.577   15.473 5.432930 25.96581 
1 1 1   13   23    3 o  134.408   10.859   44.137   6.8017   47.781   9.6112   40.481   9.6270  140.224   14.666  128.593   16.019 11.63124 21.71855 
1 1 1   13   23    4 o   90.212   11.752   21.842   4.7781   35.463   6.7564   8.2157   6.7580  121.589   11.890   58.834   20.274 62.75492 23.50319 
1 1 1   13   23    5 o  178.125   12.074   78.276   10.034   72.749   14.105   83.939   14.278  171.464   17.601  184.785   16.533 -13.32104 24.14858 
1 1 1   13   23    6 o  126.888   14.469   45.220   6.7101   33.668   13.559   48.967   7.7219  110.848   26.528  142.928   11.560 -32.08086 28.93715 
1 1 1   13   23    7 o  180.445   17.767   92.098   12.878   68.095   21.981  104.643   15.891  154.696   31.475  206.195   16.490 -51.49860 35.53334 
1 1 1   13   23    8 o  188.070   14.229   86.739   11.860   97.735   20.730   81.388   14.461  194.694   22.783  181.445   17.053 13.24881 28.45833 
1 1 1   13   23    9 o  195.012   19.738  102.905   17.982  100.227   25.452  105.574   25.409  192.052   28.357  197.972   27.462 -5.919540 39.47543 
1 1 1   13   23   10 o   55.445   21.607   5.7308   8.0705   0.0000   0.0000   5.7308   8.0705  ?   ?    55.445   21.607      ?      ? 
1 1 1   13   23   11 o  145.188   24.181   55.267   16.407   0.0000   0.0000   55.267   16.407  ?   ?   145.188   24.181      ?      ? 
1 1 1   13   23   12 o  151.753   12.699   55.651   9.0061   0.0000   0.0000   55.651   9.0061  ?   ?   151.753   12.699      ?      ? 
1 1 1   13   23   13 o  194.817   18.306   95.083   16.667   0.0000   0.0000   95.083   16.667  ?   ?   194.817   18.306      ?      ? 
1 1 1   13   23   14 o   79.647   12.375   15.319   4.6063   0.0000   0.0000   15.319   4.6063  ?   ?    79.647   12.375      ?      ? 
1 1 1   13   23   15 o   96.721   14.122   22.827   6.3833   0.0000   0.0000   22.827   6.3833  ?   ?    96.721   14.122      ?      ? 
1 1 1   13   23   16 o  249.198   21.604  160.401   25.161   0.0000   0.0000  160.401   25.161  ?   ?   249.198   21.604      ?      ? 
1 1 1   13   23   17 o  102.251   14.277   28.093   6.1135   24.620   11.046   29.627   7.3402   94.455   24.731  110.046   14.272 -15.59180 28.55407 
1 1 1   13   23   18 o  224.242   19.959  141.078   19.216  132.971   33.445  145.072   23.477  211.612   33.818  236.872   21.208 -25.26024 39.91774 
1 1 1   13   23   19 o  166.541   26.177   75.633   20.374   75.633   20.374   0.0000   0.0000  166.541   26.177  ?   ?       ?      ? 
1 1 1   13   23   20 o  103.912   26.240   30.563   12.746   30.563   12.746   0.0000   0.0000  103.912   26.240  ?   ?       ?      ? 
1 1 1   13   23   21 o  129.436   16.539   44.940   9.6053   60.317   14.157   31.825   13.075  153.165   19.778  105.705   26.513 47.46010 33.07720 
1 1 1   13   23   22 o  152.204   14.950   59.154   9.7630   63.907   17.864   57.130   11.658  153.355   24.925  151.053   16.514 2.302109 29.89919 
1 1 1   13   23   23 o  106.252   14.186   26.254   6.1528   39.442   12.253   21.808   7.1148  120.665   22.558   91.840   17.209 28.82500 28.37237 
1 1 1   13   23   24 o  110.503   14.760   32.222   6.7532   32.682   12.530   32.034   8.0174  107.431   25.362  113.576   15.104 -6.144470 29.51944 
1 1 1   13   23   25 o   83.031   27.201   19.987   12.175   19.987   12.175   0.0000   0.0000   83.031   27.201  ?   ?       ?      ? 
1 1 1   13   23   26 o   79.984   27.117   18.716   12.082   18.716   12.082   0.0000   0.0000   79.984   27.117  ?   ?       ?      ? 
1 1 1   13   23   27 o   53.472   13.206   7.2777   3.8415   3.3779   8.4195   8.3029   4.3170   50.572   21.188   56.371   15.768 -5.798935 26.41135 
1 1 1   13   23   28 o   68.780   15.916   12.304   4.6055   11.243   13.875   12.435   4.8823   68.546   27.795   69.015   15.514 -0.4692307 31.83135 
1 1 1   13   23   29 o  168.623   12.985   65.765   8.6574   90.797   18.958   59.169   9.7314  182.716   22.201  154.530   13.475 28.18556 25.97010 
1 1 1   13   23   30 o  150.321   10.062   53.833   6.7270   65.599   11.847   48.235   8.1721  160.727   15.772  139.915   12.498 20.81223 20.12332 
1 1 1   13   23   31 o   51.143   13.943   5.2950   5.0712  -0.8661   8.2758   8.9996   6.4172   44.023   19.672   58.262   19.763 -14.23916 27.88529 
1 1 1   13   23   32 o   55.828   14.188   7.6661   5.2932   0.0220   8.4593   12.585   6.7858   45.030   20.022   66.627   20.109 -21.59717 28.37672 
1 1 1   13   23   33 o   70.094   15.471   14.362   5.5579   15.975   8.6432   13.225   7.2574   72.746   22.832   67.441   20.882 5.304558 30.94125 
1 1 1   13   23   34 o   94.251   14.272   23.976   6.2978   36.704   9.7909   14.993   8.2251  117.220   17.872   71.283   22.257 45.93697 28.54454 
1 1 1   13   23   35 o   78.088   14.473   16.674   5.5613   25.967   8.6349   10.087   7.2700   95.950   19.908   60.226   21.012 35.72430 28.94571 
1 1 1   13   23   36 o   77.443   14.332   19.838   5.3872   22.577   6.1420   10.705   11.216   93.390   14.072   61.496   24.971 31.89412 28.66362 
1 1 1   13   23   37 o   34.970   9.9907   0.0474   2.8894  -4.4610   3.9658   5.1484   4.2184   25.121   12.005   44.818   15.973 -19.69649 19.98141 
1 1 1   13   23   38 o   60.061   12.259   10.778   3.8469   13.708   5.0364   6.6763   5.9603   70.157   15.747   49.965   18.792 20.19187 24.51763 
1 1 1   13   23   39 o   59.978   13.245   10.958   4.1223   11.730   5.2135   9.6701   6.7333   63.452   17.165   56.505   20.176 6.946503 26.48985 
1 1 1   13   23   40 o   72.643   12.537   16.394   4.6400   22.210   6.1779   8.8678   7.0277   90.838   14.552   54.448   20.420 36.38968 25.07465 
1 1 1   13   23   41 o   67.757   13.650   13.630   4.4732   11.001   5.7127   17.796   7.1920   60.166   18.510   75.347   20.066 -15.18069 27.29938 
1 1 1   13   23   42 o   67.734   11.958   13.895   3.9369   9.1933   5.5886   18.526   5.5468   54.545   18.444   80.923   15.225 -26.37797 23.91600 
1 1 1   13   23   43 o   57.208   14.663   10.716   4.7251   10.316   5.4622   11.904   9.4187   57.139   18.177   57.278   23.014 -0.1389046 29.32669 
1 1 1   13   24    0 o   96.761   18.815   27.539   10.405   27.539   10.405   27.539   10.405   96.761   26.608   96.761   26.608 -0.000000 0.000000 
1 1 1   13   24    1 o  107.124   16.020   30.653   7.7795   26.308   10.871   35.214   11.138   98.455   23.873  115.793   21.368 -17.33797 32.03923 
1 1 1   13   24    2 o   88.722   12.717   18.663   4.8146   25.529   8.7199   15.652   5.7747   99.111   19.520   78.334   16.304 20.77728 25.43347 
1 1 1   13   24    3 o   66.834   13.142   11.995   4.1855   9.0961   7.4617   13.325   5.0559   61.238   21.292   72.430   15.410 -11.19215 26.28303 
1 1 1   13   24    4 o   38.764   10.469   0.3085   2.8996   6.3896   4.7716  -3.2515   3.6510   51.450   17.037   26.077   12.169 25.37364 20.93708 
1 1 1   13   24    5 o   64.822   21.362   10.664   7.5047   0.0000   0.0000   10.664   7.5047  ?   ?    64.822   21.362      ?      ? 
1 1 1   13   24    6 o  154.628   15.888   58.990   11.481   0.0000   0.0000   58.990   11.481  ?   ?   154.628   15.888      ?      ? 
1 1 1   13   24    7 o   53.218   18.732   6.5662   5.7841   0.0000   0.0000   6.5662   5.7841  ?   ?    53.218   18.732      ?      ? 
1 1 1   13   24    8 o   91.264   20.967   22.089   8.7549   0.0000   0.0000   22.089   8.7549  ?   ?    91.264   20.967      ?      ? 
1 1 1   13   24    9 o  168.237   24.635   75.246   19.370   0.0000   0.0000   75.246   19.370  ?   ?   168.237   24.635      ?      ? 
1 1 1   13   24   10 o  167.945   24.485   74.990   19.218   0.0000   0.0000   74.990   19.218  ?   ?   167.945   24.485      ?      ? 
1 1 1   13   24   11 o   57.415   21.101   7.4377   7.4339   7.4377   7.4339   0.0000   0.0000   57.415   21.101  ?   ?       ?      ? 
1 1 1   13   24   12 o   85.384   15.037   19.543   5.9770   19.033   8.6471   20.010   8.2708   84.074   21.818   86.694   20.699 -2.620300 30.07490 
1 1 1   13   24   13 o   64.746   21.888   10.671   7.8711   10.671   7.8711   0.0000   0.0000   64.746   21.888  ?   ?       ?      ? 
1 1 1   13   24   14 f  158.340   25.579   68.043   18.929   68.043   18.929   0.0000   0.0000  158.340   25.579  ?   ?       ?      ? 
1 1 1   13   24   15 o  149.372   17.875   61.162   12.123   58.220   17.758   63.729   16.591  143.490   27.481  155.253   22.866 -11.76259 35.74981 
1 1 1   13   24   16 o  173.013   15.829   78.701   11.795   79.096   21.001   78.519   14.256  169.339   26.536  176.687   17.264 -7.347549 31.65764 
1 1 1   13   24   17 o   75.943   14.773   16.342   5.0442   11.698   10.723   17.662   5.7161   68.526   25.317   83.361   15.234 -14.83554 29.54655 
1 1 1   13   24   18 o   77.244   15.093   15.015   4.9696   18.323   10.467   14.052   5.6467   80.945   25.080   73.544   16.797 7.401558 30.18568 
1 1 1   13   24   19 o  185.524   14.492   81.231   11.911  119.494   21.440   64.152   14.324  213.198   21.518  157.850   19.417 55.34837 28.98395 
1 1 1   13   24   20 o  210.870   12.285   94.167   10.765  158.814   22.462   74.888   12.266  248.130   19.370  173.611   15.118 74.51872 24.57069 
1 1 1   13   24   21 o  169.730   14.480   74.933   9.5576   75.918   19.824   74.634   10.909  165.204   25.676  174.257   13.396 -9.053421 28.96012 
1 1 1   13   24   22 o   45.698   12.887   3.6069   4.1256  -1.9139   8.1241   5.5254   4.7891   43.009   19.335   48.388   17.043 -5.379513 25.77417 
1 1 1   13   24   23 f   88.535   15.597   23.958   6.7196   13.472   11.915   28.848   8.1371   70.592   26.566  106.478   16.352 -35.88660 31.19487 
1 1 1   13   24   24 o  164.775   13.022   65.345   8.5716   82.115   18.123   60.513   9.7285  173.277   22.379  156.275   13.320 17.00201 26.04313 
1 1 1   13   24   25 o   90.465   14.008   20.373   5.9225   0.0000   0.0000   20.373   5.9225  ?   ?    90.465   14.008      ?      ? 
1 1 1   13   24   26 o  123.999   17.487   39.610   10.134   0.0000   0.0000   39.610   10.134  ?   ?   123.999   17.487      ?      ? 
1 1 1   13   24   27 o   73.605   17.743   15.087   7.2047   19.279   11.485   12.366   9.2513   80.133   26.427   67.077   23.681 13.05595 35.48508 
1 1 1   13   24   28 o  114.804   16.637   37.556   7.8174   38.398   15.084   37.247   9.1407  109.383   29.026  120.225   16.268 -10.84276 33.27412 
1 1 1   13   24   29 o  126.221   13.183   38.100   6.6572   53.337   14.319   33.898   7.5193  136.801   22.397  115.641   13.913 21.15942 26.36618 
1 1 1   13   24   30 o  169.763   12.315   76.444   9.4166   78.892   15.507   75.014   11.852  169.028   19.631  170.498   14.874 -1.470245 24.62919 
1 1 1   13   24   31 o  152.786   11.506   58.651   7.8857   70.187   13.559   52.755   9.6935  161.944   17.916  143.628   14.441 18.31601 23.01124 
1 1 1   13   24   32 o  129.500   13.022   45.074   7.8628   49.135   11.319   41.286   10.931  135.643   17.855  123.358   18.960 12.28478 26.04397 
1 1 1   13   24   33 o   81.660   13.275   18.191   5.8076   33.523   8.6343   5.5230   7.8481  112.241   16.460   51.079   20.832 61.16202 26.54981 
1 1 1   13   24   34 o   48.154   12.979   5.8300   3.9936   3.5525   7.3159   6.7968   4.7664   46.285   19.589   50.022   17.032 -3.736839 25.95830 
1 1 1   13   24   35 o   72.988   13.990   15.021   5.1835   24.952   8.1373   8.2394   6.7243   91.958   19.537   54.019   20.030 37.93947 27.98014 
1 1 1   13   24   36 o   76.323   14.785   17.929   5.6269   24.907   8.3829   12.208   7.5912   90.500   20.318   62.147   21.483 28.35287 29.56937 
1 1 1   13   24   37 o   44.983   12.355   4.9961   3.6389   5.3767   4.4708   4.2492   6.2634   45.136   16.398   44.830   18.484 0.3062935 24.70928 
1 1 1   13   24   38 o  101.411   13.559   31.352   6.1340   36.807   8.2538   24.623   9.1674  116.245   15.193   86.578   22.464 29.66620 27.11890 
1 1 1   13   24   39 o   48.005   12.838   6.2856   4.0183   4.4659   6.0243   7.7441   5.3935   44.557   18.220   51.454   18.090 -6.897755 25.67553 
1 1 1   13   24   40 o   35.651   11.066  -1.1898   3.2388  -3.7543   3.7895   5.7600   6.2383   24.776   11.811   46.525   18.717 -21.74969 22.13198 
1 1 1   13   25    0 o   54.452   18.109   10.851   7.3310   10.851   7.3310   10.851   7.3310   54.452   25.610   54.452   25.610 -0.000000 0.000000 
1 1 1   13   25    1 o  167.887   17.742   75.991   13.907   71.677   19.369   80.581   19.979  162.616   25.486  173.158   24.689 -10.54279 35.48353 
1 1 1   13   25    2 o  253.239   28.044  207.997   33.190  207.450   46.928  208.544   46.948  252.797   39.721  253.681   39.599 -0.8837738 56.08789 
1 1 1   13   25    3 o  177.403   13.931   75.579   11.066   99.369   19.334   63.990   13.495  195.680   21.142  159.127   18.146 36.55276 27.86100 
1 1 1   13   25    4 o  112.898   15.763   39.483   7.4960   20.472   13.179   48.575   9.1138   84.935   28.323  140.861   13.844 -55.92589 31.52570 
1 1 1   13   25    5 o  145.161   13.588   52.146   8.6967   58.956   15.357   48.931   10.552  150.093   21.893  140.229   16.100 9.863373 27.17616 
1 1 1   13   25    6 f   80.280   13.920   18.567   5.1368   11.186   9.6673   21.471   6.0637   66.941   24.145   93.619   13.859 -26.67726 27.83966 
1 1 1   13   25    7 o  114.459   17.026   36.012   8.8204   33.937   12.445   38.106   12.503  110.617   24.698  118.300   23.443 -7.683426 34.05226 
1 1 1   13   25    8 o   89.232   13.490   20.952   5.1940   19.841   9.2706   21.460   6.2706   85.069   22.838   93.395   14.366 -8.325882 26.98086 
1 1 1   13   25    9 o   78.934   13.048   14.689   4.0607   19.769   8.8445   13.332   4.5709   85.213   22.042   72.655   13.969 12.55839 26.09596 
1 1 1   13   25   10 o   53.160   13.294   6.3314   3.5851   6.7272   7.9327   6.2298   4.0189   56.369   21.566   49.952   15.551 6.417255 26.58853 
1 1 1   13   25   11 o   61.963   14.205   9.7167   4.4808   10.067   8.0560   9.5598   5.3918   63.236   22.116   60.689   17.832 2.546955 28.40903 
1 1 1   13   25   12 o   81.522   14.552   16.419   5.0258   21.529   9.9116   14.651   5.8310   88.022   23.608   75.022   17.021 12.99924 29.10395 
1 1 1   13   25   13 o  114.564   12.273   29.912   6.0734   48.753   10.742   21.058   7.3634  139.417   16.486   89.712   18.185 49.70467 24.54553 
1 1 1   13   25   14 o   51.378   12.325   6.1252   4.2649  -6.6878   8.4230   10.543   4.9457   39.095   18.322   63.662   16.491 -24.56668 24.65041 
1 1 1   13   25   15 o   76.282   13.643   12.427   4.6320   25.335   8.9682   7.7308   5.4094   97.204   20.392   55.359   18.131 41.84488 27.28673 
1 1 1   13   25   16 o  140.010   14.750   51.009   9.3362   54.106   15.374   49.199   11.751  141.417   23.261  138.602   18.141 2.815292 29.49901 
1 1 1   13   25   17 o   66.687   14.575   9.1105   4.1833   18.732   9.6413   6.8789   4.6432   81.229   23.839   52.145   16.777 29.08433 29.15049 
1 1 1   13   25   18 o   92.137   15.660   24.431   6.5073   20.248   11.696   26.306   7.8314   82.602   26.633  101.672   16.481 -19.06993 31.31990 
1 1 1   13   25   19 o  148.631   13.471   56.812   7.9418   59.972   16.218   55.816   9.1087  146.929   23.618  150.333   12.965 -3.404190 26.94215 
1 1 1   13   25   20 o   66.294   14.626   9.8080   4.2037   17.015   9.5914   8.0945   4.6768   76.931   24.037   55.658   16.671 21.27353 29.25209 
1 1 1   13   25   21 o   58.141   14.079   5.7391   3.7852   15.635   9.0425   3.6367   4.1679   74.329   23.358   41.952   15.727 32.37728 28.15883 
1 1 1   13   25   22 o  121.254   12.614   36.187   7.1481   0.0000   0.0000   36.187   7.1481  ?   ?   121.254   12.614      ?      ? 
1 1 1   13   25   23 o   76.793   13.901   14.841   4.3127   18.733   9.4527   13.818   4.8464   80.488   23.600   73.098   14.696 7.389931 27.80131 
1 1 1   13   25   24 o  165.712   17.360   76.080   10.911   83.395   22.510   73.833   12.474  161.401   30.969  170.023   15.698 -8.621887 34.72015 
1 1 1   13   25   25 o   77.520   15.093   14.686   4.6044   22.420   11.076   13.071   5.0625   84.980   25.701   70.061   15.834 14.91958 30.18671 
1 1 1   13   25   26 o  115.151   12.430   26.516   5.6398   59.093   12.555   18.280   6.3125  148.242   18.122   82.060   17.018 66.18144 24.86012 
1 1 1   13   25   27 o  105.036   15.006   29.361   6.0349   36.056   13.139   27.571   6.7941  106.132   26.554  103.940   13.986 2.191803 30.01228 
1 1 1   13   25   28 o   80.941   15.824   17.434   6.1877   29.013   10.498   11.271   7.6597   98.819   23.139   63.062   21.591 35.75642 31.64760 
1 1 1   13   25   29 o   76.735   15.395   16.500   5.0569   18.471   11.268   16.003   5.6589   76.267   26.184   77.203   16.201 -0.9358139 30.79087 
1 1 1   13   25   30 o   64.730   15.555   11.756   4.9856   13.429   10.966   11.319   5.5976   66.146   25.344   63.314   18.042 2.831440 31.11022 
1 1 1   13   25   31 o   79.258   15.527   16.979   4.9861   25.008   11.529   15.132   5.5300   84.774   26.331   73.742   16.463 11.03288 31.05406 
1 1 1   13   25   32 o   45.572   12.919   4.1792   3.7064   6.2490   7.5342   3.5184   4.2571   50.759   20.517   40.384   15.705 10.37478 25.83805 
1 1 1   13   25   33 o   51.625   13.519   7.2812   4.0322   6.6332   8.2019   7.4877   4.6304   51.676   21.211   51.573   16.769 0.1029205 27.03868 
1 1 1   13   25   34 o   48.360   14.001   5.5703   5.0135   4.9719   7.7971   5.9922   6.5462   48.164   20.295   48.555   19.295 -0.3909149 28.00288 
1 1 1   13   25   35 o   86.094   13.834   23.905   5.2088   18.870   9.6602   25.969   6.1849   72.904   24.246   99.284   13.329 -26.38008 27.66861 
1 1 1   13   25   36 o   45.186   16.876   5.3426   4.7900   0.0000   0.0000   5.3426   4.7900  ?   ?    45.186   16.876      ?      ? 
1 1 1   13   25   37 o   66.997   19.713   14.347   6.5852   0.0000   0.0000   14.347   6.5852  ?   ?    66.997   19.713      ?      ? 
1 1 1   13   25   38 o   40.349   11.780   2.2954   3.9993   6.8819   5.4124  -3.2208   5.9356   48.281   17.957   32.418   15.253 15.86324 23.56022 
1 1 1   13   26    0 o   24.750   11.239   0.3287   4.1883   0.3287   4.1883   0.3287   4.1883   24.750   15.894   24.750   15.894 -0.000000 0.000000 
1 1 1   13   26    1 o   70.516   10.788   13.003   3.4892   10.051   5.3338   15.211   4.6132   62.029   17.590   79.003   12.494 -16.97391 21.57550 
1 1 1   13   26    2 o   34.612   10.313  -0.0146   2.9079  -2.0381   3.8435   2.6946   4.4472   28.694   13.058   40.530   15.967 -11.83588 20.62683 
1 1 1   13   26    3 o   49.109   12.514   5.2653   3.6631   3.9870   4.8455   6.9701   5.5959   44.685   16.913   53.534   18.449 -8.849144 25.02771 
1 1 1   13   26    4 o   56.828   14.453   7.1351   4.6353   10.073   8.2203   5.7655   5.6128   63.151   22.320   50.504   18.370 12.64730 28.90700 
1 1 1   13   26    5 f  122.033   16.729   40.356   9.3225   33.169   12.618   48.995   13.834  108.039   25.415  136.028   21.761 -27.98915 33.45821 
1 1 1   13   26    6 o   55.794   13.324   6.4664   3.4929   11.036   7.7564   5.3040   3.9121   64.883   21.729   46.705   15.425 18.17748 26.64718 
1 1 1   13   26    7 o   32.851   10.521  -1.9042   3.4002 -10.0079   7.0383   0.5629   3.8835   31.971   15.459   33.730   14.274 -1.758949 21.04110 
1 1 1   13   26    8 o   68.614   12.918   11.669   3.8319   14.474   7.5388   10.691   4.4496   72.888   20.991   64.340   15.063 8.547676 25.83659 
1 1 1   13   26    9 o  215.910   15.986  122.620   13.863  131.722   27.811  119.611   15.991  213.574   27.863  218.245   15.678 -4.671188 31.97120 
1 1 1   13   26   10 o   70.877   14.280   12.378   4.6379   17.845   8.5762   10.119   5.5136   79.931   22.178   61.822   17.994 18.10892 28.55966 
1 1 1   13   26   11 o   37.176   11.796  -1.8932   4.1768   0.0001   6.5854  -3.1674   5.4025   41.280   18.033   33.072   15.212 8.207565 23.59227 
1 1 1   13   26   12 o  108.655   13.026   28.939   5.5210   35.502   11.518   26.981   6.2908  112.713   22.650  104.596   12.869 8.116959 26.05111 
1 1 1   13   26   13 o  125.414   14.783   43.417   7.0436   40.438   14.177   44.393   8.1161  116.762   26.577  134.066   12.953 -17.30439 29.56610 
1 1 1   13   26   14 o   41.462   13.123  -2.4422   5.4511   1.9662   7.3481  -7.8374   8.1291   46.113   19.581   36.810   17.476 9.303249 26.24555 
1 1 1   13   26   15 o   75.873   14.516   13.100   4.9841   24.680   9.5275   8.7376   5.8481   93.897   22.082   57.850   18.847 36.04669 29.03144 
1 1 1   13   26   16 o  183.462   17.361   94.500   13.724   92.545   24.008   95.448   16.727  175.628   29.250  191.297   18.710 -15.66943 34.72190 
1 1 1   13   26   17 o  154.236   19.506   70.484   13.630   64.117   19.804   76.214   18.788  143.589   30.456  164.883   24.381 -21.29375 39.01273 
1 1 1   13   26   18 o   76.711   13.547   16.383   4.4364   13.850   9.2915   17.130   5.0491   70.207   23.781   83.214   12.983 -13.00636 27.09417 
1 1 1   13   26   19 o   90.755   14.515   23.003   5.6544   21.409   10.561   23.644   6.6948   84.742   24.972   96.768   14.803 -12.02633 29.03019 
1 1 1   13   26   20 o  106.710   15.971   32.956   7.4236   30.502   12.864   34.181   9.0900   98.804   27.061  114.616   16.970 -15.81236 31.94191 
1 1 1   13   26   21 o   78.927   14.133   19.560   4.9625   11.508   10.952   21.641   5.5667   64.842   25.198   93.012   12.806 -28.16952 28.26574 
1 1 1   13   26   22 o  109.093   12.256   29.745   6.2489   0.0000   0.0000   29.745   6.2489  ?   ?   109.093   12.256      ?      ? 
1 1 1   13   26   23 o   41.548   11.705   3.1134   3.5361  -5.5515   7.8298   5.3335   3.9633   37.226   17.516   45.871   15.532 -8.644947 23.41013 
1 1 1   13   26   24 o   73.805   13.469   17.414   4.5683   8.1150   10.387   19.644   5.0866   58.877   23.984   88.732   12.266 -29.85512 26.93822 
1 1 1   13   26   25 o   64.713   14.559   7.6297   3.8816   21.413   10.078   5.2290   4.2060   83.478   24.337   45.949   15.985 37.52941 29.11714 
1 1 1   13   26   26 f   90.823   14.815   27.861   5.5207   15.896   12.611   30.698   6.1404   70.727   27.160  110.918   11.845 -40.19141 29.63082 
1 1 1   13   26   27 o   36.903   12.036  -0.9120   3.6871  -2.5800   9.1852  -0.5916   4.0257   42.683   19.705   31.123   13.826 11.56036 24.07208 
1 1 1   13   26   28 o   53.964   12.002   9.0861   4.2951 -10.4049   10.427   13.069   4.7135   38.702   18.739   69.226   15.002 -30.52347 24.00434 
1 1 1   13   26   29 o   42.092   12.599   2.8526   4.0319  -1.0466   8.3898   4.0235   4.5977   41.967   19.174   42.218   16.348 -0.2502441 25.19744 
1 1 1   13   26   30 o   45.938   13.371   3.4375   3.8529   8.4378   8.4951   2.1426   4.3232   54.785   21.912   37.090   15.330 17.69463 26.74196 
1 1 1   13   26   31 f   62.980   15.269   12.367   5.0915   13.822   9.7703   11.825   5.9655   63.518   24.022   62.442   18.856 1.076527 30.53857 
1 1 1   13   26   32 o   52.819   13.470   8.3680   4.1969   4.2889   9.0190   9.4954   4.7415   48.461   21.139   57.177   16.700 -8.715935 26.93946 
1 1 1   13   26   33 o   53.480   16.884   8.3005   4.7195   0.0000   0.0000   8.3005   4.7195  ?   ?    53.480   16.884      ?      ? 
1 1 1   13   26   34 o   98.161   13.865   25.901   6.3609   0.0000   0.0000   25.901   6.3609  ?   ?    98.161   13.865      ?      ? 
1 1 1   13   26   35 o   54.924   22.702   10.134   9.4807   0.0000   0.0000   10.134   9.4807  ?   ?    54.924   22.702      ?      ? 
1 1 1   13   27    0 o  266.141   12.375  176.042   21.551  176.042   21.551  176.042   21.551  266.141   17.500  266.141   17.500 -0.000000 0.000000 
1 1 1   13   27    1 o  204.002   10.610  104.683   10.107  108.826   14.273  100.514   14.315  208.384   14.656  199.620   15.344 8.763596 21.21902 
1 1 1   13   27    2 o   98.223   8.6251   23.676   3.9586   23.524   5.6407   23.825   5.5567   97.858   12.334   98.588   12.060 -0.7299957 17.25019 
1 1 1   13   27    3 f  105.977   13.474   31.741   5.6511   25.334   10.606   34.280   6.6779   93.698   24.088  118.257   12.083 -24.55943 26.94820 
1 1 1   13   27    4 o  229.766   15.822  133.688   16.990   0.0000   0.0000  133.688   16.990  ?   ?   229.766   15.822      ?      ? 
1 1 1   13   27    5 o  130.309   15.851   47.729   8.6865   43.075   14.929   50.111   10.681  120.239   27.204  140.379   16.280 -20.14043 31.70271 
1 1 1   13   27    6 o   98.236   17.814   28.196   8.2099   27.970   11.302   28.447   11.946   98.230   24.656   98.241   25.718 -0.1069641E-01 35.62770 
1 1 1   13   27    7 o  129.131   16.716   46.542   9.8583   51.086   14.141   42.244   13.751  137.197   22.054  121.065   25.126 16.13247 33.43227 
1 1 1   13   27    8 o  125.888   16.099   40.229   9.4715   0.0000   0.0000   40.229   9.4715  ?   ?   125.888   16.099      ?      ? 
1 1 1   13   27    9 o   83.757   14.347   19.265   5.3114   19.001   9.3669   19.390   6.4483   81.463   23.380   86.051   16.636 -4.588089 28.69473 
1 1 1   13   27   10 o  174.656   16.975   86.802   11.138   80.698   22.220   88.851   12.873  161.077   30.636  188.234   14.633 -27.15741 33.95083 
1 1 1   13   27   11 o  134.147   14.232   49.770   7.2213   44.794   14.334   51.462   8.3597  123.715   25.634  144.579   12.372 -20.86374 28.46306 
1 1 1   13   27   12 o   71.617   14.011   14.792   4.7566   11.171   8.8244   16.276   5.6473   64.427   23.087   78.807   15.882 -14.37981 28.02235 
1 1 1   13   27   13 o  114.393   14.975   37.001   6.6552   33.979   13.231   38.025   7.7003  105.304   26.813  123.482   13.343 -18.17879 29.94984 
1 1 1   13   27   14 o   90.773   16.118   23.293   6.6700   27.309   10.904   20.891   8.4317   95.778   24.316   85.768   21.165 10.00983 32.23656 
1 1 1   13   27   15 o  151.610   18.274   69.205   11.646   66.906   20.138   70.360   14.276  141.440   31.294  161.780   18.881 -20.33983 36.54885 
1 1 1   13   27   16 o   91.450   14.048   22.106   5.5976   29.323   9.7339   18.541   6.8421  101.032   21.287   81.868   18.338 19.16361 28.09647 
1 1 1   13   27   17 o   75.451   21.969   16.929   8.2168   0.0000   0.0000   16.929   8.2168  ?   ?    75.451   21.969      ?      ? 
1 1 1   13   27   18 o   98.503   15.220   34.157   7.1814   12.686   13.054   43.476   8.5997   66.576   26.972  130.430   14.108 -63.85343 30.43929 
1 1 1   13   27   19 o  110.452   14.883   33.698   6.8099   36.639   12.729   32.519   8.0606  108.799   25.481  112.106   15.385 -3.307510 29.76534 
1 1 1   13   27   20 o   42.521   12.813   2.1802   3.8827   0.5109   8.5577   2.6129   4.3569   45.785   20.258   39.258   15.695 6.526924 25.62666 
1 1 1   13   27   21 o   69.668   14.079   14.481   4.4493   10.767   10.067   15.383   4.9600   62.679   24.214   76.656   14.373 -13.97762 28.15841 
1 1 1   13   27   22 o   50.407   13.010   6.6255   3.8525   2.5730   8.2637   7.7508   4.3546   47.326   20.440   53.488   16.101 -6.161812 26.02022 
1 1 1   13   27   23 o  117.544   15.069   41.571   6.4620   38.311   13.768   42.492   7.3182  105.442   27.612  129.647   12.078 -24.20512 30.13818 
1 1 1   13   27   24 o   96.553   15.170   25.287   6.4678   42.044   11.463   17.461   7.8338  118.007   21.581   75.100   21.324 42.90694 30.33902 
1 1 1   13   27   25 o   64.873   14.850   9.6694   4.5241   21.954   9.7185   6.2708   5.1117   81.223   23.961   48.522   17.549 32.70097 29.70030 
1 1 1   13   27   26 o   83.885   14.706   20.210   4.8587   24.122   11.328   19.328   5.3786   81.700   26.196   86.070   13.371 -4.370605 29.41133 
1 1 1   13   27   27 o   51.518   14.200   4.4602   3.5833   14.769   9.8157   2.8750   3.8489   65.432   24.212   37.604   14.842 27.82720 28.39913 
1 1 1   13   27   28 o   50.037   14.485   5.1967   4.5281   10.616   9.9349   3.7757   5.0872   58.064   23.528   42.011   16.902 16.05350 28.96977 
1 1 1   13   27   29 o   53.999   14.697   5.9085   4.3084   16.033   9.8838   3.5335   4.7871   67.084   24.380   40.913   16.418 26.17102 29.39322 
1 1 1   13   27   30 o   51.617   16.805   7.6883   4.6495   0.0000   0.0000   7.6883   4.6495  ?   ?    51.617   16.805      ?      ? 
1 1 1   13   27   31 f   42.228   16.394   4.3862   4.6325   0.0000   0.0000   4.3862   4.6325  ?   ?    42.228   16.394      ?      ? 
1 1 1   13   27   32 o   63.246   18.735   12.750   5.9308   0.0000   0.0000   12.750   5.9308  ?   ?    63.246   18.735      ?      ? 
1 1 1   13   28    0 o  115.368   9.0745   33.233   6.7003   33.233   6.7003   33.233   6.7003  115.368   12.833  115.368   12.833 -0.000000 0.000000 
1 1 1   13   28    1 o  156.334   10.367   62.553   7.3959   60.189   11.608   64.167   9.5958  152.317   16.307  160.351   12.805 -8.034149 20.73312 
1 1 1   13   28    2 o  109.604   9.7873   30.355   4.8699   30.083   7.8216   30.527   6.2233  108.192   15.469  111.015   11.995 -2.823738 19.57455 
1 1 1   13   28    3 o  162.173   10.107   65.502   7.5415   73.931   11.988   59.981   9.7018  169.901   15.098  154.444   13.441 15.45760 20.21399 
1 1 1   13   28    4 o  118.740   10.980   36.436   6.0560   40.645   8.5640   32.227   8.5650  126.326   14.506  111.154   16.488 15.17151 21.96038 
1 1 1   13   28    5 o   83.232   25.362   21.608   10.756   0.0000   0.0000   21.608   10.756  ?   ?    83.232   25.362      ?      ? 
1 1 1   13   28    6 o   79.296   13.152   18.781   4.5553   13.355   8.8040   20.765   5.3233   67.449   23.146   91.142   12.497 -23.69302 26.30446 
1 1 1   13   28    7 o   88.988   14.010   24.105   5.0517   18.107   10.499   25.912   5.7626   76.015   25.277  101.961   12.093 -25.94614 28.02066 
1 1 1   13   28    8 o  112.480   14.665   36.442   6.3385   33.991   12.773   37.243   7.3008  103.285   26.371  121.676   12.839 -18.39101 29.32985 
1 1 1   13   28    9 o   97.490   15.169   30.779   6.7365   17.981   11.634   37.233   8.2624   74.718   26.538  120.262   14.701 -45.54413 30.33728 
1 1 1   13   28   10 o   87.395   13.886   19.335   5.4379   32.650   9.4493   12.741   6.6493  108.095   19.419   66.695   19.856 41.39971 27.77265 
1 1 1   13   28   11 o  109.915   15.587   39.372   7.5255   22.033   12.477   49.286   9.4348   81.309   27.558  138.522   14.574 -57.21282 31.17420 
1 1 1   13   28   12 o   46.765   13.044   3.5748   4.2102   7.8413   6.7793   0.8961   5.3717   55.013   20.161   38.517   16.557 16.49630 26.08857 
1 1 1   13   28   13 o   64.771   15.355   12.123   5.4613   10.427   9.0697   13.088   6.8404   61.771   23.191   67.772   20.130 -6.000366 30.70952 
1 1 1   13   28   14 f   78.523   13.880   14.743   4.5389   24.458   9.3157   11.719   5.1976   91.455   22.052   65.591   16.863 25.86395 27.76044 
1 1 1   13   28   15 o   93.320   13.911   22.626   5.2592   28.050   10.680   20.890   6.0425   96.208   23.868   90.432   14.297 5.776466 27.82293 
1 1 1   13   28   16 o   51.453   13.959   6.3788   4.8043   3.1154   7.9722   8.2397   6.0202   47.743   20.337   55.162   19.128 -7.419266 27.91897 
1 1 1   13   28   17 o   61.516   14.467   10.166   4.8865   15.590   7.8331   6.7107   6.2522   71.736   21.595   51.296   19.256 20.44020 28.93317 
1 1 1   13   28   18 o  100.908   14.765   31.383   6.4239   26.047   11.136   34.044   7.8643   88.028   25.559  113.787   14.788 -25.75963 29.52925 
1 1 1   13   28   19 o   55.523   13.696   6.4124   4.1468   15.659   7.9874   3.0005   4.8519   70.556   21.917   40.490   16.430 30.06542 27.39172 
1 1 1   13   28   20 o   46.513   20.369   2.6177   8.4473   2.6177   8.4473   0.0000   0.0000   46.513   20.369  ?   ?       ?      ? 
1 1 1   13   28   21 o   58.450   14.649   8.5533   4.3479   15.234   9.2089   6.6368   4.9323   67.622   23.646   49.279   17.301 18.34271 29.29900 
1 1 1   13   28   22 o   66.877   14.565   10.464   5.2380   25.915   9.4681   3.6486   6.2879   89.666   22.601   44.089   18.377 45.57732 29.12954 
1 1 1   13   28   23 o   52.129   14.055   4.6812   4.7877   15.350   8.5624  -0.1717   5.7748   67.609   22.829   36.648   16.401 30.96051 28.10987 
1 1 1   13   28   24 o   40.981   12.551   2.1699   3.3776   3.7194   8.6972   1.8946   3.6653   47.378   20.710   34.583   14.185 12.79451 25.10210 
1 1 1   13   28   25 o   68.440   12.890   16.425   4.6096   5.3371   10.160   19.299   5.1726   50.973   22.330   85.906   12.884 -34.93338 25.78020 
1 1 1   13   28   26 o   55.030   15.605   8.6289   4.1981   0.0000   0.0000   8.6289   4.1981  ?   ?    55.030   15.605      ?      ? 
1 1 1   13   28   27 f   39.315   15.094   3.6329   3.8945   0.0000   0.0000   3.6329   3.8945  ?   ?    39.315   15.094      ?      ? 
1 1 1   13   28   28 o   74.383   13.797   15.281   4.6197   0.0000   0.0000   15.281   4.6197  ?   ?    74.383   13.797      ?      ? 
1 1 1   13   28   29 o   44.994   17.601   5.5049   5.3708   0.0000   0.0000   5.5049   5.3708  ?   ?    44.994   17.601      ?      ? 
1 1 1   13   29    0 o   83.388   10.107   18.240   5.0792   18.240   5.0792   18.240   5.0792   83.388   14.294   83.388   14.294 -0.000000 0.000000 
1 1 1   13   29    1 o  139.316   14.694   56.165   7.7076   49.547   15.137   58.482   8.9555  125.804   26.578  152.828   12.538 -27.02329 29.38753 
1 1 1   13   29    2 o  130.168   15.857   51.185   8.6102   40.628   14.400   57.060   10.742  112.004   27.670  148.331   15.496 -36.32716 31.71397 
1 1 1   13   29    3 o   55.409   11.794   8.1167   3.2517   9.4092   5.1663   7.2687   4.1845   58.584   17.516   52.234   15.797 6.350113 23.58703 
1 1 1   13   29    4 o   40.571   10.451   2.0843   2.8964   7.4296   4.4692  -1.7864   3.8032   52.696   16.398   28.445   12.962 24.25168 20.90283 
1 1 1   13   29    5 o  142.658   9.8936   50.362   6.4915   63.609   10.267   41.538   8.3789  157.864   13.916  127.452   14.067 30.41239 19.78713 
1 1 1   13   29    6 o  104.577   14.748   34.630   5.9413   24.841   12.095   37.743   6.8210   86.239   27.000  122.915   11.874 -36.67565 29.49526 
1 1 1   13   29    7 o   92.199   14.143   22.646   5.5635   30.210   10.151   19.399   6.6514  100.676   22.174   83.721   17.560 16.95469 28.28522 
1 1 1   13   29    8 o   40.644   11.403   2.5333   3.6101  -4.3762   6.3755   5.7942   4.3799   33.978   15.929   47.309   16.320 -13.33163 22.80562 
1 1 1   13   29    9 o  123.017   14.371   42.573   7.6492   46.887   13.103   40.343   9.4212  123.428   23.575  122.606   16.442 0.8223267 28.74189 
1 1 1   13   29   10 o   55.977   14.635   7.9677   5.2498   3.7991   7.0232   13.246   7.9033   46.354   19.380   65.600   21.934 -19.24588 29.26928 
1 1 1   13   29   11 o   62.880   14.353   10.400   4.4807   16.747   8.3509   7.8338   5.3098   72.758   22.379   53.001   17.977 19.75620 28.70523 
1 1 1   13   29   12 o   53.692   12.914   3.9589   3.4802   17.219   7.9520   0.8174   3.8705   74.247   21.610   33.137   14.144 41.10998 25.82705 
1 1 1   13   29   13 o  185.883   16.305  100.504   13.607  134.974   23.598   83.333   16.655  204.977   24.634  166.788   21.367 38.18867 32.60938 
1 1 1   13   29   14 o   76.629   15.945   18.955   5.9911   18.726   10.134   19.078   7.4280   73.727   24.837   79.531   20.004 -5.804207 31.89052 
1 1 1   13   29   15 o  121.998   16.535   45.930   8.9078   52.463   14.858   42.264   11.130  123.872   26.469  120.125   19.825 3.746750 33.06981 
1 1 1   13   29   16 o  109.642   16.315   37.847   7.9126   40.107   13.301   36.610   9.8438  106.493   26.759  112.791   18.674 -6.297752 32.63067 
1 1 1   13   29   17 o  104.114   16.640   35.978   7.7974   33.669   13.133   37.234   9.6904   94.251   27.868  113.977   18.192 -19.72577 33.28048 
1 1 1   13   29   18 f   78.307   16.005   21.245   6.4031   16.552   10.359   24.146   8.1455   67.840   24.913   88.773   20.101 -20.93250 32.01083 
1 1 1   13   29   19 o   51.400   14.065   6.5952   4.7928   11.239   7.6810   3.6343   6.1333   59.345   21.504   43.455   18.135 15.89019 28.12973 
1 1 1   13   29   20 o   59.237   15.595   11.180   5.8812   13.949   8.2871   8.3699   8.3478   64.571   22.439   53.903   21.663 10.66853 31.19011 
1 1 1   13   29   21 o   53.682   22.374   7.9660   9.3189   0.0000   0.0000   7.9660   9.3189  ?   ?    53.682   22.374      ?      ? 
1 1 1   13   29   22 o   49.962   20.739   6.3691   7.9603   0.0000   0.0000   6.3691   7.9603  ?   ?    49.962   20.739      ?      ? 
1 1 1   13   29   23 o   67.823   24.849   17.653   10.297   0.0000   0.0000   17.653   10.297  ?   ?    67.823   24.849      ?      ? 
1 1 1   13   29   24 o  103.958   13.073   28.985   6.3517   0.0000   0.0000   28.985   6.3517  ?   ?   103.958   13.073      ?      ? 
1 1 1   13   29   25 o   60.885   17.739   11.558   5.3557   0.0000   0.0000   11.558   5.3557  ?   ?    60.885   17.739      ?      ? 
1 1 1   13   30    0 o   28.481   12.549   1.9301   4.7939   1.9301   4.7939   1.9301   4.7939   28.481   17.747   28.481   17.747 -0.000000 0.000000 
1 1 1   13   30    1 o   64.779   11.477   13.621   3.9383   4.0288   7.1951   17.725   4.7058   46.325   19.507   83.233   12.098 -36.90746 22.95334 
1 1 1   13   30    2 o   89.625   14.080   23.749   5.5294   25.417   9.4084   22.869   6.8342   89.076   22.572   90.175   16.836 -1.099091 28.15943 
1 1 1   13   30    3 f   55.986   13.089   9.3665   4.0950   6.5808   6.7541   10.986   5.1495   50.313   19.722   61.659   17.213 -11.34618 26.17733 
1 1 1   13   30    4 o   53.875   13.414   8.4647   4.1574   9.2411   5.0257   6.7818   7.3993   56.555   17.355   51.195   20.459 5.360214 26.82840 
1 1 1   13   30    5 o   54.042   11.784   7.6199   4.1999  -2.1545   6.4532   14.802   5.5317   36.011   16.586   72.073   16.743 -36.06224 23.56749 
1 1 1   13   30    6 o   73.803   10.897   14.673   3.7242   20.818   5.6344   9.9056   4.9630   89.085   13.533   58.522   17.083 30.56306 21.79418 
1 1 1   13   30    7 o   50.837   13.335   5.7282   3.9695   11.893   7.3568   3.1965   4.7146   61.437   21.154   40.238   16.242 21.19887 26.67009 
1 1 1   13   30    8 o   92.454   15.108   29.989   6.4516   19.174   11.808   34.591   7.7029   71.184   26.514  113.724   14.493 -42.54007 30.21635 
1 1 1   13   30    9 o  120.259   14.814   44.074   6.7406   43.221   13.620   44.351   7.7571  109.918   26.764  130.601   12.709 -20.68320 29.62832 
1 1 1   13   30   10 f   44.358   12.686   3.4503   3.7811   7.8279   6.9883   1.6383   4.4960   52.424   20.196   36.292   15.358 16.13216 25.37219 
1 1 1   13   30   11 o   67.000   11.593   16.058   4.3250   0.5561   8.9499   20.781   4.9401   44.015   19.990   89.985   11.747 -45.97028 23.18629 
1 1 1   13   30   12 o   60.566   13.917   10.151   3.9654   14.396   8.3888   8.9295   4.4999   65.424   22.586   55.708   16.268 9.715889 27.83447 
1 1 1   13   30   13 o   81.478   14.084   18.177   4.6612   25.936   9.8087   15.913   5.2977   87.610   23.479   75.346   15.560 12.26431 28.16728 
1 1 1   13   30   14 o   82.781   13.276   18.047   5.1362   0.0000   0.0000   18.047   5.1362  ?   ?    82.781   13.276      ?      ? 
1 1 1   13   30   15 o   99.918   12.672   26.072   5.9176   0.0000   0.0000   26.072   5.9176  ?   ?    99.918   12.672      ?      ? 
1 1 1   13   30   16 o   84.105   20.351   22.248   7.9125   0.0000   0.0000   22.248   7.9125  ?   ?    84.105   20.351      ?      ? 
1 1 1   13   30   17 o   53.326   19.475   8.7034   6.3178   0.0000   0.0000   8.7034   6.3178  ?   ?    53.326   19.475      ?      ? 
1 1 1   13   30   18 o   70.449   15.758   14.361   5.0585   0.0000   0.0000   14.361   5.0585  ?   ?    70.449   15.758      ?      ? 
1 1 1   13   30   19 o   62.850   20.416   13.314   6.8643   0.0000   0.0000   13.314   6.8643  ?   ?    62.850   20.416      ?      ? 
1 1 1   13   30   20 o   81.300   22.978   23.793   9.1177   0.0000   0.0000   23.793   9.1177  ?   ?    81.300   22.978      ?      ? 
1 1 1   13   31    0 o  126.302   20.177   51.060   14.692   51.060   14.692   51.060   14.692  126.302   28.535  126.302   28.535 -0.000000 0.000000 
1 1 1   13   31    1 o   64.228   13.017   11.136   4.0230   18.411   7.0280   7.5911   4.9063   77.255   19.472   51.202   17.281 26.05293 26.03449 
1 1 1   13   31    2 o   37.251   10.877   1.9003   3.3292  -3.4948   5.8270   4.5148   4.0564   32.373   15.193   42.129   15.570 -9.756622 21.75435 
1 1 1   13   31    3 o   61.541   12.892   12.306   4.3529   6.2183   7.3750   15.561   5.3923   49.256   20.153   73.827   16.083 -24.57174 25.78401 
1 1 1   13   31    4 o   67.218   13.346   14.407   4.4685   11.212   7.1831   16.424   5.7073   59.064   20.865   75.371   16.647 -16.30679 26.69238 
1 1 1   13   31    5 o   81.561   16.456   19.097   6.0564   0.0000   0.0000   19.097   6.0564  ?   ?    81.561   16.456      ?      ? 
1 1 1   13   31    6 o   54.968   17.245   8.9853   4.9313   0.0000   0.0000   8.9853   4.9313  ?   ?    54.968   17.245      ?      ? 
1 1 1   13   31    7 o   83.390   24.501   25.260   10.180   0.0000   0.0000   25.260   10.180  ?   ?    83.390   24.501      ?      ? 
1 1 1   13   31    8 o   97.965   15.572   26.840   7.1295   0.0000   0.0000   26.840   7.1295  ?   ?    97.965   15.572      ?      ? 
1 1 1   13   31    9 o   86.748   16.845   22.064   6.5832   0.0000   0.0000   22.064   6.5832  ?   ?    86.748   16.845      ?      ? 
1 1 1   13   31   10 o   29.291   14.031  -5.0970   5.4887   0.0000   0.0000  -5.0970   5.4887  ?   ?    29.291   14.031      ?      ? 
1 1 1   13   31   11 o   89.070   24.763   29.763   10.681   0.0000   0.0000   29.763   10.681  ?   ?    89.070   24.763      ?      ? 
1 1 1   13   31   12 o   75.475   23.201   20.947   8.9774   0.0000   0.0000   20.947   8.9774  ?   ?    75.475   23.201      ?      ? 
1 1 1   14    0    0 o  242.225   14.607  140.743   22.993  140.743   22.993  140.743   22.993  242.225   20.657  242.225   20.657 -0.000000 0.000000 
1 1 1   14    0    1 o  149.724   7.5726   53.323   7.4056   53.323   7.4056   53.323   7.4056  149.724   10.709  149.724   10.709 -0.000000 0.000000 
1 1 1   14    0    2 o  104.428   7.1275   26.247   4.8141   26.247   4.8141   26.247   4.8141  104.428   10.080  104.428   10.080 -0.000000 0.000000 
1 1 1   14    0    3 o  305.541   12.330  221.834   24.713  221.834   24.713  221.834   24.713  305.541   17.437  305.541   17.437 -0.000000 0.000000 
1 1 1   14    0    4 o  346.629   13.685  285.874   31.128  285.874   31.128  285.874   31.128  346.629   19.353  346.629   19.353 -0.000000 0.000000 
1 1 1   14    0    5 f  349.262   13.853  290.333   31.749  290.333   31.749  290.333   31.749  349.262   19.592  349.262   19.592 -0.000000 0.000000 
1 1 1   14    0    6 o  150.654   8.8024   54.309   8.6271   54.309   8.6271   54.309   8.6271  150.654   12.448  150.654   12.448 -0.000000 0.000000 
1 1 1   14    0    7 o  271.358   12.736  175.670   22.611  175.670   22.611  175.670   22.611  271.358   18.011  271.358   18.011 -0.000000 0.000000 
1 1 1   14    0    8 o  455.416   17.801  496.534   53.206  496.534   53.206  496.534   53.206  455.416   25.174  455.416   25.174 -0.000000 0.000000 
1 1 1   14    0    9 o  387.899   14.914  358.535   37.978  358.535   37.978  358.535   37.978  387.899   21.092  387.899   21.092 -0.000000 0.000000 
1 1 1   14    0   10 o  176.235   8.5524   73.857   9.8541   73.857   9.8541   73.857   9.8541  176.235   12.095  176.235   12.095 -0.000000 0.000000 
1 1 1   14    0   11 o  234.911   9.5587  130.813   14.728  130.813   14.728  130.813   14.728  234.911   13.518  234.911   13.518 -0.000000 0.000000 
1 1 1   14    0   12 o  315.670   18.738  241.809   38.461  241.809   38.461  241.809   38.461  315.670   26.500  315.670   26.500 -0.000000 0.000000 
1 1 1   14    0   13 f  171.397   12.979   71.553   14.277   71.553   14.277   71.553   14.277  171.397   18.354  171.397   18.354 -0.000000 0.000000 
1 1 1   14    0   14 o  372.368   32.533  355.605   76.784  355.605   76.784  355.605   76.784  372.368   46.009  372.368   46.009 -0.000000 0.000000 
1 1 1   14    0   15 f  496.774   28.009  612.237   90.618  612.237   90.618  612.237   90.618  496.774   39.611  496.774   39.611 -0.000000 0.000000 
1 1 1   14    0   16 o  190.109   11.731   87.027   14.482   87.027   14.482   87.027   14.482  190.109   16.590  190.109   16.590 -0.000000 0.000000 
1 1 1   14    0   17 o  164.430   8.6385   64.505   9.2690   64.505   9.2690   64.505   9.2690  164.430   12.217  164.430   12.217 -0.000000 0.000000 
1 1 1   14    0   18 o  104.991   8.9410   26.986   5.9660   26.986   5.9660   26.986   5.9660  104.991   12.645  104.991   12.645 -0.000000 0.000000 
1 1 1   14    0   19 o   56.680   12.394   9.4386   4.0643   9.4386   4.0643   9.4386   4.0643   56.680   17.528   56.680   17.528 -0.000000 0.000000 
1 1 1   14    0   20 o   49.180   13.005   7.6697   3.9417   7.6697   3.9417   7.6697   3.9417   49.180   18.392   49.180   18.392 -0.000000 0.000000 
1 1 1   14    0   21 o   70.969   11.608   13.588   4.7378   13.588   4.7378   13.588   4.7378   70.969   16.417   70.969   16.417 -0.000000 0.000000 
1 1 1   14    0   22 o  146.789   8.6111   51.667   8.2220   51.667   8.2220   51.667   8.2220  146.789   12.178  146.789   12.178 -0.000000 0.000000 
1 1 1   14    0   23 o  349.186   16.246  294.590   37.123  294.590   37.123  294.590   37.123  349.186   22.976  349.186   22.976 -0.000000 0.000000 
1 1 1   14    0   24 o  101.010   8.6014   25.000   5.5217   25.000   5.5217   25.000   5.5217  101.010   12.164  101.010   12.164 -0.000000 0.000000 
1 1 1   14    0   25 o   60.813   11.762   10.445   4.0874   10.445   4.0874   10.445   4.0874   60.813   16.634   60.813   16.634 -0.000000 0.000000 
1 1 1   14    0   26 o   33.383   12.353   3.8371   3.5823   3.8371   3.5823   3.8371   3.5823   33.383   17.469   33.383   17.469 -0.000000 0.000000 
1 1 1   14    0   27 o  166.313   9.4612   66.439   10.245   66.439   10.245   66.439   10.245  166.313   13.380  166.313   13.380 -0.000000 0.000000 
1 1 1   14    0   28 o  256.357   12.569  158.335   21.061  158.335   21.061  158.335   21.061  256.357   17.775  256.357   17.775 -0.000000 0.000000 
1 1 1   14    0   29 o  248.260   12.903  149.082   20.909  149.082   20.909  149.082   20.909  248.260   18.248  248.260   18.248 -0.000000 0.000000 
1 1 1   14    0   30 o  112.856   12.074   32.205   8.3960   32.205   8.3960   32.205   8.3960  112.856   17.075  112.856   17.075 -0.000000 0.000000 
1 1 1   14    0   31 o   89.550   20.672   24.623   10.836   24.623   10.836   24.623   10.836   89.550   29.235   89.550   29.235 -0.000000 0.000000 
1 1 1   14    0   33 o  299.399   28.469  240.155   53.473  240.155   53.473  240.155   53.473  299.399   40.262  299.399   40.262 -0.000000 0.000000 
1 1 1   14    0   34 o   98.900   20.337   28.961   11.539   28.961   11.539   28.961   11.539   98.900   28.761   98.900   28.761 -0.000000 0.000000 
1 1 1   14    0   35 o   42.233   15.768   6.2884   5.8766   6.2884   5.8766   6.2884   5.8766   42.233   22.300   42.233   22.300 -0.000000 0.000000 
1 1 1   14    0   36 o   91.115   14.187   22.442   7.4751   22.442   7.4751   22.442   7.4751   91.115   20.063   91.115   20.063 -0.000000 0.000000 
1 1 1   14    0   37 o  196.208   13.546   94.844   17.183   94.844   17.183   94.844   17.183  196.208   19.158  196.208   19.158 -0.000000 0.000000 
1 1 1   14    0   38 f   41.065   15.887   5.7882   6.1625   5.7882   6.1625   5.7882   6.1625   41.065   22.468   41.065   22.468 -0.000000 0.000000 
1 1 1   14    0   39 o   34.962   14.758   3.2569   6.0285   3.2569   6.0285   3.2569   6.0285   34.962   20.870   34.962   20.870 -0.000000 0.000000 
1 1 1   14    0   40 o  201.930   13.887  100.878   18.132  100.878   18.132  100.878   18.132  201.930   19.640  201.930   19.640 -0.000000 0.000000 
1 1 1   14    0   41 o   69.525   21.454   17.199   10.245   17.199   10.245   17.199   10.245   69.525   30.340   69.525   30.340 -0.000000 0.000000 
1 1 1   14    0   42 o   88.002   15.958   21.892   8.0230   21.892   8.0230   21.892   8.0230   88.002   22.568   88.002   22.568 -0.000000 0.000000 
1 1 1   14    0   43 o  179.911   13.321   80.521   15.442   80.521   15.442   80.521   15.442  179.911   18.838  179.911   18.838 -0.000000 0.000000 
1 1 1   14    0   44 o  112.860   13.752   33.258   9.3443   33.258   9.3443   33.258   9.3443  112.860   19.449  112.860   19.449 -0.000000 0.000000 
1 1 1   14    0   45 o   43.459   16.429   6.7872   6.4461   6.7872   6.4461   6.7872   6.4461   43.459   23.234   43.459   23.234 -0.000000 0.000000 
1 1 1   14    0   46 o   33.348   14.717   2.0360   6.6212   2.0360   6.6212   2.0360   6.6212   33.348   20.814   33.348   20.814 -0.000000 0.000000 
1 1 1   14    0   47 o   64.711   22.345   16.075   11.283   16.075   11.283   16.075   11.283   64.711   31.600   64.711   31.600 -0.000000 0.000000 
1 1 1   14    0   48 o   54.396   22.668   10.480   13.901   10.480   13.901   10.480   13.901   54.396   32.057   54.396   32.057 -0.000000 0.000000 
1 1 1   14    0   49 o   29.242   13.720  -1.2562   7.0283  -1.2562   7.0283  -1.2562   7.0283   29.242   19.404   29.242   19.404 -0.000000 0.000000 
1 1 1   14    0   50 o   66.989   19.829   16.097   8.8031   16.097   8.8031   16.097   8.8031   66.989   28.042   66.989   28.042 -0.000000 0.000000 
1 1 1   14    0   51 o   93.929   25.285   31.906   14.771   31.906   14.771   31.906   14.771   93.929   35.759   93.929   35.759 -0.000000 0.000000 
1 1 1   14    0   52 o   50.477   20.862   9.4369   11.603   9.4369   11.603   9.4369   11.603   50.477   29.503   50.477   29.503 -0.000000 0.000000 
1 1 1   14    0   53 o   44.009   17.201   7.3504   7.3085   7.3504   7.3085   7.3504   7.3085   44.009   24.326   44.009   24.326 -0.000000 0.000000 
1 1 1   14    0   54 o   89.523   17.600   24.622   9.0087   24.622   9.0087   24.622   9.0087   89.523   24.891   89.523   24.891 -0.000000 0.000000 
1 1 1   14    0   55 o   94.367   16.713   26.275   9.0168   26.275   9.0168   26.275   9.0168   94.367   23.635   94.367   23.635 -0.000000 0.000000 
1 1 1   14    0   56 o   37.339   14.938   5.2262   5.6716   5.2262   5.6716   5.2262   5.6716   37.339   21.125   37.339   21.125 -0.000000 0.000000 
1 1 1   14    0   57 o   16.699   8.6050 -11.7508   5.5672 -11.7508   5.5672 -11.7508   5.5672   16.699   12.169   16.699   12.169 -0.000000 0.000000 
1 1 1   14    0   58 f   35.381   14.765   4.5760   5.9128   4.5760   5.9128   4.5760   5.9128   35.381   20.881   35.381   20.881 -0.000000 0.000000 
1 1 1   14    0   59 o   36.532   15.039   5.1072   5.9938   5.1072   5.9938   5.1072   5.9938   36.532   21.269   36.532   21.269 -0.000000 0.000000 
1 1 1   14    0   60 o   36.512   15.834   4.9091   7.3452   4.9091   7.3452   4.9091   7.3452   36.512   22.392   36.512   22.392 -0.000000 0.000000 
1 1 1   14    1    0 o  275.922   11.351  180.779   20.540  180.779   20.540  180.779   20.540  275.922   16.053  275.922   16.053 -0.000000 0.000000 
1 1 1   14    1    1 o  355.462   13.866  300.718   23.028  309.069   32.570  292.371   32.563  360.487   19.333  350.437   19.883 10.05020 27.73199 
1 1 1   14    1    2 o  393.164   15.284  369.387   28.069  382.901   39.697  355.876   39.694  400.518   21.208  385.811   22.014 14.70746 30.56812 
1 1 1   14    1    3 o  222.055   10.866  116.572   11.269  121.243   15.937  111.900   15.938  226.556   15.052  217.553   15.675 9.003052 21.73197 
1 1 1   14    1    4 o  240.751   10.905  138.010   12.088  130.448   18.466  143.680   15.990  234.675   16.837  246.827   13.861 -12.15146 21.80900 
1 1 1   14    1    5 o  286.570   12.421  195.530   16.425  189.642   25.089  199.946   21.729  282.419   19.008  290.721   15.993 -8.301819 24.84112 
1 1 1   14    1    6 o  181.169   8.2442   77.215   6.9774   74.404   9.8390   80.058   9.8964  177.834   11.838  184.505   11.477 -6.670761 16.48837 
1 1 1   14    1    7 o  225.061   10.460  119.825   10.865  120.900   14.324  118.369   16.674  226.446   13.535  223.677   15.950 2.769424 20.91935 
1 1 1   14    1    8 o  320.725   13.639  242.739   20.294  228.969   26.835  261.138   31.019  310.421   18.497  331.030   20.050 -20.60950 27.27899 
1 1 1   14    1    9 o  332.296   13.884  262.376   21.360  258.722   28.254  267.249   32.632  330.007   18.320  334.585   20.869 -4.578461 27.76885 
1 1 1   14    1   10 o  197.291   10.236   91.909   9.4380   91.830   13.325   91.990   13.370  197.207   14.458  197.374   14.494 -0.1663818 20.47208 
1 1 1   14    1   11 o  335.660   19.139  273.458   29.937  249.805   42.257  297.292   42.418  320.548   28.207  350.772   25.875 -30.22409 38.27733 
1 1 1   14    1   12 f  277.655   17.887  182.809   20.135  192.835   40.468  179.510   23.212  280.452   30.875  274.859   18.070 5.593140 35.77445 
1 1 1   14    1   13 o  218.917   18.486  115.843   18.849  129.368   27.226  103.393   26.122  231.448   25.170  206.385   27.082 25.06281 36.97282 
1 1 1   14    1   14 o  153.143   13.503   57.641   9.3043   64.601   12.145   47.752   14.476  165.164   15.734  141.121   21.949 24.04349 27.00624 
1 1 1   14    1   15 o  283.976   23.326  199.843   30.923  212.901   44.336  187.473   43.152  293.321   32.343  274.632   33.621 18.68900 46.65191 
1 1 1   14    1   16 o  286.810   17.464  190.257   20.345  217.748   41.551  181.587   23.334  297.510   29.884  276.108   18.083 21.40210 34.92859 
1 1 1   14    1   17 o  170.916   12.753   62.829   8.6229   83.075   18.905   57.510   9.6895  185.813   21.770  156.019   13.289 29.79404 25.50534 
1 1 1   14    1   18 o  126.540   9.8432   37.007   5.6196   41.293   9.4565   34.667   6.9873  131.895   15.341  121.184   12.337 10.71116 19.68647 
1 1 1   14    1   19 o  228.758   12.400  124.294   12.984  128.486   20.691  121.571   16.677  231.449   19.128  226.066   15.785 5.383987 24.80026 
1 1 1   14    1   20 o  209.743   11.033  102.902   10.619  114.072   17.014   95.774   13.591  218.639   16.650  200.846   14.479 17.79314 22.06551 
1 1 1   14    1   21 o  279.359   13.113  187.267   17.119  188.228   24.220  186.308   24.202  280.092   18.502  278.627   18.586 1.465271 26.22520 
1 1 1   14    1   22 o  578.969   28.002  880.930   75.622  824.644  106.925  937.260  106.967  558.172   40.989  599.765   38.161 -41.59247 56.00370 
1 1 1   14    1   23 o  378.472   20.337  354.897   35.300  345.002   45.517  369.828   55.915  374.052   26.038  382.891   31.247 -8.839020 40.67349 
1 1 1   14    1   24 o  186.911   9.8698   83.104   8.6088   87.639   12.121   78.487   12.229  192.163   13.496  181.659   14.405 10.50450 19.73951 
1 1 1   14    1   25 o  296.485   14.280  213.412   19.709  192.277   27.860  234.586   27.886  281.223   21.198  311.747   19.140 -30.52390 28.56015 
1 1 1   14    1   26 o  222.395   12.810  118.100   13.112  124.999   20.629  113.424   16.985  227.302   19.420  217.487   16.710 9.814514 25.61941 
1 1 1   14    1   27 o  235.925   12.608  132.656   13.698  143.046   21.589  125.656   17.721  243.075   19.005  228.775   16.575 14.29961 25.21690 
1 1 1   14    1   28 o  136.960   8.7261   44.944   5.5137   52.867   7.7765   36.935   7.8188  149.411   11.137  124.508   13.437 24.90332 17.45225 
1 1 1   14    1   29 o  116.369   8.7761   32.344   4.7452   36.184   6.6973   28.474   6.7241  123.461   11.607  109.276   13.166 14.18436 17.55223 
1 1 1   14    1   30 o  161.656   18.766   79.045   10.745   46.989   21.679   89.484   12.371  129.863   34.949  193.449   13.683 -63.58649 37.53241 
1 1 1   14    1   31 o   58.921   15.467   6.9935   5.6685   7.0122   7.8320   6.9729   8.2148   58.626   21.641   59.217   22.103 -0.5912666 30.93327 
1 1 1   14    1   32 o   70.903   23.145   12.249   8.8174   12.249   8.8174   0.0000   0.0000   70.903   23.145  ?   ?       ?      ? 
1 1 1   14    1   33 f  152.695   23.517   58.370   16.782   58.370   16.782   0.0000   0.0000  152.695   23.517  ?   ?       ?      ? 
1 1 1   14    1   34 o   79.006   16.202   15.914   6.5971   21.670   9.2895   10.058   9.3704   91.496   21.996   66.516   23.796 24.98006 32.40444 
1 1 1   14    1   35 f  207.397   13.716  106.822   13.164  123.072   18.615   90.565   18.619  224.167   17.768  190.627   20.899 33.54031 27.43101 
1 1 1   14    1   36 o  162.142   12.144   64.344   9.1366   55.637   12.875   73.176   12.968  150.594   18.294  173.689   15.975 -23.09552 24.28704 
1 1 1   14    1   37 o  148.297   11.759   53.527   8.1407   50.746   11.511   56.310   11.515  144.284   17.070  152.310   16.176 -8.026215 23.51743 
1 1 1   14    1   38 o   72.924   13.681   13.561   4.8145   16.717   6.8211   10.427   6.7963   81.085   18.419   64.764   20.233 16.32121 27.36155 
1 1 1   14    1   39 o   69.841   13.703   12.049   4.8896   17.841   7.0581   6.7051   6.7802   83.818   18.512   55.863   20.210 27.95518 27.40684 
1 1 1   14    1   40 o  149.958   12.311   55.906   8.3736   40.723   11.734   71.662   11.953  127.951   19.623  171.964   14.873 -44.01358 24.62226 
1 1 1   14    1   41 o  126.546   11.884   39.324   7.0275   40.174   9.9968   38.494   9.8809  127.929   16.720  125.163   16.892 2.766129 23.76783 
1 1 1   14    1   42 o  170.977   11.748   72.868   9.1063   78.419   11.855   64.879   14.222  180.157   14.080  161.796   18.808 18.36044 23.49499 
1 1 1   14    1   43 o   80.255   12.395   15.667   4.9666   5.6711   6.6593   28.198   7.4558   52.897   19.870  107.612   14.825 -54.71577 24.79066 
1 1 1   14    1   44 o  135.476   12.473   46.193   7.7574   54.683   10.857   37.339   11.088  149.262   15.564  121.691   19.496 27.57056 24.94655 
1 1 1   14    1   45 o  129.382   12.247   41.744   7.3768   46.041   10.484   37.530   10.381  136.378   16.450  122.386   18.150 13.99163 24.49494 
1 1 1   14    1   46 o   86.215   18.495   20.673   8.0992   21.167   11.644   20.210   11.273   87.093   26.354   85.338   25.955 1.755272 36.98916 
1 1 1   14    1   47 o   59.728   21.099   8.6471   7.3447   8.6471   7.3447   0.0000   0.0000   59.728   21.099  ?   ?       ?      ? 
1 1 1   14    1   48 o   52.888   22.784   1.7849   10.214   1.7849   10.214   0.0000   0.0000   52.888   22.784  ?   ?       ?      ? 
1 1 1   14    1   49 o   51.055   15.383  -0.0931   6.6965   7.8055   10.197  -6.0822   8.8794   61.203   24.157   40.906   19.053 20.29642 30.76612 
1 1 1   14    1   50 o   73.932   12.776   13.082   5.3246   26.372   7.8855   1.9442   7.2188  101.888   16.560   45.975   19.458 55.91352 25.55112 
1 1 1   14    1   51 o  101.615   16.401   27.367   7.0146   34.512   13.329   24.631   8.2492  107.520   26.658   95.709   19.112 11.81133 32.80121 
1 1 1   14    1   52 o   74.971   16.575   15.685   6.0389   16.108   11.690   15.530   7.0529   74.696   26.593   75.246   19.791 -0.5505905 33.14941 
1 1 1   14    1   53 o   37.426   12.479  -5.0066   5.2402 -10.2622   10.083  -3.0619   6.1336   39.539   18.961   35.313   16.230 4.225624 24.95852 
1 1 1   14    1   54 o   59.230   13.038   7.0195   4.8569   18.721   7.4229  -1.7410   6.4226   80.978   19.783   37.483   16.989 43.49501 26.07666 
1 1 1   14    1   55 o  134.339   12.915   48.394   8.0778   53.737   11.616   43.391   11.241  142.252   17.473  126.427   19.024 15.82468 25.83066 
1 1 1   14    1   56 o   36.676   12.020  -3.7423   4.9332  -0.4522   7.2205  -6.6228   6.7560   40.601   18.242   32.752   15.656 7.848736 24.03983 
1 1 1   14    1   57 o   36.528   11.696  -2.3490   4.2600  -5.6132   5.4656   2.7037   6.7999   29.405   14.064   43.651   18.693 -14.24590 23.39223 
1 1 1   14    1   58 o   50.230   13.844   5.2977   5.3301  -2.5227   7.7790   12.219   7.3180   38.583   17.924   61.878   21.104 -23.29495 27.68884 
1 1 1   14    1   59 o   96.599   14.384   29.186   6.4897   39.584   9.2681   19.183   9.0901  118.708   16.706   74.490   23.421 44.21847 28.76836 
1 1 1   14    1   60 o   43.150   13.032   2.7911   4.9205  -2.0251   7.1834   7.0482   6.7536   36.908   17.172   49.392   19.607 -12.48419 26.06401 
1 1 1   14    2    0 o  190.311   9.9106   86.392   12.310   86.392   12.310   86.392   12.310  190.311   14.016  190.311   14.016 -0.000000 0.000000 
1 1 1   14    2    1 o  298.000   14.912  213.893   19.463  206.150   33.696  217.771   23.843  292.780   24.626  303.219   16.825 -10.43872 29.82471 
1 1 1   14    2    2 o  197.288   9.4022   92.090   8.5660   89.233   13.050   94.252   11.354  194.451   14.361  200.126   12.140 -5.675400 18.80431 
1 1 1   14    2    3 o  254.328   10.415  152.825   12.368  160.192   17.483  145.444   17.499  260.533   14.358  248.122   15.091 12.41049 20.83006 
1 1 1   14    2    4 o  402.211   16.641  386.981   30.996  379.459   40.989  397.027   47.369  398.316   22.019  406.106   24.958 -7.789978 33.28296 
1 1 1   14    2    5 o  348.011   14.840  290.272   23.822  297.135   31.500  281.102   36.412  353.474   19.068  342.547   22.745 10.92700 29.68011 
1 1 1   14    2    6 o  238.265   11.570  134.421   12.880  138.434   18.229  130.421   18.200  241.861   16.127  234.670   16.595 7.190750 23.14035 
1 1 1   14    2    7 o  149.308   8.5335   52.492   5.9483   55.450   8.4335   49.564   8.3908  153.522   11.754  145.093   12.374 8.429123 17.06698 
1 1 1   14    2    8 o  247.417   11.137  145.877   12.688  137.895   19.382  151.862   16.784  241.163   17.197  253.672   14.158 -12.50981 22.27473 
1 1 1   14    2    9 o  107.041   8.1983   26.450   3.9393   28.738   6.6782   25.228   4.8784  110.438   12.939  103.644   10.071 6.793877 16.39658 
1 1 1   14    2   10 o  112.139   8.7821   30.409   4.2931   27.306   7.3632   32.007   5.2843  107.519   14.653  116.759   9.6840 -9.239708 17.56416 
1 1 1   14    2   11 o  156.482   10.090   58.511   7.1563   60.929   9.1838   54.774   11.418  160.862   12.216  152.102   16.063 8.760086 20.18032 
1 1 1   14    2   12 o  344.591   19.786  288.849   31.859  294.165   45.014  283.514   45.097  347.911   27.684  341.271   28.275 6.639832 39.57132 
1 1 1   14    2   13 f  193.558   11.131   88.000   9.9269   84.697   12.892   92.811   15.559  189.313   14.571  197.804   16.831 -8.490921 22.26178 
1 1 1   14    2   14 o  197.331   11.432   93.474   10.298   98.567   13.435   86.220   16.034  204.269   14.073  190.393   18.020 13.87668 22.86429 
1 1 1   14    2   15 o  226.793   12.896  122.426   13.658  129.185   19.524  115.948   19.113  232.992   17.930  220.594   18.540 12.39742 25.79175 
1 1 1   14    2   16 f  196.359   12.270   91.945   11.175  106.243   15.977   78.254   15.635  211.570   16.159  181.147   18.468 30.42322 24.53906 
1 1 1   14    2   17 o  353.508   20.118  307.437   33.193  324.051   46.873  290.723   47.012  363.622   27.582  343.395   29.294 20.22708 40.23547 
1 1 1   14    2   18 o  285.384   13.836  195.333   18.451  198.703   26.082  191.956   26.106  287.917   19.383  282.851   19.748 5.066162 27.67146 
1 1 1   14    2   19 o  176.348   9.4781   73.754   7.7857   66.668   10.975   80.932   11.047  167.702   14.003  184.994   12.777 -17.29208 18.95626 
1 1 1   14    2   20 f  276.451   15.109  190.254   18.727  161.732   29.614  209.262   24.175  257.122   24.644  295.780   17.488 -38.65820 30.21848 
1 1 1   14    2   21 o  262.670   13.925  163.474   16.836  181.150   26.684  151.783   21.701  273.809   20.853  251.530   18.461 22.27907 27.85036 
1 1 1   14    2   22 o   84.671   13.260   18.351   4.4879   15.614   9.3795   19.164   5.1109   79.307   23.576   90.035   12.146 -10.72793 26.52066 
1 1 1   14    2   23 o  134.081   11.572   39.371   6.4031   50.807   13.099   35.781   7.3397  145.242   19.298  122.919   12.777 22.32273 23.14440 
1 1 1   14    2   24 o   75.656   11.544   15.959   4.0275   6.7796   6.6563   21.260   5.0586   56.464   20.071   94.847   11.412 -38.38373 23.08825 
1 1 1   14    2   25 o  119.791   9.5602   32.957   5.2510   40.261   8.4922   28.435   6.6814  130.115   13.965  109.468   13.060 20.64680 19.12046 
1 1 1   14    2   26 o  256.748   13.184  159.708   15.708  138.122   22.162  181.496   22.266  238.694   19.867  274.802   17.338 -36.10857 26.36826 
1 1 1   14    2   27 o   51.572   10.467   6.4865   2.6534   6.1125   3.6510   6.9050   3.8628   50.116   14.659   53.028   14.945 -2.911598 20.93398 
1 1 1   14    2   28 o  187.898   9.8026   84.265   8.6068   85.427   12.136   83.088   12.208  189.241   13.722  186.554   14.003 2.687332 19.60512 
1 1 1   14    2   29 o   98.175   8.8875   23.078   4.0532   24.782   5.5843   21.181   5.8922  102.148   11.698   94.202   13.384 7.945908 17.77507 
1 1 1   14    2   30 o  250.576   16.901  148.891   17.370  175.245   35.018  140.290   20.005  260.816   28.729  240.337   17.811 20.47987 33.80166 
1 1 1   14    2   31 o  112.694   16.437   32.558   8.5134   24.412   12.112   40.512   11.968   96.684   26.167  128.704   19.898 -32.02015 32.87319 
1 1 1   14    2   32 o  246.334   21.219  149.384   24.428  149.384   24.428   0.0000   0.0000  246.334   21.219  ?   ?       ?      ? 
1 1 1   14    2   33 o   70.919   22.978   12.412   8.6981   12.412   8.6981   0.0000   0.0000   70.919   22.978  ?   ?       ?      ? 
1 1 1   14    2   34 o   75.948   14.816   13.772   5.2906   19.334   8.9376   10.772   6.5643   86.343   22.066   65.552   19.777 20.79088 29.63149 
1 1 1   14    2   35 f  123.627   11.447   37.322   6.5462   31.268   9.2187   43.479   9.2971  113.080   17.444  134.174   14.826 -21.09439 22.89342 
1 1 1   14    2   36 f  121.919   11.510   36.123   6.5517   37.909   9.2592   34.333   9.2717  125.060   15.842  118.778   16.702 6.282440 23.02046 
1 1 1   14    2   37 o   39.427   11.868  -0.3149   3.9729  -3.3587   5.6579   2.6455   5.5799   34.513   15.759   44.342   17.750 -9.829002 23.73639 
1 1 1   14    2   38 o  133.944   10.174   43.445   6.1965   44.328   7.9526   42.081   9.8859  136.174   12.496  131.715   16.060 4.458832 20.34866 
1 1 1   14    2   39 o  120.875   10.798   36.188   5.8560   39.133   7.5166   31.639   9.3405  127.935   12.572  113.815   17.560 14.11980 21.59646 
1 1 1   14    2   40 f  137.550   11.829   46.736   7.5268   52.521   10.456   40.513   10.844  147.009   15.218  128.091   18.115 18.91747 23.65873 
1 1 1   14    2   41 o  147.775   12.077   54.022   8.2745   60.145   11.541   47.545   11.870  157.004   15.728  138.546   18.332 18.45801 24.15464 
1 1 1   14    2   42 o   99.411   13.307   25.166   5.9551   26.355   8.4817   24.010   8.3632  101.913   18.489   96.909   19.145 5.004829 26.61489 
1 1 1   14    2   43 o  119.758   15.046   36.412   7.8724   35.130   9.7740   38.780   13.283  119.102   17.560  120.414   24.438 -1.312737 30.09269 
1 1 1   14    2   44 o  140.967   14.712   49.743   9.2035   47.775   11.296   53.628   15.873  138.641   17.434  143.293   23.702 -4.652573 29.42321 
1 1 1   14    2   45 f   80.979   14.994   15.646   5.1943   13.454   6.0168   22.058   10.292   72.017   17.943   89.940   24.028 -17.92229 29.98805 
1 1 1   14    2   46 o   74.487   17.927   14.213   7.5335   18.829   11.264   10.479   10.133   82.561   26.086   66.412   24.596 16.14943 35.85303 
1 1 1   14    2   47 o   59.634   24.079   6.3402   10.366   6.3402   10.366   0.0000   0.0000   59.634   24.079  ?   ?       ?      ? 
1 1 1   14    2   49 o  101.383   18.431   29.369   8.9946   38.407   13.082   21.267   12.387  117.164   24.672   85.602   27.388 31.56164 36.86166 
1 1 1   14    2   50 o  136.521   15.663   47.133   9.4331   67.754   16.115   36.384   11.635  158.572   21.745  114.470   22.550 44.10198 31.32688 
1 1 1   14    2   51 o  106.192   12.617   28.452   6.0301   23.248   7.7575   36.398   9.5853   93.367   18.432  119.017   17.233 -25.64999 25.23323 
1 1 1   14    2   52 o  126.024   12.020   40.139   6.9221   37.617   8.8062   44.216   11.198  121.929   15.454  130.120   18.414 -8.191025 24.03959 
1 1 1   14    2   53 o   50.374   13.728   5.6210   4.5981   6.7982   6.3932   4.3597   6.6179   52.726   19.535   48.023   19.293 4.703350 27.45553 
1 1 1   14    2   54 o   95.104   14.544   25.769   6.2470   27.547   9.3902   24.358   8.3673   97.559   21.201   92.650   19.916 4.908386 29.08852 
1 1 1   14    2   55 o  101.759   13.538   27.630   6.2080   40.118   9.6044   18.668   8.1361  123.531   16.636   79.986   21.362 43.54533 27.07545 
1 1 1   14    2   56 o   45.576   13.416   3.5218   4.8465   0.3273   7.5490   5.7617   6.3213   42.241   18.839   48.911   19.106 -6.670452 26.83136 
1 1 1   14    2   57 o   49.260   13.669   4.5527   4.8363   11.148   7.4668  -0.2136   6.3478   60.188   21.272   38.332   17.172 21.85591 27.33829 
1 1 1   14    2   58 o   75.113   17.089   19.557   6.7316   18.075   8.7577   21.697   10.523   73.025   22.993   77.201   25.289 -4.176125 34.17897 
1 1 1   14    2   59 o   48.247   13.464   5.6048   5.0977   9.7407   5.9816  -5.3695   9.7437   56.591   19.081   39.904   18.999 16.68759 26.92707 
1 1 1   14    2   60 o   41.465   12.939   1.5803   5.0932  -2.6539   7.5186   5.1713   6.9240   36.916   17.304   46.015   19.241 -9.098560 25.87745 
1 1 1   14    3    0 o  699.932   31.487  1212.76  144.308  1212.76  144.308  1212.76  144.308  699.932   44.529  699.932   44.529 -0.000000 0.000000 
1 1 1   14    3    1 o  360.815   15.114  310.616   25.233  308.443   33.381  313.515   38.544  359.884   19.847  361.746   22.799 -1.862457 30.22725 
1 1 1   14    3    2 o  416.258   17.466  417.393   33.597  420.289   44.438  413.529   51.329  418.879   22.700  413.637   26.552 5.242188 34.93293 
1 1 1   14    3    3 o  303.762   13.115  218.393   18.459  213.020   24.421  225.553   28.192  299.713   17.434  307.811   19.598 -8.097839 26.23034 
1 1 1   14    3    4 o  321.361   14.756  247.066   22.070  272.863   31.242  221.367   31.182  338.499   19.748  304.224   21.931 34.27457 29.51246 
1 1 1   14    3    5 o  205.419   9.3579   98.635   8.9095  105.600   13.672   93.494   11.746  211.589   13.826  199.248   12.614 12.34140 18.71572 
1 1 1   14    3    6 o  324.154   13.910  250.978   20.815  245.118   31.811  255.365   27.525  320.328   21.249  327.979   17.957 -7.650482 27.82038 
1 1 1   14    3    7 o  264.497   11.560  166.116   14.126  162.362   21.531  168.953   18.718  261.588   17.612  267.406   14.978 -5.818390 23.11937 
1 1 1   14    3    8 o  428.634   17.859  444.339   35.339  433.734   53.954  452.307   46.766  423.033   27.290  434.236   23.044 -11.20270 35.71820 
1 1 1   14    3    9 o  405.235   18.555  397.069   35.141  397.491   49.681  396.645   49.711  405.462   26.218  405.007   26.263 0.4552002 37.11000 
1 1 1   14    3   10 o  251.412   12.034  149.891   14.138  147.836   19.979  151.952   20.009  249.663   17.123  253.161   16.912 -3.497681 24.06701 
1 1 1   14    3   11 o  302.569   15.181  219.240   20.204  219.628   24.747  218.463   34.990  304.186   17.408  300.952   24.877 3.233582 30.36267 
1 1 1   14    3   12 f  453.813   22.382  504.544   46.577  494.871   60.137  519.046   73.632  450.533   28.561  457.094   34.468 -6.560272 44.76357 
1 1 1   14    3   13 o  354.232   14.677  300.142   24.293  292.839   34.356  307.444   34.355  349.821   21.014  358.643   20.497 -8.822052 29.35492 
1 1 1   14    3   14 o  119.069   9.6819   33.074   5.3324   36.252   8.2805   30.822   6.9701  123.840   14.307  114.298   13.048 9.541206 19.36372 
1 1 1   14    3   15 o  133.075   9.7099   41.425   5.9180   39.837   7.5809   43.902   9.4691  129.971   12.480  136.180   14.878 -6.208847 19.41976 
1 1 1   14    3   16 o  229.416   14.411  126.370   15.417  135.252   21.745  117.393   21.861  237.760   19.569  221.072   21.159 16.68820 28.82129 
1 1 1   14    3   17 o  157.855   10.519   59.094   7.6463   59.027   11.862   59.141   10.001  157.581   16.107  158.128   13.533 -0.5467987 21.03783 
1 1 1   14    3   18 o  283.831   15.387  192.521   20.102  206.529   31.701  183.102   25.996  291.713   23.253  275.949   20.158 15.76440 30.77386 
1 1 1   14    3   19 f  246.339   11.812  144.801   13.595  140.586   19.165  149.070   19.288  242.672   16.899  250.007   16.508 -7.335480 23.62364 
1 1 1   14    3   20 o  196.657   11.920   93.818   10.656   85.321   16.693   99.663   13.844  188.460   18.953  204.855   14.461 -16.39430 23.83946 
1 1 1   14    3   21 o  283.328   16.579  206.382   20.576  153.879   32.480  241.577   26.592  249.108   27.899  317.547   17.919 -68.43921 33.15726 
1 1 1   14    3   22 o  184.386   9.8515   80.698   8.4878   81.619   11.940   79.758   12.068  185.481   13.774  183.290   14.088 2.190964 19.70293 
1 1 1   14    3   23 o  261.077   12.284  163.339   14.987  165.319   21.184  161.355   21.205  262.705   17.254  259.449   17.488 3.255554 24.56718 
1 1 1   14    3   24 f  245.597   14.223  150.038   15.663  164.070   20.178  128.763   24.845  261.845   16.489  229.350   23.179 32.49510 28.44548 
1 1 1   14    3   25 o  200.846   9.9408   95.978   9.3307   94.884   13.174   97.079   13.217  199.682   14.117  202.009   14.000 -2.327240 19.88168 
1 1 1   14    3   26 o  169.616   11.166   69.301   8.5579   66.999   13.872   70.716   10.874  166.785   17.796  172.446   13.492 -5.660858 22.33288 
1 1 1   14    3   27 o  311.570   17.491  245.671   24.608  221.319   38.909  261.905   31.768  295.686   28.156  327.454   20.758 -31.76822 34.98143 
1 1 1   14    3   28 o  268.103   14.471  179.717   17.488  159.080   27.657  193.462   22.573  253.139   23.378  283.068   17.063 -29.92967 28.94258 
1 1 1   14    3   29 o  181.498   12.586   74.831   9.4467   91.438   19.029   69.400   10.882  192.603   21.140  170.393   13.666 22.20964 25.17274 
1 1 1   14    3   30 o  186.254   17.603   91.500   13.463   78.165   23.615   97.920   16.386  171.528   30.580  200.980   17.445 -29.45280 35.20614 
1 1 1   14    3   31 o  139.374   15.455   51.182   8.9122   56.365   10.976   41.148   15.270  153.223   15.327  125.524   26.842 27.69891 30.90956 
1 1 1   14    3   32 f  142.958   22.941   50.828   15.327   50.828   15.327   0.0000   0.0000  142.958   22.941  ?   ?       ?      ? 
1 1 1   14    3   33 o  195.993   22.279  104.999   19.082  136.248   26.807   72.896   27.170  232.048   24.718  159.938   37.073 72.11018 44.55786 
1 1 1   14    3   34 o   83.052   12.696   17.429   4.7572   17.105   6.3513   17.842   7.1802   82.413   17.052   83.691   18.815 -1.278000 25.39253 
1 1 1   14    3   35 o   49.632   11.958   3.2074   3.8561  -2.4795   5.0804   10.937   5.9228   33.523   15.160   65.741   18.498 -32.21745 23.91642 
1 1 1   14    3   36 o  187.164   12.709   85.820   11.106   81.866   15.730   89.750   15.683  182.643   18.428  191.684   17.507 -9.040497 25.41764 
1 1 1   14    3   37 o   45.484   12.861   2.4544   4.2298   0.1123   5.9331   4.8751   6.0319   40.669   17.439   50.300   18.907 -9.631271 25.72188 
1 1 1   14    3   38 o  181.506   12.007   82.983   9.7206   92.572   12.547   68.584   15.375  196.373   13.671  166.639   19.742 29.73346 24.01305 
1 1 1   14    3   39 o  116.810   10.790   33.252   5.7124   34.128   7.3081   31.875   9.1587  119.322   13.105  114.298   17.146 5.023453 21.58047 
1 1 1   14    3   40 o  104.894   15.728   32.077   7.4055   40.437   9.2354   17.021   12.394  128.872   15.334   80.915   27.466 47.95782 31.45619 
1 1 1   14    3   41 o  191.556   16.687   92.878   14.187   90.266   17.469   97.941   24.317  190.249   19.647  192.863   26.978 -2.614456 33.37406 
1 1 1   14    3   42 o  100.107   15.673   28.608   7.1153   34.864   8.8148   16.909   12.054  119.562   15.775   80.652   27.088 38.90947 31.34661 
1 1 1   14    3   43 o   68.549   15.655   12.040   5.5282   12.663   6.6596   10.660   9.9144   69.884   19.598   67.213   24.419 2.671242 31.31094 
1 1 1   14    3   44 o  101.488   15.498   28.457   6.9572   31.871   8.6143   22.052   11.798  113.657   16.217   89.318   26.416 24.33920 30.99687 
1 1 1   14    3   45 o  130.998   15.659   42.619   8.5525   51.175   16.080   39.244   10.099  136.488   26.160  125.507   17.218 10.98108 31.31828 
1 1 1   14    3   46 o   86.948   18.382   21.185   8.1268   17.998   11.772   24.087   11.233   80.872   26.759   93.023   25.210 -12.15129 36.76379 
1 1 1   14    3   47 o   93.799   21.540   23.703   9.2434   23.703   9.2434   0.0000   0.0000   93.799   21.540  ?   ?       ?      ? 
1 1 1   14    3   48 o  130.538   17.458   43.051   10.651   43.051   10.651   0.0000   0.0000  130.538   17.458  ?   ?       ?      ? 
1 1 1   14    3   49 o  125.294   18.343   49.547   9.6487   31.965   17.745   56.928   11.497  100.123   32.840  150.464   16.350 -50.34166 36.68519 
1 1 1   14    3   50 o  117.613   14.165   36.977   7.6148   36.014   10.909   37.892   10.634  114.823   21.107  120.404   18.899 -5.581085 28.33095 
1 1 1   14    3   51 o   78.013   14.795   16.668   5.4413   15.638   7.0857   18.149   8.4948   75.625   19.811   80.402   21.978 -4.776985 29.58947 
1 1 1   14    3   52 o   92.480   14.319   23.177   5.9067   21.753   7.5595   25.408   9.4645   89.854   18.614   95.106   21.764 -5.252655 28.63841 
1 1 1   14    3   53 o  111.143   12.284   32.197   6.2679   30.312   8.0597   35.081   9.9704  108.089   15.955  114.196   18.682 -6.106583 24.56761 
1 1 1   14    3   54 o   57.599   14.087   8.6073   5.2639   14.080   6.8316   0.6104   8.2583   70.108   19.916   45.091   19.928 25.01782 28.17384 
1 1 1   14    3   55 o   48.678   14.241   2.7112   5.2131  -0.7020   6.5201   8.7598   8.6797   39.177   17.487   58.180   22.481 -19.00314 28.48193 
1 1 1   14    3   56 f   78.872   15.219   18.664   5.7113   15.528   7.3883   23.322   9.0030   71.229   20.858   86.514   22.167 -15.28531 30.43708 
1 1 1   14    3   57 o   54.620   16.810   6.0635   7.7571   3.0725   9.7530   11.213   12.797   48.654   21.572   60.585   25.786 -11.93140 33.61932 
1 1 1   14    3   58 o   69.776   17.601   17.390   7.0641   18.629   12.218   16.767   8.6577   69.327   26.706   70.226   22.934 -0.8992538 35.20189 
1 1 1   14    3   59 o   44.908   14.154   1.5093   5.4451   6.7259   10.156  -0.5955   6.4507   52.327   22.630   37.490   17.006 14.83709 28.30708 
1 1 1   14    3   60 o   55.254   19.512   9.8750   6.2809   0.0000   0.0000   9.8750   6.2809  ?   ?    55.254   19.512      ?      ? 
1 1 1   14    4    0 o  256.636   15.481  158.993   25.820  158.993   25.820  158.993   25.820  256.636   21.894  256.636   21.894 -0.000000 0.000000 
1 1 1   14    4    1 o  181.519   8.8666   77.175   7.4588   74.547   9.8563   80.697   11.410  177.997   11.848  185.041   13.194 -7.044357 17.73327 
1 1 1   14    4    2 o  301.274   15.038  214.258   20.844  203.016   26.908  231.128   32.962  291.969   19.720  310.579   22.709 -18.60938 30.07585 
1 1 1   14    4    3 o  137.905   7.9253   45.422   4.9971   40.751   7.6767   48.857   6.5826  131.553   12.486  144.257   9.7638 -12.70435 15.85055 
1 1 1   14    4    4 o  101.577   8.1502   25.339   3.6982   19.175   5.6539   29.948   4.8892   90.185   13.414  112.968   9.2607 -22.78297 16.30047 
1 1 1   14    4    5 o   51.741   9.2480   6.6676   2.2834   4.6882   3.3745   8.3393   3.1012   44.970   14.285   58.511   11.749 -13.54097 18.49595 
1 1 1   14    4    6 o   76.205   7.7218   13.569   2.7357   15.687   4.0277   11.756   3.7275   81.707   10.548   70.704   11.281 11.00364 15.44352 
1 1 1   14    4    7 o  284.643   13.616  193.468   18.020  215.585   25.487  171.357   25.482  301.266   18.102  268.020   20.344 33.24643 27.23122 
1 1 1   14    4    8 o  232.395   11.191  127.827   12.152  130.363   17.166  125.279   17.205  234.738   15.647  230.051   16.003 4.687469 22.38131 
1 1 1   14    4    9 o  221.704   10.280  116.762   10.515  120.648   13.946  111.641   16.008  226.214   13.191  217.193   15.770 9.021011 20.56007 
1 1 1   14    4   10 o  236.515   9.6056  131.440   10.534  127.869   13.961  136.159   16.051  232.924   12.825  240.107   14.304 -7.182587 19.21117 
1 1 1   14    4   11 o  306.470   12.887  221.557   18.316  209.667   24.196  237.516   28.031  297.147   17.424  315.793   18.993 -18.64603 25.77443 
1 1 1   14    4   12 o  218.416   10.595  112.833   10.808  107.359   15.178  118.464   15.393  212.996   15.247  223.836   14.715 -10.84041 21.18963 
1 1 1   14    4   13 o  273.058   13.331  177.737   17.009  173.694   23.994  181.821   24.116  269.888   19.023  276.228   18.681 -6.340240 26.66128 
1 1 1   14    4   14 f  329.981   16.440  262.591   25.349  267.515   35.801  257.640   35.898  333.197   22.991  326.765   23.507 6.431671 32.88073 
1 1 1   14    4   15 o  137.310   14.452   46.848   7.4319   47.693   8.4714   44.024   15.485  142.150   12.752  132.470   25.940 9.680283 28.90482 
1 1 1   14    4   16 o  211.203   11.683  105.306   11.323  102.026   14.587  110.277   17.960  207.415   15.049  214.991   17.875 -7.576843 23.36634 
1 1 1   14    4   17 o  167.921   11.618   68.125   8.9467   81.465   12.507   54.147   12.803  185.362   14.438  150.480   18.205 34.88214 23.23520 
1 1 1   14    4   18 o  217.324   10.574  113.285   10.496  106.704   16.421  117.829   13.647  211.519   16.611  223.129   13.087 -11.61055 21.14743 
1 1 1   14    4   19 o  179.809   8.8002   76.513   7.3897   78.978   10.380   73.980   10.523  182.798   12.150  176.820   12.734 5.977112 17.60046 
1 1 1   14    4   20 o  221.230   10.846  116.907   11.148  131.157   15.759  102.631   15.773  235.026   14.347  207.433   16.271 27.59367 21.69281 
1 1 1   14    4   21 o  219.136   11.460  112.256   11.553  127.476   18.401  102.352   14.844  230.911   17.051  207.362   15.317 23.54904 22.92082 
1 1 1   14    4   22 o  293.467   14.699  204.076   19.872  234.439   31.507  184.018   25.608  310.763   21.694  276.171   19.840 34.59189 29.39815 
1 1 1   14    4   23 o  172.069   9.6073   70.532   7.6881   78.227   10.853   62.781   10.893  181.678   12.782  162.460   14.347 19.21745 19.21455 
1 1 1   14    4   24 f  178.666   9.0886   75.732   7.5774   70.470   10.647   81.132   10.786  172.298   13.222  185.033   12.473 -12.73471 18.17719 
1 1 1   14    4   25 o  296.890   13.020  212.571   18.065  213.621   25.533  211.519   25.562  297.653   18.355  296.127   18.471 1.526062 26.03944 
1 1 1   14    4   26 o  268.064   14.251  176.525   17.401  166.064   27.365  183.627   22.547  260.019   22.519  276.108   17.473 -16.08899 28.50267 
1 1 1   14    4   27 o   63.224   10.648   9.8242   3.0734   9.0992   4.0353   10.826   4.7427   60.535   14.462   65.913   15.633 -5.378666 21.29611 
1 1 1   14    4   28 o  139.356   12.031   49.942   6.9078   39.957   12.521   54.311   8.2824  127.481   21.016  151.231   11.718 -23.74985 24.06191 
1 1 1   14    4   29 o   85.272   11.650   18.148   4.5034   10.963   6.2288   26.017   6.5188   66.180   19.086  104.365   13.365 -38.18404 23.30048 
1 1 1   14    4   30 o  183.201   12.181   81.370   10.399   87.657   14.640   74.969   14.773  190.640   16.432  175.763   17.985 14.87694 24.36113 
1 1 1   14    4   31 o  187.218   14.986   83.410   12.544   77.026   15.392   96.036   21.646  178.016   18.501  196.420   23.580 -18.40379 29.97175 
1 1 1   14    4   32 o   64.008   15.677   8.2840   5.4160   5.9231   6.5122   13.580   9.7537   53.823   19.755   74.193   24.348 -20.37000 31.35440 
1 1 1   14    4   33 o   72.933   17.086   12.651   6.8219   9.3739   9.0710   16.918   10.350   64.843   23.388   81.022   24.913 -16.17941 34.17123 
1 1 1   14    4   34 o   59.418   13.165   8.7111   4.0522   9.1911   5.3314   8.0544   6.2357   60.606   17.710   58.230   19.483 2.376217 26.32929 
1 1 1   14    4   35 o  101.647   11.073   25.103   5.2396   26.092   7.1973   23.987   7.6424  103.975   14.812   99.320   16.465 4.654587 22.14643 
1 1 1   14    4   36 o  110.358   11.927   31.350   5.6263   35.075   7.1619   25.347   9.0930  121.090   12.655   99.625   20.221 21.46504 23.85437 
1 1 1   14    4   37 o  181.708   11.129   80.160   9.2368   80.844   11.914   79.129   14.625  183.390   13.900  180.025   17.383 3.364914 22.25719 
1 1 1   14    4   38 o  178.951   15.226   78.703   12.124   76.108   14.933   83.722   20.769  176.329   18.121  181.573   24.474 -5.244461 30.45272 
1 1 1   14    4   39 o  149.681   16.636   61.264   10.275   69.365   12.783   46.471   17.274  168.812   16.203  130.550   29.059 38.26219 33.27125 
1 1 1   14    4   40 o  190.635   18.198   99.431   14.385  107.796   17.775   83.557   24.487  208.566   18.235  172.704   31.499 35.86168 36.39665 
1 1 1   14    4   41 o  141.290   18.212   52.139   11.751   58.461   17.457   46.901   15.889  150.437   24.829  132.142   26.649 18.29475 36.42315 
1 1 1   14    4   42 o  130.897   14.005   45.781   7.6717   66.900   10.824   24.462   10.875  166.274   13.929   95.521   24.302 70.75294 28.01079 
1 1 1   14    4   43 o   84.988   14.103   18.865   5.5002   18.488   7.5858   19.282   7.9865   84.192   19.639   85.784   20.247 -1.591354 28.20673 
1 1 1   14    4   44 f   85.254   14.328   19.142   5.6250   19.593   7.8678   18.671   8.0449   86.439   19.889   84.068   20.630 2.371231 28.65654 
1 1 1   14    4   45 o   90.682   14.095   21.595   5.8166   23.923   8.3314   19.381   8.1243   95.845   19.268   85.520   20.577 10.32563 28.18968 
1 1 1   14    4   46 o   74.291   14.775   15.706   6.3358   23.463   7.8419   1.1243   10.752   95.134   18.302   53.449   23.200 41.68466 29.54992 
1 1 1   14    4   47 o  231.775   17.601  135.538   19.065  135.538   19.065   0.0000   0.0000  231.775   17.601  ?   ?       ?      ? 
1 1 1   14    4   48 o   90.026   18.274   21.221   7.4259   21.221   7.4259   0.0000   0.0000   90.026   18.274  ?   ?       ?      ? 
1 1 1   14    4   49 o   48.347   14.785   1.7082   5.7631  -4.5753   11.692   3.7248   6.6237   48.793   22.419   47.901   19.281 0.8919449 29.56944 
1 1 1   14    4   50 o  155.102   19.905   76.080   12.688   57.628   21.923   85.375   15.559  129.150   35.309  181.053   18.388 -51.90315 39.81039 
1 1 1   14    4   51 o   80.700   15.890   18.622   6.4077   13.499   9.3556   23.149   8.7943   69.793   23.862   91.606   20.991 -21.81353 31.78079 
1 1 1   14    4   52 o   62.955   15.895   10.555   5.9138   11.827   8.5835   9.4052   8.1593   65.534   22.833   60.377   22.120 5.157364 31.79057 
1 1 1   14    4   53 o   86.886   15.727   22.337   6.4404   24.919   9.1793   19.834   9.0385   92.503   21.621   81.269   22.846 11.23407 31.45467 
1 1 1   14    4   54 o   70.273   15.455   14.177   5.4933   13.098   6.9651   15.954   8.9352   67.656   20.362   72.890   23.255 -5.233658 30.90985 
1 1 1   14    4   55 f   60.392   13.705   10.160   5.1684   16.357   6.6818   0.9293   8.1549   75.836   18.916   44.947   19.837 30.88908 27.41000 
1 1 1   14    4   56 o   72.379   16.732   17.230   6.5084   16.174   8.9315   18.426   9.5037   70.376   23.309   74.382   24.010 -4.005814 33.46347 
1 1 1   14    4   57 o   40.883   13.041  -1.0435   5.4171   3.5076   7.7721  -5.3431   7.5544   46.206   19.890   35.560   16.873 10.64602 26.08254 
1 1 1   14    4   58 o   31.866   10.772  -9.8594   4.4994 -17.5272   5.8626   1.1308   7.0187   22.568   11.411   41.164   18.273 -18.59659 21.54326 
1 1 1   14    4   59 o   64.826   15.652   14.509   5.8085   12.041   9.1061   16.201   7.5420   59.563   23.024   70.088   21.210 -10.52475 31.30456 
1 1 1   14    4   60 f   65.921   15.590   17.271   6.9938   2.8504   12.735   23.498   8.3686   48.564   22.685   83.278   21.390 -34.71447 31.17914 
1 1 1   14    5    0 o  675.809   27.799  1118.56  123.205  1118.56  123.205  1118.56  123.205  675.809   39.313  675.809   39.313 -0.000000 0.000000 
1 1 1   14    5    1 o  481.992   25.834  592.943   55.923  515.363   88.403  644.699   72.206  450.198   42.016  513.785   30.071 -63.58661 51.66865 
1 1 1   14    5    2 o  427.852   20.364  443.695   38.386  450.930   66.478  440.077   47.015  427.609   33.265  428.095   23.499 -0.4857178 40.72821 
1 1 1   14    5    3 o  507.530   23.783  636.800   52.976  633.213   91.739  638.594   64.888  501.635   39.131  513.426   27.042 -11.79099 47.56624 
1 1 1   14    5    4 o  345.660   15.122  286.342   24.145  280.680   36.838  290.607   31.971  342.028   23.045  349.292   19.585 -7.263367 30.24331 
1 1 1   14    5    5 o  301.736   13.610  216.762   19.189  212.364   27.127  221.167   27.147  298.617   19.438  304.855   19.054 -6.238068 27.21902 
1 1 1   14    5    6 o  199.049   11.002   92.664   10.083   99.770   15.899   87.883   13.042  205.195   16.579  192.902   14.466 12.29337 22.00336 
1 1 1   14    5    7 o  364.498   16.385  319.053   27.912  319.897   39.500  318.210   39.448  364.987   23.157  364.010   23.188 0.9767456 32.77057 
1 1 1   14    5    8 o  290.430   11.832  198.515   15.943  188.484   21.103  211.854   24.335  282.124   16.005  298.737   17.430 -16.61252 23.66366 
1 1 1   14    5    9 o  409.043   16.075  401.738   30.726  394.446   43.446  409.035   43.461  405.229   22.941  412.857   22.524 -7.628113 32.15024 
1 1 1   14    5   10 o  331.913   13.801  266.844   20.961  238.235   32.016  288.306   27.730  315.296   21.727  348.530   17.024 -33.23465 27.60238 
1 1 1   14    5   11 o  131.257   8.1498   40.861   4.8852   42.091   6.3280   39.047   7.6857  133.831   10.117  128.684   12.780 5.146133 16.29961 
1 1 1   14    5   12 o  168.676   9.3144   67.333   7.3208   71.997   10.241   62.459   10.469  174.744   12.540  162.607   13.776 12.13637 18.62888 
1 1 1   14    5   13 o  254.475   13.682  154.831   15.937  154.082   25.161  155.333   20.594  253.387   21.247  255.563   17.243 -2.176132 27.36325 
1 1 1   14    5   14 o  308.267   12.693  226.551   18.287  227.102   25.799  225.996   25.924  308.665   17.885  307.868   18.018 0.7973633 25.38690 
1 1 1   14    5   15 o  227.696   10.852  123.382   11.505  134.812   16.214  111.791   16.328  238.525   14.545  216.867   16.110 21.65860 21.70454 
1 1 1   14    5   16 o   89.614   11.721   19.683   4.7172   20.022   6.9414   19.392   6.4301   90.231   17.086   88.997   16.050 1.233688 23.44238 
1 1 1   14    5   17 o   61.136   13.692   8.5687   4.1954   9.9502   7.2953   7.8861   5.1283   64.966   21.043   57.306   17.522 7.659985 27.38324 
1 1 1   14    5   18 o  175.327   16.207   81.023   10.614   65.282   21.111   86.348   12.279  159.822   29.345  190.832   13.768 -31.00963 32.41450 
1 1 1   14    5   19 o  258.796   13.160  159.513   15.621  167.137   24.809  154.506   20.107  263.286   20.162  254.305   16.918 8.981186 26.31966 
1 1 1   14    5   20 o  174.011   9.2351   71.708   7.5097   71.292   10.537   72.138   10.706  173.510   12.994  174.513   13.126 -1.002625 18.47014 
1 1 1   14    5   21 o  200.290   11.204   95.759   10.232   95.238   16.332   96.096   13.127  199.389   17.527  201.190   13.961 -1.801498 22.40794 
1 1 1   14    5   22 o  265.577   13.250  169.796   16.445  167.873   23.219  171.731   23.295  264.035   18.817  267.118   18.660 -3.082581 26.50007 
1 1 1   14    5   23 o  346.256   13.739  287.449   22.058  272.980   29.134  306.884   33.765  336.645   18.517  355.867   20.302 -19.22156 27.47844 
1 1 1   14    5   24 o  232.681   10.034  127.426   10.825  117.878   14.261  140.405   16.627  222.658   13.705  242.704   14.658 -20.04565 20.06706 
1 1 1   14    5   25 o  342.105   13.648  279.857   21.661  253.982   28.591  314.714   33.185  324.047   18.879  360.164   19.715 -36.11646 27.29654 
1 1 1   14    5   26 o  197.822   9.3387   94.368   8.4460  100.108   11.077   86.397   13.054  205.531   11.532  190.113   14.692 15.41737 18.67731 
1 1 1   14    5   27 o   96.249   9.0116   19.606   3.7907   15.507   4.4907   29.767   7.0698   80.806   11.891  111.692   13.544 -30.88641 18.02330 
1 1 1   14    5   28 o  236.497   16.247  140.036   15.230  140.966   17.517  137.153   30.831  242.062   15.484  230.931   28.567 11.13066 32.49367 
1 1 1   14    5   29 o   62.918   13.192   10.144   3.3966   10.770   3.6351   5.8381   9.5347   66.296   12.181   59.540   23.404 6.756176 26.38413 
1 1 1   14    5   30 o  126.526   13.570   36.563   6.2069   34.706   6.8748   44.751   14.436  120.829   12.174  132.223   24.256 -11.39395 27.13947 
1 1 1   14    5   31 o  129.992   10.784   41.762   6.1514   44.412   7.6551   36.931   10.335  136.668   11.985  123.317   17.932 13.35091 21.56864 
1 1 1   14    5   32 f  230.041   14.012  116.449   13.529  100.962   15.589  163.695   27.229  204.215   16.334  255.868   22.771 -51.65340 28.02345 
1 1 1   14    5   33 o   98.130   17.075   25.345   7.8643   20.076   11.055   30.744   11.190   87.350   25.495  108.910   22.720 -21.56042 34.14975 
1 1 1   14    5   34 f   43.514   13.392  -0.7661   5.1550  -3.6223   7.8222   1.4267   6.8539   41.412   18.761   45.616   19.114 -4.203968 26.78314 
1 1 1   14    5   35 o  162.446   13.333   59.750   9.3923   51.987   11.090   79.443   17.664  146.336   16.216  178.556   21.168 -32.22005 26.66504 
1 1 1   14    5   36 o   93.993   14.796   25.350   6.4590   32.601   8.0283   12.044   10.876  116.245   14.778   71.741   25.639 44.50357 29.59255 
1 1 1   14    5   37 o  103.183   17.201   28.273   8.2498   21.932   11.851   34.236   11.491   90.985   26.352  115.380   22.115 -24.39476 34.40241 
1 1 1   14    5   38 o   86.165   17.994   18.555   7.9339   26.797   12.066   12.276   10.531  100.479   25.617   71.852   25.276 28.62704 35.98778 
1 1 1   14    5   39 o   65.816   15.291   11.074   5.7058   4.0210   10.114   14.367   6.9105   57.029   23.498   74.602   19.575 -17.57322 30.58298 
1 1 1   14    5   40 o  165.228   12.444   67.460   9.5439   58.336   13.395   76.867   13.601  153.298   18.697  177.159   16.427 -23.86176 24.88878 
1 1 1   14    5   41 o  108.492   19.038   32.569   9.6532   27.203   14.667   36.670   12.822   99.153   29.482  117.832   24.096 -18.67935 38.07653 
1 1 1   14    5   42 o  119.136   17.283   38.813   8.6343   34.291   15.840   40.725   10.299  109.863   30.004  128.409   17.161 -18.54541 34.56516 
1 1 1   14    5   43 o   89.519   14.095   21.188   6.0231   12.420   8.6054   29.609   8.4331   69.535   22.873  109.504   16.478 -39.96849 28.19043 
1 1 1   14    5   44 f   88.045   17.478   21.539   7.1413   19.026   13.498   22.515   8.4156   83.416   28.657   92.673   20.016 -9.256874 34.95552 
1 1 1   14    5   45 o   89.091   13.780   21.552   5.9407   31.930   8.2137   10.168   8.6028  113.786   15.446   64.395   22.825 49.39017 27.56006 
1 1 1   14    5   46 o  229.429   25.570  162.808   25.738  208.685   36.908  119.382   35.909  271.696   29.067  187.162   42.076 84.53421 51.13937 
1 1 1   14    5   47 o   66.842   21.308   11.778   7.5029   11.778   7.5029   0.0000   0.0000   66.842   21.308  ?   ?       ?      ? 
1 1 1   14    5   48 o   45.942   14.444  -1.1688   6.2202  -0.9384   8.5435  -1.4286   9.0740   45.585   20.202   46.298   20.651 -0.7134972 28.88872 
1 1 1   14    5   49 o   66.010   17.043   9.0840   6.0434   17.935   12.403   6.3284   6.9205   78.590   27.444   53.431   20.215 25.15961 34.08510 
1 1 1   14    5   50 o  180.024   16.361   85.799   13.220  103.648   22.693   76.629   16.266  190.681   25.465  169.367   20.549 21.31429 32.72259 
1 1 1   14    5   51 o   95.604   16.191   25.825   7.1513   22.923   9.8607   29.046   10.387   89.480   23.337  101.729   22.449 -12.24911 32.38166 
1 1 1   14    5   52 o   65.306   15.704   11.235   5.6524   8.4414   7.1942   15.741   9.1372   57.314   20.805   73.298   23.530 -15.98372 31.40865 
1 1 1   14    5   53 o   78.900   15.419   18.098   5.8431   15.501   7.6870   21.652   8.9926   72.617   21.279   85.182   22.320 -12.56516 30.83764 
1 1 1   14    5   54 o   63.131   16.299   11.184   6.2569   11.488   8.6186   10.847   9.0982   63.677   22.817   62.586   23.281 1.090923 32.59721 
1 1 1   14    5   55 o   45.955   13.779  -0.2406   5.2006  -5.5749   6.4276   9.8714   8.8496   32.832   15.574   59.078   22.736 -26.24601 27.55868 
1 1 1   14    5   56 o   73.121   16.364   17.361   6.4925   22.883   9.3671   12.256   9.0071   84.024   23.125   62.218   23.160 21.80657 32.72840 
1 1 1   14    5   57 o   63.852   15.587   13.467   5.7032   14.640   7.2081   11.504   9.3261   67.943   20.774   59.762   23.245 8.181507 31.17456 
1 1 1   14    5   58 o   44.295   13.613   2.0800   5.4320  -2.1637   7.7037   6.2762   7.6605   38.687   17.925   49.903   20.493 -11.21631 27.22619 
1 1 1   14    5   59 o   52.512   15.888   7.6840   7.1523   2.1322   12.213   10.582   8.8237   48.570   22.528   56.454   22.411 -7.884808 31.77674 
1 1 1   14    6    0 o  134.536   16.879   46.590   13.599   46.590   13.599   46.590   13.599  134.536   23.870  134.536   23.870 -0.000000 0.000000 
1 1 1   14    6    1 o  306.691   20.933  225.530   28.450  243.011   49.379  216.843   34.808  313.468   33.706  299.914   24.833 13.55429 41.86638 
1 1 1   14    6    2 o  280.938   16.427  189.676   21.542  200.411   30.496  178.986   30.435  289.089   22.572  272.787   23.873 16.30219 32.85440 
1 1 1   14    6    3 o   88.014   9.1544   18.981   3.5360   20.694   4.5801   16.454   5.5634   93.841   10.443   82.187   15.038 11.65418 18.30879 
1 1 1   14    6    4 o  258.488   11.037  157.568   13.216  154.119   17.484  162.166   20.186  255.393   14.649  261.584   16.512 -6.191238 22.07301 
1 1 1   14    6    5 o  295.333   14.216  205.800   18.563  201.019   22.713  215.419   32.217  291.179   16.690  299.487   23.018 -8.308136 28.43223 
1 1 1   14    6    6 o  297.626   14.612  211.990   19.110  212.624   23.391  210.716   33.142  299.437   16.715  295.816   23.973 3.620972 29.22431 
1 1 1   14    6    7 o   98.904   7.2541   23.020   3.3139   23.211   4.3761   22.764   5.0743   99.428   9.4174   98.380   11.036 1.047638 14.50818 
1 1 1   14    6    8 o  315.619   12.655  236.844   18.666  237.911   26.383  235.774   26.412  316.346   17.845  314.891   17.947 1.454559 25.30929 
1 1 1   14    6    9 o  377.904   13.960  341.357   24.607  317.211   34.777  365.566   34.822  364.220   20.431  391.588   19.028 -27.36810 27.91903 
1 1 1   14    6   10 o  335.243   13.845  266.871   21.507  257.286   28.405  279.747   32.924  328.617   18.496  341.869   20.607 -13.25256 27.69000 
1 1 1   14    6   11 o  296.221   13.675  209.755   18.900  195.489   26.665  224.157   26.793  285.883   19.958  306.559   18.701 -20.67670 27.35018 
1 1 1   14    6   12 o  168.202   10.519   67.129   8.1069   66.400   12.748   67.623   10.504  167.205   16.314  169.198   13.284 -1.993561 21.03855 
1 1 1   14    6   13 o  194.868   11.384   90.991   10.116   86.466   15.942   94.042   13.089  190.394   17.916  199.342   14.050 -8.947922 22.76802 
1 1 1   14    6   14 o  345.063   19.819  293.254   31.936  280.270   45.126  306.281   45.202  337.014   28.651  353.112   27.391 -16.09805 39.63737 
1 1 1   14    6   15 o  157.671   10.331   58.522   7.4280   61.103   11.998   56.918   9.4587  160.224   16.023  155.117   13.048 5.106918 20.66299 
1 1 1   14    6   16 o  185.684   11.413   82.321   9.8348   94.669   14.064   70.505   13.758  199.567   15.079  171.801   17.135 27.76563 22.82521 
1 1 1   14    6   17 o   63.649   12.951   7.9450   4.0345   16.265   7.2677   4.2390   4.8505   80.684   19.492   46.615   17.058 34.06868 25.90225 
1 1 1   14    6   18 o  149.583   12.951   52.791   7.9323   55.493   15.712   51.867   9.1894  151.203   22.234  147.964   13.289 3.239136 25.90280 
1 1 1   14    6   19 o  238.998   16.579  137.836   16.071  142.261   32.044  136.349   18.577  239.050   28.682  238.945   16.635 0.1050873 33.15701 
1 1 1   14    6   20 o  219.044   12.739  114.944   12.777  115.921   20.215  114.294   16.488  219.252   19.728  218.837   16.122 0.4154663 25.47779 
1 1 1   14    6   21 o  283.246   15.894  200.999   20.208  171.822   31.892  220.572   26.120  263.667   25.881  302.824   18.456 -39.15750 31.78765 
1 1 1   14    6   22 o  251.260   15.324  154.777   17.801  178.929   25.087  130.288   25.262  272.008   19.734  230.513   23.449 41.49449 30.64801 
1 1 1   14    6   23 o  281.016   17.640  196.832   22.807  234.288   32.234  159.281   32.274  309.582   22.279  252.450   27.355 57.13202 35.27940 
1 1 1   14    6   24 o   77.392   13.462   14.915   4.8417   12.861   6.5896   17.324   7.1375   71.662   19.261   83.121   18.812 -11.45891 26.92389 
1 1 1   14    6   25 o  175.898   12.412   74.698   10.186   69.539   14.360   79.922   14.450  169.601   18.117  182.196   16.970 -12.59534 24.82349 
1 1 1   14    6   26 o  163.801   10.974   66.661   7.8796   71.994   9.8484   57.173   13.135  174.082   12.105  153.520   18.308 20.56155 21.94773 
1 1 1   14    6   27 o  230.280   12.714  117.067   11.935  106.075   13.592  154.079   24.940  210.626   13.808  249.934   21.352 -39.30765 25.42736 
1 1 1   14    6   28 o  210.375   12.992  107.873   12.698   93.747   17.766  122.629   18.157  195.782   19.416  224.968   17.269 -29.18655 25.98496 
1 1 1   14    6   29 o  146.219   13.243   51.024   7.3871   50.300   8.3081   53.760   16.142  145.446   12.222  146.991   23.497 -1.545013 26.48577 
1 1 1   14    6   30 o  236.493   14.760  137.586   16.274  126.429   22.921  148.928   23.111  226.365   21.666  246.621   20.051 -20.25636 29.52079 
1 1 1   14    6   31 o  183.410   12.554   81.844   10.760   81.384   15.112   82.316   15.323  182.919   17.678  183.901   17.829 -0.9819794 25.10716 
1 1 1   14    6   32 o  172.609   18.147   72.920   14.639   72.920   14.639   0.0000   0.0000  172.609   18.147  ?   ?       ?      ? 
1 1 1   14    6   33 o   56.865   24.107   2.1470   11.110   2.1470   11.110   0.0000   0.0000   56.865   24.107  ?   ?       ?      ? 
1 1 1   14    6   34 o  102.458   24.668   27.695   11.670   27.695   11.670   0.0000   0.0000  102.458   24.668  ?   ?       ?      ? 
1 1 1   14    6   35 o   52.225   15.991  -1.2159   6.7887  -4.1477   8.2385   4.9864   11.983   42.100   19.143   62.350   25.620 -20.25058 31.98188 
1 1 1   14    6   36 o   79.206   19.223   15.651   8.6327   17.532   11.800   13.485   12.663   82.467   26.767   75.945   27.596 6.522598 38.44526 
1 1 1   14    6   37 o   97.917   16.573   23.708   7.1172   29.526   12.592   20.977   8.6274  105.533   25.757   90.302   20.862 15.23095 33.14636 
1 1 1   14    6   38 o  289.943   21.262  213.274   27.636  267.858   47.901  186.039   33.835  312.912   32.755  266.973   27.118 45.93912 42.52383 
1 1 1   14    6   39 o  140.412   11.643   48.406   7.6269   49.874   10.597   46.827   10.986  142.858   15.872  137.965   17.039 4.893112 23.28560 
1 1 1   14    6   40 o  129.718   19.292   46.609   11.490   33.345   17.057   57.628   15.547  108.548   31.666  150.888   22.047 -42.33967 38.58440 
1 1 1   14    6   41 o  164.061   11.429   65.849   8.5423   65.767   10.943   65.977   13.667  164.773   14.211  163.350   17.903 1.423859 22.85723 
1 1 1   14    6   42 f  250.705   16.715  163.522   19.567  171.508   27.750  155.625   27.593  257.402   23.068  244.007   24.197 13.39568 33.43071 
1 1 1   14    6   43 o  137.841   12.476   47.368   8.0371   47.682   11.356   47.052   11.377  138.339   17.564  137.344   17.724 0.9953308 24.95292 
1 1 1   14    6   44 o   48.498   13.545   3.9305   4.5486   4.7486   6.2354   3.0000   6.6500   49.770   19.102   47.225   19.208 2.544796 27.08922 
1 1 1   14    6   45 o  114.785   15.527   34.855   7.6499   34.968   9.3505   34.628   13.303  118.336   16.907  111.233   26.049 7.102921 31.05483 
1 1 1   14    6   46 o   61.710   12.361   10.619   5.0349   17.541   5.7661 -11.5979   10.330   83.038   15.426   40.382   19.319 42.65505 24.72247 
1 1 1   14    6   47 o   78.931   18.615   16.455   6.7553   16.455   6.7553   0.0000   0.0000   78.931   18.615  ?   ?       ?      ? 
1 1 1   14    6   48 o  156.283   20.744   71.787   14.784   79.660   20.937   63.956   20.880  168.298   26.619  144.268   31.822 24.02971 41.48798 
1 1 1   14    6   49 o   74.572   17.501   15.244   6.4653   16.416   13.452   14.893   7.3726   75.681   28.277   73.463   20.627 2.217606 35.00107 
1 1 1   14    6   50 o  111.517   18.038   38.606   8.9796   28.586   16.104   43.128   10.817   93.894   31.309  129.141   17.923 -35.24693 36.07603 
1 1 1   14    6   51 o  121.282   14.420   39.601   7.9534   45.519   11.664   34.458   10.874  131.322   19.004  111.243   21.694 20.07863 28.84095 
1 1 1   14    6   52 o   42.254   13.409  -0.9410   5.4796  -2.9046   8.5777   0.4128   7.1223   42.013   19.266   42.496   18.654 -0.4831696 26.81713 
1 1 1   14    6   53 f   34.483   11.365  -4.1085   4.4751  -3.3724   6.4852  -4.7776   6.1831   35.727   16.516   33.239   15.616 2.488140 22.72999 
1 1 1   14    6   54 o   69.883   15.071   14.477   5.4810   16.779   7.2864   11.476   8.3184   76.451   20.120   63.315   22.444 13.13588 30.14229 
1 1 1   14    6   55 o   50.098   14.277   4.1986   5.2711  -0.3346   6.7818   11.116   8.3773   39.542   17.729   60.653   22.383 -21.11138 28.55406 
1 1 1   14    6   56 o   41.060   13.082  -0.1391   5.3175  -2.6351   8.2859   1.6087   6.9337   39.956   18.541   42.164   18.460 -2.208511 26.16317 
1 1 1   14    6   57 o   41.822   13.254   0.0487   5.5797   4.0209   7.3262  -5.4379   8.6102   45.950   19.532   37.694   17.922 8.255867 26.50883 
1 1 1   14    6   58 o   43.899   13.632  -2.0705   5.8386 -10.9923   7.7106   9.9202   8.9389   31.356   15.383   56.442   22.510 -25.08656 27.26387 
1 1 1   14    6   59 o   38.775   13.455  -9.3355   7.1346  -2.3021   13.122 -12.2872   8.5009   45.634   21.816   31.915   15.753 13.71883 26.90916 
1 1 1   14    7    0 o   75.221   11.589   15.030   5.0481   15.030   5.0481   15.030   5.0481   75.221   16.390   75.221   16.390 -0.000000 0.000000 
1 1 1   14    7    1 o  252.228   18.375  153.891   20.423  153.567   25.050  154.534   35.268  253.322   21.159  251.133   30.049 2.189026 36.75096 
1 1 1   14    7    2 o  251.521   14.928  151.486   17.530  143.795   24.799  159.167   24.783  244.981   21.660  258.062   20.549 -13.08174 29.85663 
1 1 1   14    7    3 o  259.439   11.684  159.770   14.142  148.877   19.977  170.712   20.022  250.439   17.068  268.439   15.959 -17.99968 23.36737 
1 1 1   14    7    4 o  326.360   16.664  252.682   25.047  235.566   32.346  278.316   39.585  313.346   22.088  339.374   24.958 -26.02869 33.32811 
1 1 1   14    7    5 o  208.363   10.473  102.762   10.186  108.535   14.409   96.994   14.402  214.289   14.388  202.438   15.223 11.85091 20.94615 
1 1 1   14    7    6 o  430.742   17.355  443.930   34.690  413.737   45.879  484.235   53.008  414.286   23.696  447.198   25.363 -32.91122 34.70952 
1 1 1   14    7    7 o  407.672   15.871  395.717   30.022  369.095   39.697  431.292   45.889  392.201   21.657  423.143   23.205 -30.94168 31.74118 
1 1 1   14    7    8 o  376.208   16.852  341.790   29.625  334.901   41.907  348.673   41.885  372.288   24.086  380.128   23.577 -7.839508 33.70445 
1 1 1   14    7    9 o  253.562   13.147  151.305   15.326  142.533   19.734  164.637   24.329  244.787   17.250  262.336   19.844 -17.54991 26.29330 
1 1 1   14    7   10 o  263.677   13.943  165.848   16.832  163.629   21.672  169.221   26.722  262.071   17.694  265.284   21.553 -3.212646 27.88616 
1 1 1   14    7   11 o  367.373   17.291  319.258   29.267  278.491   37.728  380.868   46.381  339.033   23.811  395.714   25.079 -56.68085 34.58203 
1 1 1   14    7   12 o  320.723   18.847  252.401   28.170  273.158   39.813  231.592   39.863  334.598   25.460  306.849   27.797 27.74979 37.69478 
1 1 1   14    7   13 o  282.229   16.161  193.788   21.183  217.894   29.958  169.686   29.956  300.503   21.331  263.955   24.283 36.54825 32.32199 
1 1 1   14    7   14 o  337.568   19.461  281.908   30.581  254.137   43.178  309.860   43.319  319.939   28.877  355.197   26.096 -35.25858 38.92134 
1 1 1   14    7   15 f  146.179   11.335   50.978   7.7348   52.672   10.814   49.203   11.068  148.751   15.555  143.606   16.491 5.145477 22.66967 
1 1 1   14    7   16 o  187.316   14.675   82.167   12.215   76.796   14.903   93.162   21.323  179.079   17.807  195.552   23.331 -16.47318 29.34989 
1 1 1   14    7   17 o  103.581   16.332   26.949   7.7013   24.474   10.555   29.767   11.262   98.386   23.313  108.776   22.878 -10.39028 32.66323 
1 1 1   14    7   18 o   53.149   13.844   3.8381   5.2046   10.202   6.8827  -4.6613   7.9539   65.116   20.364   41.183   18.758 23.93328 27.68738 
1 1 1   14    7   19 o  115.590   13.819   32.630   7.0422   32.961   11.511   32.432   8.9025  114.659   22.285  116.520   16.348 -1.861656 27.63830 
1 1 1   14    7   20 o  203.050   13.164   99.503   12.445  108.829   17.559   90.088   17.642  212.939   17.644  193.162   19.542 19.77716 26.32880 
1 1 1   14    7   21 o  152.543   11.821   55.943   8.3936   60.390   11.730   51.277   12.016  158.981   15.787  146.106   17.597 12.87425 23.64101 
1 1 1   14    7   22 o  120.953   11.434   35.294   6.3954   40.611   8.9805   29.823   9.1099  130.516   14.723  111.390   17.499 19.12646 22.86900 
1 1 1   14    7   23 o  299.568   17.096  229.273   22.819  189.169   36.065  256.046   29.467  274.063   28.157  325.073   19.396 -51.00955 34.19114 
1 1 1   14    7   24 o  235.184   18.124  139.880   16.884  134.415   34.004  141.669   19.451  227.887   31.927  242.481   17.164 -14.59399 36.24877 
1 1 1   14    7   25 f  246.356   16.170  140.999   16.374  170.717   33.156  131.414   18.830  259.491   27.340  233.221   17.276 26.26926 32.34090 
1 1 1   14    7   26 o  116.735   16.521   42.058   8.3996   15.644   14.650   54.993   10.252   81.981   29.699  151.490   14.480 -69.50932 33.04139 
1 1 1   14    7   27 o   59.919   13.131   8.4782   4.2724   4.5480   6.0668   12.345   6.0177   49.866   18.912   69.972   18.222 -20.10624 26.26217 
1 1 1   14    7   28 o   55.814   12.970   6.9606   4.1500   10.598   5.7717   3.0674   5.9715   65.112   18.239   46.517   18.446 18.59417 25.94089 
1 1 1   14    7   29 o  121.112   7.2204   31.971   3.9227   23.993   4.8332   47.370   6.7150  100.705   10.269  141.519   10.153 -40.81464 14.44082 
1 1 1   14    7   30 o   68.674   13.981   11.937   4.8820   8.0646   7.1892   15.250   6.6506   59.745   20.892   77.603   18.583 -17.85744 27.96111 
1 1 1   14    7   31 o  130.774   14.868   41.610   8.1121   46.579   15.041   39.572   9.6334  133.742   24.982  127.807   16.128 5.935501 29.73566 
1 1 1   14    7   32 o   56.827   15.570   2.6872   5.3541   12.982   10.933  -0.5606   6.1409   73.423   25.759   40.232   17.498 33.19118 31.14011 
1 1 1   14    7   34 o   64.348   21.391   10.020   7.5192   0.0000   0.0000   10.020   7.5192  ?   ?    64.348   21.391      ?      ? 
1 1 1   14    7   35 o  119.272   18.179   34.876   10.133   0.0000   0.0000   34.876   10.133  ?   ?   119.272   18.179      ?      ? 
1 1 1   14    7   36 o  107.260   17.649   32.122   8.3529   23.171   15.437   35.828   9.9326   93.377   30.631  121.142   17.544 -27.76463 35.29895 
1 1 1   14    7   37 o   65.929   14.680   10.352   5.4932   16.135   7.5584   3.8783   7.9972   79.186   20.322   52.672   21.191 26.51397 29.36087 
1 1 1   14    7   38 o  137.013   13.639   47.562   8.3455   58.381   11.909   37.123   11.698  154.353   16.509  119.673   21.715 34.67990 27.27857 
1 1 1   14    7   39 o  106.744   13.771   28.786   6.5661   17.380   8.8722   42.599   9.7634   81.326   22.555  132.161   15.807 -50.83508 27.54222 
1 1 1   14    7   40 o  117.339   13.978   35.494   7.2389   24.183   10.165   47.131   10.311   95.679   23.014  138.999   15.873 -43.31935 27.95697 
1 1 1   14    7   41 o   52.820   15.620   2.7107   6.4871  -3.3475   11.300   5.6888   7.9228   50.418   22.722   55.223   21.440 -4.804527 31.23987 
1 1 1   14    7   42 o  172.056   13.558   75.276   10.744   63.146   15.456   86.620   14.947  157.244   21.032  186.868   17.114 -29.62460 27.11508 
1 1 1   14    7   43 o  109.898   17.520   33.879   8.2592   29.063   15.454   35.804   9.7719   99.976   30.385  119.821   17.450 -19.84573 35.03976 
1 1 1   14    7   44 o  161.933   22.267   78.895   16.238   52.596   23.611  102.499   22.369  127.590   37.265  196.276   24.385 -68.68589 44.53487 
1 1 1   14    7   45 o   61.823   15.059   8.7669   4.7406   7.8081   5.4734   11.646   9.4841   55.902   18.234   67.745   23.971 -11.84324 30.11799 
1 1 1   14    7   46 o  150.979   13.957   58.467   8.5977   58.296   10.024   58.941   16.721  154.082   13.921  147.876   24.195 6.205475 27.91403 
1 1 1   14    7   47 o   81.442   15.112   20.091   5.9280   23.452   6.7729   9.0853   12.257   97.254   14.901   65.631   26.294 31.62295 30.22336 
1 1 1   14    7   48 o   42.427   12.855   0.8692   4.5930   3.3112   5.5621  -4.3656   8.1435   44.544   17.759   40.311   18.590 4.233177 25.70932 
1 1 1   14    7   49 o   58.935   17.027   5.9564   7.1040   10.849   12.196   3.4437   8.7399   66.616   26.379   51.254   21.536 15.36177 34.05328 
1 1 1   14    7   50 o   70.860   16.962   13.762   6.7448   10.613   9.1769   17.462   9.9467   63.982   23.456   77.737   24.508 -13.75433 33.92350 
1 1 1   14    7   51 o   82.405   15.875   20.525   6.6534   26.211   8.7289   12.642   10.278   97.531   19.826   67.279   24.799 30.25216 31.75018 
1 1 1   14    7   52 o   39.604   12.440  -2.9309   4.9260   4.1731   7.1856  -9.2293   6.7660   48.208   19.828   31.000   15.030 17.20759 24.88051 
1 1 1   14    7   53 o   38.885   11.847  -3.9105   4.7347 -15.9901   7.1096   5.7161   6.3468   27.720   13.806   50.049   19.256 -22.32874 23.69420 
1 1 1   14    7   54 o   41.238   19.907 -10.9542   11.548 -10.9542   11.548   0.0000   0.0000   41.238   19.907  ?   ?       ?      ? 
1 1 1   14    7   55 o   39.459   12.484   0.2005   4.5322   1.0349   5.4824  -1.6007   8.0549   38.167   16.566   40.751   18.681 -2.584660 24.96851 
1 1 1   14    7   56 o   54.063   13.068   8.4629   4.8809   13.641   5.8617  -3.2448   8.8141   67.882   18.133   40.243   18.823 27.63917 26.13614 
1 1 1   14    7   57 o   63.081   14.144   13.422   5.2335   17.014   6.3070   5.4795   9.3781   75.776   18.064   50.386   21.768 25.38990 28.28752 
1 1 1   14    7   58 o   54.652   14.731   8.0417   5.3606   3.3753   6.9301   14.993   8.4583   43.760   18.808   65.543   22.676 -21.78270 29.46106 
1 1 1   14    7   59 o   68.544   21.971   16.756   7.9687   16.756   7.9687   0.0000   0.0000   68.544   21.971  ?   ?       ?      ? 
1 1 1   14    8    0 o  102.386   8.3558   25.553   5.4585   25.553   5.4585   25.553   5.4585  102.386   11.817  102.386   11.817 -0.000000 0.000000 
1 1 1   14    8    1 o  287.997   14.739  198.857   19.402  198.038   30.759  199.398   25.004  286.749   22.953  289.246   18.497 -2.496826 29.47805 
1 1 1   14    8    2 o  265.824   13.468  169.534   16.346  164.148   25.804  173.143   21.124  261.650   21.102  269.998   16.741 -8.347992 26.93621 
1 1 1   14    8    3 o  340.796   17.268  279.872   26.989  286.619   42.644  275.363   34.859  343.133   26.592  338.459   22.038 4.673615 34.53676 
1 1 1   14    8    4 o  199.212   11.676   96.088   10.528   85.874   16.597  102.965   13.618  189.725   18.718  208.700   13.962 -18.97542 23.35131 
1 1 1   14    8    5 o  301.608   15.661  221.251   21.472  207.640   33.956  230.320   27.717  292.678   24.825  310.537   19.098 -17.85867 31.32106 
1 1 1   14    8    6 o  146.876   9.5333   52.085   6.0797   47.859   10.571   54.174   7.4319  142.003   15.928  151.748   10.479 -9.744308 19.06650 
1 1 1   14    8    7 o   49.036   11.263   5.5613   2.9618   4.6227   4.5596   6.2464   3.8956   47.067   16.624   51.005   15.201 -3.938000 22.52609 
1 1 1   14    8    8 o  141.197   9.6518   46.467   6.3038   51.900   9.8047   42.638   8.2303  148.065   14.169  134.330   13.110 13.73550 19.30363 
1 1 1   14    8    9 o  144.915   9.6783   50.399   6.4026   45.973   9.9328   53.545   8.3745  139.173   15.271  150.657   11.894 -11.48431 19.35658 
1 1 1   14    8   10 f  282.545   14.964  190.889   19.425  200.659   30.701  184.367   25.085  287.823   22.824  277.266   19.359 10.55667 29.92793 
1 1 1   14    8   11 o  167.966   10.174   65.739   7.8843   74.270   12.412   59.969   10.208  176.827   15.020  159.106   13.728 17.72067 20.34855 
1 1 1   14    8   12 o  341.013   19.599  287.563   31.226  280.508   44.207  294.589   44.115  336.575   28.104  345.451   27.325 -8.875977 39.19776 
1 1 1   14    8   13 o  273.657   16.416  182.512   20.958  193.977   29.578  170.953   29.699  282.681   22.389  264.632   24.014 18.04892 32.83159 
1 1 1   14    8   14 o  200.386   11.867   98.795   10.682   83.147   16.783  109.451   13.850  185.941   19.313  214.831   13.794 -28.88986 23.73378 
1 1 1   14    8   15 o  204.965   11.795  100.731   11.061   98.168   17.388  102.473   14.335  202.293   18.392  207.637   14.773 -5.343613 23.58997 
1 1 1   14    8   16 o  178.352   12.270   76.191   10.216   72.868   14.544   79.426   14.352  174.390   17.845  182.314   16.844 -7.923813 24.53929 
1 1 1   14    8   17 o  125.486   13.860   38.527   7.4138   38.337   12.891   38.621   9.0626  123.618   23.164  127.354   15.226 -3.736290 27.72040 
1 1 1   14    8   18 o  102.667   13.359   24.649   5.9402   31.650   10.258   21.116   7.2862  112.897   20.182   92.437   17.507 20.46043 26.71721 
1 1 1   14    8   19 o  196.181   14.628   93.512   11.626   92.913   23.018   93.718   13.470  193.942   25.395  198.420   14.526 -4.477768 29.25566 
1 1 1   14    8   20 o  387.059   19.977  372.460   35.510  392.803   56.157  358.907   45.837  393.584   30.530  380.533   25.774 13.05173 39.95451 
1 1 1   14    8   21 f  148.959   10.160   51.344   6.9640   62.304   11.090   44.208   8.9486  161.643   14.680  136.275   14.051 25.36810 20.32022 
1 1 1   14    8   22 f  166.564   11.067   66.617   8.4032   65.477   13.374   67.361   10.802  164.926   17.351  168.202   13.741 -3.275696 22.13310 
1 1 1   14    8   23 o  133.725   16.001   49.362   7.8366   36.599   16.066   53.347   8.9770  117.672   29.321  149.778   12.825 -32.10640 32.00253 
1 1 1   14    8   24 o  320.269   23.904  270.898   30.370  269.284   60.876  271.433   35.042  309.353   42.106  331.185   22.640 -21.83191 47.80719 
1 1 1   14    8   25 o  139.959   15.720   49.732   9.1765   47.550   16.329   50.740   11.094  134.925   26.841  144.993   16.372 -10.06778 31.43962 
1 1 1   14    8   26 o  179.101   12.799   78.343   10.643   68.919   15.132   87.571   14.973  167.921   19.282  190.280   16.838 -22.35919 25.59853 
1 1 1   14    8   27 o  103.057   12.287   26.056   5.7869   25.640   8.3570   26.439   8.0211  101.383   18.311  104.729   16.388 -3.346024 24.57384 
1 1 1   14    8   28 o   94.983   16.508   21.117   6.5375   28.329   13.124   18.737   7.5397  103.851   26.844   86.114   19.221 17.73724 33.01577 
1 1 1   14    8   29 o   97.364   12.517   23.367   5.5673   25.764   8.0113   21.128   7.7422  103.186   16.613   91.543   18.728 11.64348 25.03444 
1 1 1   14    8   30 o  138.052   14.108   43.292   8.5911   59.072   15.622   36.452   10.286  153.968   21.711  122.136   18.020 31.83199 28.21503 
1 1 1   14    8   31 o  114.770   17.319   39.793   8.5448   20.559   15.804   47.738   10.157   89.130   30.987  140.410   15.479 -51.28049 34.63835 
1 1 1   14    8   32 o  274.442   21.660  199.131   25.982  205.447   45.375  196.050   31.692  271.469   35.764  277.415   24.445 -5.945923 43.31997 
1 1 1   14    8   33 o  108.603   25.894   31.330   12.957   0.0000   0.0000   31.330   12.957  ?   ?   108.603   25.894      ?      ? 
1 1 1   14    8   34 o   76.054   13.984   14.903   5.0264   16.155   6.8335   13.426   7.4194   79.616   18.686   72.493   20.809 7.123108 27.96750 
1 1 1   14    8   35 o   84.329   14.718   20.858   5.6793   24.617   6.5095   8.8769   11.622  101.246   13.757   67.413   26.024 33.83267 29.43638 
1 1 1   14    8   36 o  143.378   12.410   45.327   7.3178   40.494   8.3588   61.185   15.141  129.826   13.777  156.930   20.645 -27.10342 24.81940 
1 1 1   14    8   37 o   93.143   16.667   22.784   7.0433   22.300   8.7615   23.667   11.842   92.678   20.746   93.608   26.092 -0.9298019 33.33423 
1 1 1   14    8   38 o   62.612   12.371   7.3095   5.6050   20.293   7.0891 -14.3413   9.1545   89.397   17.594   35.826   17.396 53.57119 24.74203 
1 1 1   14    8   39 o  163.368   15.433   66.687   11.239   64.873   13.898   70.115   19.103  162.001   18.357  164.736   24.813 -2.735382 30.86529 
1 1 1   14    8   40 o  147.742   14.788   52.630   9.8776   45.432   12.227   66.155   16.760  134.676   19.425  160.809   22.301 -26.13202 29.57513 
1 1 1   14    8   41 o  138.232   16.891   53.030   9.8949   59.764   12.467   41.568   16.266  155.255   17.182  121.207   29.085 34.04809 33.78144 
1 1 1   14    8   42 o   79.972   12.770   7.7350   5.3050  -1.5500   6.0782   37.423   10.869   38.136   16.963  121.808   19.092 -83.67215 25.53949 
1 1 1   14    8   43 o   69.235   16.371   5.5579   7.9201   25.911   11.939 -10.4382   10.584   96.353   25.938   42.118   19.981 54.23528 32.74183 
1 1 1   14    8   44 o   97.972   29.227   28.067   14.396   28.067   14.396   0.0000   0.0000   97.972   29.227  ?   ?       ?      ? 
1 1 1   14    8   45 o   49.783   20.976   2.3811   8.3287   2.3811   8.3287   0.0000   0.0000   49.783   20.976  ?   ?       ?      ? 
1 1 1   14    8   46 o   40.952   13.568  -7.4537   6.4565  -9.9056   8.5892  -4.2682   9.7900   36.847   17.625   45.057   20.633 -8.210445 27.13597 
1 1 1   14    8   47 o   50.275   13.730  -1.6312   5.6004 -12.5446   7.4009   12.991   8.5667   31.237   15.271   69.314   22.822 -38.07691 27.46033 
1 1 1   14    8   48 o  132.529   19.515   51.340   11.552   60.124   18.172   45.383   14.964  141.088   28.540  123.971   26.623 17.11672 39.02933 
1 1 1   14    8   49 o   36.637   12.781 -17.1250   6.4637  -7.5177   11.733 -21.3112   7.7449   45.992   21.577   27.282   13.707 18.71026 25.56247 
1 1 1   14    8   50 o   92.411   16.506   23.803   7.5621   13.201   10.050   37.642   11.481   68.758   24.638  116.064   21.971 -47.30633 33.01183 
1 1 1   14    8   51 o   73.669   15.922   16.115   5.9920   16.782   8.0229   15.274   9.0108   75.810   21.599   71.527   23.399 4.282913 31.84392 
1 1 1   14    8   52 o   96.226   15.800   27.787   6.9184   29.847   8.9782   24.774   10.855  103.547   19.262   88.906   25.052 14.64075 31.60077 
1 1 1   14    8   53 o   59.341   15.319   9.6291   5.5366   10.334   7.7523   8.8956   7.9100   60.783   21.654   57.898   21.674 2.885479 30.63747 
1 1 1   14    8   54 o   64.252   15.527   12.845   6.0223   17.323   7.9731   6.8951   9.1896   74.702   21.609   53.801   22.303 20.90104 31.05427 
1 1 1   14    8   55 o   63.265   15.064   12.509   5.9009   18.393   7.8443   4.8380   8.9558   76.626   21.192   49.904   21.413 26.72179 30.12716 
1 1 1   14    8   56 o   42.703   12.995  -0.0228   4.9602  -5.9089   6.5020   8.1715   7.6717   32.054   15.333   53.351   20.986 -21.29760 25.99074 
1 1 1   14    8   57 o   56.315   15.109   9.8656   5.4827   10.304   7.5780   9.3845   7.9422   57.220   21.254   55.410   21.479 1.809246 30.21724 
1 1 1   14    8   58 o   45.750   14.399   3.5218   6.2047   2.2512   9.4777   4.4747   8.2081   45.175   20.538   46.325   20.188 -1.150093 28.79879 
1 1 1   14    9    0 o  124.811   7.7092   37.365   6.2478   37.365   6.2478   37.365   6.2478  124.811   10.902  124.811   10.902 -0.000000 0.000000 
1 1 1   14    9    1 o  237.424   11.909  131.839   13.020  147.599   20.637  121.420   16.781  248.764   17.751  226.084   15.882 22.67992 23.81846 
1 1 1   14    9    2 o  229.458   12.815  125.882   13.438  124.801   21.295  126.596   17.322  228.115   19.975  230.801   16.059 -2.685669 25.62983 
1 1 1   14    9    3 o  169.164   8.9184   67.615   7.0393   62.826   9.9036   72.504   10.007  163.053   12.996  175.276   12.217 -12.22314 17.83678 
1 1 1   14    9    4 o  217.990   11.061  112.960   11.254  106.403   15.899  119.545   15.933  211.544   16.082  224.436   15.190 -12.89209 22.12118 
1 1 1   14    9    5 o  341.546   14.624  280.726   23.328  269.542   32.974  291.934   33.009  334.537   21.090  348.555   20.264 -14.01752 29.24743 
1 1 1   14    9    6 o   73.195   9.1993   13.557   2.9539   16.619   3.9335   9.5973   4.4733   84.036   10.015   62.353   15.434 21.68378 18.39860 
1 1 1   14    9    7 f  198.181   11.180   92.523   10.157   88.924   13.038   98.077   16.200  193.627   14.408  202.736   17.097 -9.109238 22.35903 
1 1 1   14    9    8 o  289.860   14.612  199.749   19.484  187.591   25.114  218.132   30.881  279.532   19.224  300.187   22.012 -20.65469 29.22454 
1 1 1   14    9    9 o  415.259   22.380  437.070   42.237  451.267   54.497  415.717   66.837  427.549   27.274  402.969   35.490 24.58090 44.75912 
1 1 1   14    9   10 o  164.267   10.109   62.906   7.6226   58.368   9.7583   70.009   12.209  156.975   13.301  171.559   15.227 -14.58379 20.21863 
1 1 1   14    9   11 o   88.777   12.593   19.864   4.9304   21.647   6.2279   16.870   8.0698   95.526   13.950   82.028   20.970 13.49788 25.18605 
1 1 1   14    9   12 o  226.105   17.736  127.437   17.383  131.494   21.224  119.170   30.298  233.789   19.425  218.421   29.681 15.36835 35.47256 
1 1 1   14    9   13 f  238.182   14.388  137.073   15.982  146.923   22.591  127.203   22.614  247.044   19.567  229.321   21.101 17.72311 28.77669 
1 1 1   14    9   14 o  170.694   11.484   69.540   9.1527   65.841   12.892   73.299   12.996  166.034   16.614  175.354   15.859 -9.319931 22.96786 
1 1 1   14    9   15 o  174.708   12.003   73.007   9.7959   76.143   13.940   69.948   13.768  178.476   16.713  170.940   17.234 7.535645 24.00698 
1 1 1   14    9   16 f   56.555   12.385   7.3987   3.9459   2.3866   5.8918   11.475   5.3135   45.161   18.182   67.948   16.822 -22.78701 24.77033 
1 1 1   14    9   17 o  154.309   13.597   56.781   9.3019   59.614   16.050   55.349   11.414  156.433   21.954  152.185   16.048 4.248032 27.19422 
1 1 1   14    9   18 o  150.968   16.542   63.075   9.9307   40.891   17.035   74.494   12.222  125.136   29.594  176.801   14.792 -51.66440 33.08459 
1 1 1   14    9   19 o  115.170   13.525   31.530   6.8526   36.141   11.600   29.059   8.4927  120.219   21.433  110.121   16.502 10.09759 27.04950 
1 1 1   14    9   20 o  245.768   15.299  147.606   17.571  146.275   24.908  148.925   24.792  244.588   21.790  246.947   21.481 -2.359375 30.59818 
1 1 1   14    9   21 f  146.404   13.317   47.335   8.5465   66.031   15.798   39.598   10.162  164.532   20.545  128.276   16.951 36.25594 26.63491 
1 1 1   14    9   22 o  135.657   16.551   49.417   8.9875   39.146   16.482   53.763   10.722  121.565   29.344  149.748   15.320 -28.18286 33.10282 
1 1 1   14    9   23 o  166.058   17.716   69.273   13.704   68.297   20.097   70.121   18.736  164.453   26.148  167.663   23.911 -3.209579 35.43230 
1 1 1   14    9   24 o  232.752   21.915  141.678   23.830  141.512   34.138  141.836   33.278  232.250   31.452  233.255   30.527 -1.005157 43.83071 
1 1 1   14    9   25 f  196.447   15.980   93.470   14.025   88.073   17.260  103.958   24.064  189.798   19.459  203.096   25.352 -13.29749 31.95906 
1 1 1   14    9   26 o   82.038   15.061   16.477   5.7526   13.459   7.3605   21.213   9.2211   73.034   20.646   91.042   21.932 -18.00806 30.12121 
1 1 1   14    9   27 f   92.895   14.084   20.613   6.0722   13.803   7.9100   30.386   9.4752   73.938   21.562  111.851   18.126 -37.91267 28.16878 
1 1 1   14    9   28 o  133.230   18.449   47.156   11.090   36.171   16.441   56.327   15.022  115.615   30.124  150.844   21.308 -35.22953 36.89866 
1 1 1   14    9   29 o  202.685   16.238   99.007   14.458  115.961   25.932   91.360   17.416  212.703   26.087  192.667   19.342 20.03554 32.47526 
1 1 1   14    9   30 o  166.526   15.506   68.001   11.237   73.852   20.181   65.371   13.529  169.637   25.455  163.415   17.714 6.222046 31.01205 
1 1 1   14    9   31 o   98.851   16.157   23.013   6.6646   31.869   13.036   19.879   7.7546  109.461   25.889   88.241   19.338 21.21972 32.31385 
1 1 1   14    9   32 o  154.522   8.5844   57.200   6.0148   57.830   7.6621   56.190   9.7094  156.047   10.506  152.997   13.579 3.049622 17.16878 
1 1 1   14    9   33 o  122.628   9.9456   36.783   5.5878   40.588   7.4814   31.983   8.4033  130.338   12.282  114.918   15.647 15.41971 19.89128 
1 1 1   14    9   34 o  133.733   17.443   46.052   10.667   42.243   14.851   50.112   15.331  126.514   25.987  140.952   23.273 -14.43855 34.88515 
1 1 1   14    9   35 o  177.802   18.163   85.392   13.322   92.885   16.391   70.810   22.867  194.770   18.007  160.835   31.549 33.93495 36.32652 
1 1 1   14    9   36 o  109.263   15.946   29.311   7.6495   23.637   9.4894   39.841   12.927   95.099   21.815  123.426   23.263 -28.32717 31.89138 
1 1 1   14    9   37 o  187.017   14.187   86.536   11.595   84.469   14.060   90.928   20.499  185.780   16.194  188.254   23.300 -2.474030 28.37470 
1 1 1   14    9   38 o  125.328   12.220   35.033   6.1263   32.022   6.9247   45.878   13.142  115.449   12.834  135.207   20.798 -19.75847 24.43957 
1 1 1   14    9   39 f  172.297   18.450   85.637   12.827  101.842   16.101   57.492   21.219  203.378   16.940  141.216   32.782 62.16217 36.90046 
1 1 1   14    9   40 o  149.259   15.957   56.057   10.775   51.979   13.457   63.340   17.984  143.349   20.087  155.170   24.799 -11.82152 31.91426 
1 1 1   14    9   41 o  173.168   14.316   71.861   10.994   63.073   13.286   90.952   19.581  158.895   17.891  187.441   22.353 -28.54591 28.63124 
1 1 1   14    9   42 o   54.953   15.067   4.0299   4.4537   2.4540   4.9149   11.266   10.531   41.562   16.651   68.344   25.116 -26.78242 30.13433 
1 1 1   14    9   43 o   58.390   18.615   8.6247   5.7260   8.6247   5.7260   0.0000   0.0000   58.390   18.615  ?   ?       ?      ? 
1 1 1   14    9   44 o   67.139   22.612   11.714   8.4002   11.714   8.4002   0.0000   0.0000   67.139   22.612  ?   ?       ?      ? 
1 1 1   14    9   45 o   76.535   14.323   18.108   5.6370   22.345   6.3924   3.2917   11.954   95.203   14.367   57.866   24.782 37.33687 28.64560 
1 1 1   14    9   46 o   67.537   16.442   10.844   5.4702   9.7432   6.1842   14.804   11.728   61.145   19.329   73.929   26.603 -12.78405 32.88346 
1 1 1   14    9   47 o   76.877   18.364   16.985   7.7119   16.723   9.8051   17.412   12.488   76.441   24.358   77.312   27.490 -0.8710861 36.72860 
1 1 1   14    9   48 o   45.658   13.779   2.0782   4.8494   3.3005   5.6226  -1.4716   9.5819   44.513   17.818   46.803   21.023 -2.289986 27.55823 
1 1 1   14    9   49 o   69.927   16.422   11.604   6.4014   5.7619   8.0156   21.890   10.636   53.660   21.342   86.194   24.965 -32.53439 32.84399 
1 1 1   14    9   50 o   53.434   13.627   6.1131   5.3810   12.400   6.4302  -8.5775   9.8294   66.724   19.436   40.143   19.105 26.58090 27.25338 
1 1 1   14    9   51 o   64.000   16.339   11.953   6.3473   13.740   8.1563   9.2097   10.107   68.090   22.262   59.911   23.922 8.179165 32.67757 
1 1 1   14    9   52 o   55.601   14.426   8.0521   4.8178   8.8931   5.8226   6.2260   8.5794   57.187   18.815   54.014   21.872 3.173279 28.85114 
1 1 1   14    9   53 o   64.740   13.980   12.941   4.8423   15.449   5.9233   7.8891   8.4078   74.201   17.385   55.280   21.898 18.92173 27.96021 
1 1 1   14    9   54 o   61.366   22.366   11.730   8.3269   0.0000   0.0000   11.730   8.3269  ?   ?    61.366   22.366      ?      ? 
1 1 1   14    9   55 o   46.296   14.036   3.7606   5.4544   4.9699   7.2284   2.1616   8.3120   47.541   19.750   45.051   19.948 2.490135 28.07105 
1 1 1   14    9   56 o   40.027   12.497   1.2713   4.4392   1.9137   5.4464  -0.0000   7.6620   39.048   16.726   41.006   18.573 -1.957516 24.99439 
1 1 1   14    9   57 o   49.979   13.586   6.5039   5.1580   11.679   6.5105  -2.2203   8.4532   60.317   19.897   39.641   18.505 20.67633 27.17271 
1 1 1   14    9   58 o   35.851   16.326  -0.4511   6.0199  -0.4511   6.0199   0.0000   0.0000   35.851   16.326  ?   ?       ?      ? 
1 1 1   14   10    0 o  139.261   8.3587   46.521   7.5660   46.521   7.5660   46.521   7.5660  139.261   11.821  139.261   11.821 -0.000000 0.000000 
1 1 1   14   10    1 o  262.694   13.758  166.094   16.508  164.651   26.182  167.046   21.269  260.953   21.469  264.435   17.210 -3.482147 27.51525 
1 1 1   14   10    2 o  204.974   11.560  101.548   10.740   93.926   17.054  106.557   13.826  197.960   18.434  211.988   13.955 -14.02759 23.12044 
1 1 1   14   10    3 o   46.858   9.5494   5.2456   2.2167   6.3276   3.2604   4.3156   3.0227   50.795   13.502   42.921   13.507 7.873981 19.09876 
1 1 1   14   10    4 o  224.855   10.966  120.433   11.504  112.025   16.235  128.911   16.303  216.829   16.021  232.881   14.979 -16.05168 21.93269 
1 1 1   14   10    5 o  242.302   10.315  139.462   11.679  141.832   16.501  137.082   16.533  244.403   14.447  240.201   14.728 4.202698 20.63052 
1 1 1   14   10    6 o  233.404   10.955  129.748   11.938  136.198   16.890  123.309   16.877  239.310   15.102  227.498   15.873 11.81189 21.90950 
1 1 1   14   10    7 f  279.460   21.734  207.742   23.386  219.496   26.991  172.339   46.840  302.203   19.110  256.718   39.041 45.48511 43.46719 
1 1 1   14   10    8 o  186.731   11.120   83.506   9.4375   85.100   12.093   81.024   15.094  189.458   13.658  184.004   17.552 5.453369 22.23974 
1 1 1   14   10    9 o  137.178   9.1440   43.028   5.7530   36.770   7.3279   53.082   9.2880  124.670   12.577  149.686   13.277 -25.01608 18.28810 
1 1 1   14   10   10 o  175.924   10.605   73.423   8.5211   72.740   10.929   74.483   13.608  175.203   13.347  176.646   16.484 -1.442444 21.20995 
1 1 1   14   10   11 o  274.626   16.678  184.814   21.256  208.684   30.040  160.878   30.082  293.258   21.919  255.994   25.144 37.26331 33.35610 
1 1 1   14   10   12 f  324.165   26.320  259.438   39.874  259.438   39.874   0.0000   0.0000  324.165   26.320  ?   ?       ?      ? 
1 1 1   14   10   13 f  214.258   13.358  110.538   13.367  114.424   18.859  106.615   18.949  218.173   18.496  210.343   19.276 7.829651 26.71501 
1 1 1   14   10   14 o  151.472   10.977   55.100   7.7030   62.626   10.815   47.351   10.974  162.284   14.259  140.661   16.694 21.62337 21.95493 
1 1 1   14   10   15 o  201.572   13.303   97.944   12.531   96.989   17.799   98.882   17.644  200.540   18.992  202.604   18.634 -2.064575 26.60663 
1 1 1   14   10   16 o  336.642   18.410  281.186   28.965  281.763   40.992  280.612   40.933  336.993   26.028  336.291   26.045 0.7015381 36.82076 
1 1 1   14   10   17 o  194.677   14.181   84.773   12.368  120.663   21.532   67.100   15.109  222.815   20.677  166.538   19.413 56.27621 28.36191 
1 1 1   14   10   18 o  144.585   12.850   46.377   8.3112   66.501   14.529   36.589   10.133  165.881   18.741  123.288   17.586 42.59284 25.70012 
1 1 1   14   10   19 o  167.200   14.655   67.495   10.632   70.184   19.050   66.278   12.813  168.299   24.219  166.101   16.506 2.197632 29.30915 
1 1 1   14   10   20 o  290.336   19.482  209.142   24.996  226.447   43.545  200.638   30.526  295.699   31.510  284.972   22.921 10.72766 38.96446 
1 1 1   14   10   21 o  209.884   20.029  112.554   19.627  111.145   28.248  113.869   27.291  208.160   29.036  211.608   27.596 -3.448502 40.05819 
1 1 1   14   10   22 o  201.501   19.044  103.205   17.917  109.586   25.747   97.214   24.948  207.788   26.513  195.215   27.345 12.57272 38.08825 
1 1 1   14   10   23 o  132.561   14.915   46.099   8.2967   51.041   10.340   37.164   13.903  145.725   15.182  119.397   25.678 26.32888 29.83009 
1 1 1   14   10   24 o  220.765   17.201  118.678   16.967  111.304   20.869  133.057   29.143  212.766   20.987  228.765   27.259 -15.99893 34.40211 
1 1 1   14   10   25 o  256.628   23.830  174.423   28.560  169.442   40.657  179.275   40.127  252.305   34.480  260.950   32.903 -8.645142 47.65995 
1 1 1   14   10   26 o  126.357   18.366   41.900   10.555   35.387   15.920   47.010   14.100  114.909   29.495  137.806   21.894 -22.89781 36.73280 
1 1 1   14   10   27 o  115.566   25.269   34.970   13.267   0.0000   0.0000   34.970   13.267  ?   ?   115.566   25.269      ?      ? 
1 1 1   14   10   28 o  217.464   21.241  125.026   21.573  131.264   30.877  119.077   30.153  223.119   29.611  211.809   30.461 11.31030 42.48178 
1 1 1   14   10   29 o  161.268   15.293   63.174   10.573   70.153   19.601   60.310   12.557  165.347   25.365  157.190   17.093 8.156662 30.58696 
1 1 1   14   10   30 o   69.260   13.697   11.870   4.8465   17.358   6.9938   6.7996   6.7223   82.588   18.571   55.933   20.139 26.65455 27.39448 
1 1 1   14   10   31 o  188.129   16.154   91.212   13.207   95.903   16.289   82.212   22.562  198.105   17.593  178.152   27.098 19.95357 32.30854 
1 1 1   14   10   32 o  156.341   12.337   59.838   8.9905   56.545   12.918   62.931   12.520  151.860   18.202  160.822   16.657 -8.962097 24.67375 
1 1 1   14   10   33 o  100.721   13.820   33.085   7.2101  -1.5679   12.311   51.175   8.8951   55.255   24.380  146.187   13.020 -90.93234 27.63903 
1 1 1   14   10   34 o   94.983   17.953   24.180   8.2337   28.311   11.194   19.311   12.154  104.065   23.564   85.901   27.091 18.16446 35.90559 
1 1 1   14   10   35 o   83.436   13.919   15.178   4.2332   13.718   4.6200   22.822   10.569   74.315   13.810   92.556   24.171 -18.24113 27.83839 
1 1 1   14   10   36 o   66.901   12.992   7.2528   3.6457   4.1867   4.0314   21.015   8.5411   43.993   15.622   89.810   20.764 -45.81670 25.98435 
1 1 1   14   10   37 o   71.869   14.712   10.500   4.1160   8.9762   4.4803   18.741   10.420   59.650   15.815   84.087   24.812 -24.43690 29.42338 
1 1 1   14   10   38 o  182.725   14.987   85.680   10.653   86.845   12.193   81.925   21.897  189.465   13.770  175.985   26.624 13.48045 29.97431 
1 1 1   14   10   39 f   62.077   16.495   8.4314   6.3822   9.2390   7.9783   6.9961   10.636   62.279   21.991   61.874   24.592 0.4050865 32.99036 
1 1 1   14   10   40 o   90.993   17.926   18.965   8.4043   39.005   14.122   7.9749   10.458  119.047   26.101   62.939   24.577 56.10781 35.85127 
1 1 1   14   10   41 o   91.577   19.782   22.495   9.3537   32.166   14.582   15.733   12.193  105.888   28.733   77.265   27.196 28.62262 39.56324 
1 1 1   14   10   42 o  146.438   31.237   62.969   20.726   62.969   20.726   0.0000   0.0000  146.438   31.237  ?   ?       ?      ? 
1 1 1   14   10   43 o   54.114   21.567   5.1868   8.2010   5.1868   8.2010   0.0000   0.0000   54.114   21.567  ?   ?       ?      ? 
1 1 1   14   10   44 o  100.605   16.293   29.944   8.5288   45.303   11.325   9.8193   12.964  133.539   18.146   67.672   27.067 65.86773 32.58686 
1 1 1   14   10   45 o  114.161   14.527   31.963   6.3539   29.892   7.1770   39.469   13.664  110.155   13.941  118.167   25.491 -8.012619 29.05420 
1 1 1   14   10   46 o   71.473   16.131   10.791   5.0093   8.2812   5.5376   22.095   11.752   56.610   18.333   86.335   26.546 -29.72435 32.26134 
1 1 1   14   10   47 o   77.850   15.912   12.814   7.4679  -1.3563   9.6818   33.629   11.734   47.108   21.148  108.592   23.780 -61.48444 31.82343 
1 1 1   14   10   48 o  108.129   17.625   33.913   8.4262   34.533   10.192   32.576   14.977  114.769   19.002  101.490   29.691 13.27830 35.25087 
1 1 1   14   10   49 o   44.092   13.575  -2.7350   5.3085  -8.1582   6.6234   7.0059   8.8766   31.742   15.260   56.442   22.456 -24.69962 27.15012 
1 1 1   14   10   50 o   49.082   14.602   3.4495   5.4323   2.0811   6.6946   6.0875   9.2951   43.755   18.637   54.409   22.483 -10.65385 29.20321 
1 1 1   14   10   51 o   60.661   15.758   5.8694   5.1414   2.1353   5.7774   20.084   11.272   41.861   17.545   79.461   26.180 -37.59917 31.51539 
1 1 1   14   10   52 o   71.070   16.585   12.901   5.5234   10.130   6.2397   22.932   11.873   59.728   19.468   82.412   26.855 -22.68342 33.16922 
1 1 1   14   10   53 o   61.680   14.846   12.201   5.1979   13.911   5.8047   5.2807   11.677   69.458   17.800   53.902   23.766 15.55593 29.69278 
1 1 1   14   10   54 o   61.677   14.097   11.585   5.9762   19.783   7.4499  -3.2117   10.009   80.688   19.884   42.665   19.988 38.02259 28.19426 
1 1 1   14   10   55 o   60.111   17.232   9.7692   7.7846   20.934   12.232   2.1695   10.092   72.843   27.014   47.379   21.401 25.46313 34.46428 
1 1 1   14   10   56 o   48.074   14.489   2.6137   6.4066   11.233   8.7913  -7.1483   9.3557   58.478   22.617   37.671   18.117 20.80691 28.97876 
1 1 1   14   10   57 o   56.544   13.415   10.827   5.5085   16.867   6.4150  -6.1296   10.748   73.182   18.690   39.906   19.249 33.27543 26.82983 
1 1 1   14   11    0 o  277.062   14.172  184.939   25.640  184.939   25.640  184.939   25.640  277.062   20.042  277.062   20.042 -0.000000 0.000000 
1 1 1   14   11    1 o  125.583   8.8225   36.217   5.0932   43.672   8.1511   31.442   6.5235  135.831   12.840  115.335   12.102 20.49612 17.64493 
1 1 1   14   11    2 o  222.918   12.207  117.355   12.508  126.902   19.848  111.066   16.110  229.975   18.467  215.860   15.969 14.11525 24.41339 
1 1 1   14   11    3 o  292.863   16.125  211.983   21.375  224.545   27.584  193.101   33.817  305.529   19.318  280.198   25.824 25.33099 32.25012 
1 1 1   14   11    4 o  148.817   8.0904   52.343   5.6184   49.163   7.9572   55.504   7.9342  144.256   11.803  153.378   11.069 -9.122223 16.18089 
1 1 1   14   11    5 o  125.938   7.8836   37.456   4.6285   34.185   6.5027   40.814   6.5896  120.315   11.565  131.561   10.717 -11.24520 15.76717 
1 1 1   14   11    6 o  140.706   9.2416   45.491   5.9467   40.541   7.5252   53.721   9.7039  130.929   12.298  150.484   13.798 -19.55482 18.48317 
1 1 1   14   11    7 o  187.717   10.816   83.028   9.2909   79.798   11.882   88.109   14.904  183.379   13.864  192.055   16.605 -8.676727 21.63206 
1 1 1   14   11    8 o  161.134   13.173   62.434   8.4603   62.481   9.7168   62.287   17.201  162.434   12.800  159.834   23.027 2.599426 26.34564 
1 1 1   14   11    9 o  241.453   12.657  137.770   14.054  128.780   18.088  151.462   22.323  232.080   16.677  250.826   19.043 -18.74652 25.31330 
1 1 1   14   11   10 o  177.873   11.220   78.145   8.9226   87.286   11.534   64.523   14.080  191.922   12.860  163.824   18.390 28.09798 22.43980 
1 1 1   14   11   11 o  209.359   13.812   95.827   12.850   72.924   15.562  144.913   22.782  173.893   19.149  244.825   19.911 -70.93195 27.62445 
1 1 1   14   11   12 o  320.955   26.623  280.261   36.345  241.396   62.930  299.712   44.520  295.237   45.609  346.674   27.478 -51.43692 53.24680 
1 1 1   14   11   13 o  193.994   12.541   90.460   11.370   91.403   16.053   89.510   16.105  195.047   17.611  192.941   17.860 2.105743 25.08272 
1 1 1   14   11   14 o   64.216   10.149   8.5906   3.8013  -1.6812   5.1838   20.540   5.5910   35.390   15.707   93.043   12.858 -57.65236 20.29884 
1 1 1   14   11   15 o  206.801   13.089  103.218   12.649  101.604   17.906  104.826   17.869  205.127   18.679  208.475   18.340 -3.347748 26.17735 
1 1 1   14   11   16 o  276.567   16.837  188.840   21.757  184.523   30.816  193.130   30.721  273.214   24.134  279.920   23.484 -6.706268 33.67378 
1 1 1   14   11   17 o   86.726   16.260   18.603   6.3483   0.0000   0.0000   18.603   6.3483  ?   ?    86.726   16.260      ?      ? 
1 1 1   14   11   18 o  110.050   15.717   29.071   8.0836   0.0000   0.0000   29.071   8.0836  ?   ?   110.050   15.717      ?      ? 
1 1 1   14   11   19 f   71.220   16.321   12.094   6.6843   4.6181   10.130   17.859   8.8957   58.887   23.795   83.552   22.347 -24.66533 32.64275 
1 1 1   14   11   20 o  112.673   17.166   32.542   8.7664   38.012   12.991   27.968   11.879  121.693   23.694  103.654   24.845 18.03852 34.33194 
1 1 1   14   11   21 o  150.554   13.463   53.715   9.1174   49.634   11.274   61.429   15.501  143.240   16.841  157.867   21.010 -14.62698 26.92601 
1 1 1   14   11   22 o   83.214   14.687   17.251   5.5997   15.542   7.1812   19.903   8.9443   78.282   19.657   88.146   21.827 -9.864616 29.37354 
1 1 1   14   11   23 o  168.623   24.272   71.011   19.128   0.0000   0.0000   71.011   19.128  ?   ?   168.623   24.272      ?      ? 
1 1 1   14   11   24 o  185.378   16.718   87.793   13.214   79.882   23.440   91.478   15.998  176.502   28.416  194.255   17.622 -17.75284 33.43665 
1 1 1   14   11   25 o   37.260   12.270  -4.7437   4.7922 -13.2242   9.7851  -2.0679   5.4965   38.715   18.596   35.805   16.014 2.910095 24.54069 
1 1 1   14   11   26 o  130.204   16.936   47.923   8.9535   32.784   15.965   54.869   10.814  109.649   30.195  150.759   15.349 -41.10942 33.87203 
1 1 1   14   11   27 o  141.959   13.359   46.642   8.5522   61.871   14.646   38.762   10.535  158.121   19.819  125.797   17.919 32.32394 26.71876 
1 1 1   14   11   28 o  245.983   15.370  151.734   17.617  164.948   24.974  138.646   24.854  257.381   20.762  234.586   22.670 22.79501 30.74082 
1 1 1   14   11   29 o   99.676   12.860   24.911   5.7586   26.472   8.4805   23.576   7.8443  102.563   18.367   96.788   18.004 5.774948 25.71959 
1 1 1   14   11   30 o  193.652   19.114  103.989   15.018  116.729   18.529   79.591   25.641  218.231   18.167  169.072   33.634 49.15955 38.22717 
1 1 1   14   11   31 o  111.917   12.757   31.122   6.3805   39.716   9.2922   23.456   8.7766  128.101   15.521   95.733   20.249 32.36808 25.51326 
1 1 1   14   11   32 o  165.827   12.343   67.318   9.5297   62.499   13.703   71.832   13.262  159.686   18.362  171.967   16.501 -12.28107 24.68681 
1 1 1   14   11   33 f  123.034   15.281   39.638   7.8901   34.942   13.740   41.949   9.6374  114.515   26.236  131.554   15.675 -17.03934 30.56250 
1 1 1   14   11   34 o   89.497   14.598   24.022   6.3343   8.0623   11.185   31.556   7.6855   64.863   25.393  114.131   14.409 -49.26845 29.19621 
1 1 1   14   11   35 o   68.371   14.803   11.082   4.2341   10.863   4.6189   12.232   10.595   65.580   15.343   71.162   25.320 -5.581589 29.60552 
1 1 1   14   11   36 o   64.731   15.534   10.064   6.1803   15.048   7.6127   0.4270   10.585   76.164   20.800   53.298   23.076 22.86606 31.06705 
1 1 1   14   11   37 f   55.866   13.598   7.6829   3.8190   8.7969   4.1191   0.8648   10.191   59.014   14.925   52.717   22.734 6.297573 27.19518 
1 1 1   14   11   38 o   82.157   21.974   17.935   8.6014   17.935   8.6014   0.0000   0.0000   82.157   21.974  ?   ?       ?      ? 
1 1 1   14   11   39 o   66.868   14.845   9.8220   4.5521   7.9782   5.1908   15.961   9.4719   56.461   17.690   77.275   23.844 -20.81440 29.68973 
1 1 1   14   11   40 o  168.594   20.575   78.552   15.692   96.464   23.525   64.195   21.062  188.639   26.684  148.547   31.325 40.09216 41.14999 
1 1 1   14   11   41 o   61.114   26.058   3.9582   13.112   3.9582   13.112   0.0000   0.0000   61.114   26.058  ?   ?       ?      ? 
1 1 1   14   11   42 o  122.073   13.281   36.371   7.5771   36.371   7.5771   0.0000   0.0000  122.073   13.281  ?   ?       ?      ? 
1 1 1   14   11   43 o   89.438   14.813   17.023   5.2456   13.158   5.8765   32.180   11.637   70.827   17.780  108.048   23.698 -37.22145 29.62622 
1 1 1   14   11   44 f   82.590   15.537   16.108   5.3810   13.445   6.1304   25.048   11.232   71.297   18.304   93.884   25.110 -22.58683 31.07363 
1 1 1   14   11   45 o   49.238   15.392   0.0511   6.9159   1.6278   8.8709  -2.3923   11.043   49.247   21.224   49.228   22.298 0.1894379E-01 30.78415 
1 1 1   14   11   46 o   58.226   13.642   9.3477   4.8730   12.971   5.5467  -2.9090   10.202   69.832   17.126   46.621   21.239 23.21123 27.28380 
1 1 1   14   11   47 o   48.940   14.208  -1.8522   4.0442  -4.5129   4.3755   13.753   10.596   27.375   12.945   70.504   25.296 -43.12947 28.41561 
1 1 1   14   11   48 o   60.256   14.782   10.160   5.3186   12.865   5.9832  -0.0266   11.610   68.705   18.304   51.806   23.215 16.89923 29.56322 
1 1 1   14   11   49 o   93.007   18.910   27.096   8.6036   21.892   11.143   34.780   13.539   82.740   25.917  103.275   27.544 -20.53547 37.82022 
1 1 1   14   11   50 o   60.245   23.944   9.1962   10.083   0.0000   0.0000   9.1962   10.083  ?   ?    60.245   23.944      ?      ? 
1 1 1   14   11   51 o   72.792   16.211   16.265   7.4313   25.779   9.6037   2.0690   11.732   92.988   22.371   52.596   23.469 40.39177 32.42289 
1 1 1   14   11   52 o   49.006   14.252   5.2159   4.4981   5.5417   4.9494   3.6699   10.782   46.683   17.209   51.329   22.724 -4.646221 28.50447 
1 1 1   14   11   53 o   69.242   14.676   8.0121   5.1095   1.2754   5.7713   32.434   10.989   39.093   16.983   99.391   23.941 -60.29836 29.35271 
1 1 1   14   11   54 o   54.444   16.039   6.1567   6.7029   0.7924   8.3918   15.611   11.141   43.352   19.555   65.536   25.429 -22.18392 32.07833 
1 1 1   14   11   55 o   62.090   16.661   10.878   7.6172  -0.5165   10.517   23.451   11.047   45.220   20.950   78.959   25.913 -33.73965 33.32214 
1 1 1   14   11   56 o   50.905   15.929   5.6364   7.7390  -0.5255   11.033   11.605   10.858   44.638   20.936   57.172   24.013 -12.53402 31.85774 
1 1 1   14   12    0 o  483.736   20.411  571.513   64.724  571.513   64.724  571.513   64.724  483.736   28.865  483.736   28.865 -0.000000 0.000000 
1 1 1   14   12    1 o  221.547   12.372  118.036   12.720  134.592   18.080  101.809   17.900  237.350   16.300  205.744   18.616 31.60617 24.74311 
1 1 1   14   12    2 o  266.924   14.781  173.862   17.970  166.715   28.439  178.612   23.185  261.172   23.299  272.677   18.194 -11.50565 29.56126 
1 1 1   14   12    3 o  145.321   8.3021   50.122   5.5967   57.389   7.9480   42.974   7.8823  155.927   10.907  134.716   12.520 21.21074 16.60416 
1 1 1   14   12    4 o  196.922   9.7291   92.839   8.8218  111.493   12.527   74.485   12.426  217.016   12.351  176.829   15.036 40.18726 19.45824 
1 1 1   14   12    5 o  216.040   9.8318  111.059   9.8970  121.315   14.039  100.927   13.954  226.126   13.284  205.954   14.498 20.17116 19.66359 
1 1 1   14   12    6 o  144.977   8.4488   50.189   5.6538   41.572   8.0453   58.596   7.9469  132.403   13.002  157.551   10.793 -25.14806 16.89766 
1 1 1   14   12    7 o   90.192   9.1760   18.148   3.7448   14.773   4.6445   24.418   6.3308   78.960   12.586  101.424   13.356 -22.46356 18.35193 
1 1 1   14   12    8 o  381.697   19.130  355.683   33.638  322.449   43.372  405.853   53.289  360.903   25.714  402.492   28.329 -41.58911 38.25922 
1 1 1   14   12    9 o  293.287   19.026  204.889   22.906  194.967   26.439  234.750   45.868  283.765   19.936  302.809   32.411 -19.04413 38.05162 
1 1 1   14   12   10 o  447.481   26.054  550.479   50.839  637.637   65.646  419.873   80.359  504.622   27.836  390.340   44.050 114.2822 52.10810 
1 1 1   14   12   11 o  347.957   20.410  305.195   33.172  316.111   46.919  294.285   46.907  354.664   28.306  341.250   29.412 13.41440 40.82047 
1 1 1   14   12   12 o  291.398   17.530  211.657   23.542  173.204   33.256  250.286   33.332  263.116   27.044  319.679   22.310 -56.56305 35.05914 
1 1 1   14   12   13 f   92.824   11.609   21.285   4.8528   16.966   6.9230   25.458   6.8044   82.288   18.457  103.360   14.086 -21.07242 23.21791 
1 1 1   14   12   14 f  245.411   19.373  151.223   20.917  153.071   36.143  150.293   25.649  243.473   31.764  247.348   22.188 -3.875000 38.74566 
1 1 1   14   12   15 f  101.960   15.580   25.026   7.5006   39.783   11.539   14.229   9.8702  127.917   19.302   76.004   24.462 51.91336 31.16016 
1 1 1   14   12   16 o  121.436   16.034   35.471   9.0996   0.0000   0.0000   35.471   9.0996  ?   ?   121.436   16.034      ?      ? 
1 1 1   14   12   17 o   66.079   20.751   10.714   7.1381   0.0000   0.0000   10.714   7.1381  ?   ?    66.079   20.751      ?      ? 
1 1 1   14   12   18 f  104.246   16.490   28.055   7.8409   30.440   11.094   25.674   11.083  109.031   22.518   99.462   24.097 9.569695 32.98062 
1 1 1   14   12   19 o  309.273   23.595  249.559   32.281  239.521   39.561  269.560   55.843  305.996   27.664  312.550   38.230 -6.553589 47.18916 
1 1 1   14   12   20 o  123.124   15.669   40.516   8.0399   45.060   9.8562   31.479   13.899  136.945   15.400  109.304   27.292 27.64070 31.33723 
1 1 1   14   12   21 o  100.055   17.287   26.127   7.9742   24.199   12.227   27.554   10.519   96.271   26.390  103.840   22.339 -7.569115 34.57499 
1 1 1   14   12   22 o  126.144   16.175   41.800   8.4369   35.874   15.120   44.480   10.167  116.396   28.111  135.891   16.009 -19.49441 32.34997 
1 1 1   14   12   23 o  274.301   21.224  196.883   25.325  193.210   44.091  198.691   30.937  266.855   35.354  281.746   23.495 -14.89108 42.44885 
1 1 1   14   12   24 o  155.258   16.238   61.205   10.535   60.548   18.824   61.504   12.711  151.470   27.609  159.046   17.101 -7.576050 32.47665 
1 1 1   14   12   25 o  198.767   13.485   97.316   12.523   95.082   17.715   99.548   17.707  196.361   19.303  201.173   18.834 -4.811722 26.96903 
1 1 1   14   12   26 o  220.816   14.136  120.904   14.581  125.435   20.668  116.414   20.573  225.156   19.641  216.476   20.335 8.680115 28.27161 
1 1 1   14   12   27 o  252.045   15.862  160.572   18.458  133.906   26.119  187.176   26.088  229.423   24.360  274.668   20.323 -45.24513 31.72443 
1 1 1   14   12   28 o  188.335   13.146   87.494   11.497   77.217   16.351   97.541   16.168  176.736   19.796  199.934   17.303 -23.19864 26.29228 
1 1 1   14   12   29 o  293.242   18.016  223.384   23.918  164.955   33.821  281.840   33.829  250.601   28.878  335.883   21.551 -85.28198 36.03276 
1 1 1   14   12   30 o  168.080   12.857   69.989   9.9470   57.637   14.245   81.743   13.896  152.638   19.969  183.523   16.201 -30.88539 25.71469 
1 1 1   14   12   31 o  293.961   17.792  221.149   24.293  195.549   34.388  246.652   34.322  275.336   26.724  312.585   23.494 -37.24893 35.58300 
1 1 1   14   12   32 o  175.407   14.910   73.530   11.832   91.443   20.028   63.926   14.664  190.247   22.526  160.567   19.542 29.68044 29.82074 
1 1 1   14   12   33 o  177.788   21.538   89.100   16.806  117.323   23.610   60.112   23.929  213.494   23.663  142.081   35.994 71.41286 43.07595 
1 1 1   14   12   34 o  103.031   16.373   31.539   7.8466   39.978   9.6270   14.836   13.543  127.951   16.099   78.112   28.516 49.83973 32.74664 
1 1 1   14   12   35 o   91.039   16.722   23.101   7.2251   26.844   8.9962   16.301   12.127  102.432   19.505   79.647   27.167 22.78489 33.44366 
1 1 1   14   12   36 o  158.985   11.867   57.745   8.1937   50.796   9.6980   75.078   15.317  144.596   14.351  173.374   18.904 -28.77808 23.73400 
1 1 1   14   12   37 o  103.537   12.851   21.935   5.3629   17.178   6.0501   39.381   11.586   82.249   16.316  124.825   19.860 -42.57610 25.70246 
1 1 1   14   12   38 o   90.051   14.126   17.105   4.9772   13.649   5.5738   30.707   11.057   72.928   16.712  107.175   22.778 -34.24705 28.25101 
1 1 1   14   12   39 o   75.715   28.256   14.366   13.424   14.366   13.424   0.0000   0.0000   75.715   28.256  ?   ?       ?      ? 
1 1 1   14   12   40 f  173.955   10.942   72.738   8.8952   72.738   8.8952   0.0000   0.0000  173.955   10.942  ?   ?       ?      ? 
1 1 1   14   12   41 o   45.500   19.831   0.0440   7.9237   0.0440   7.9237   0.0000   0.0000   45.500   19.831  ?   ?       ?      ? 
1 1 1   14   12   42 o   98.713   17.517   26.517   7.8162   24.149   9.7336   30.816   13.116   93.964   22.469  103.461   26.881 -9.497101 35.03454 
1 1 1   14   12   43 o  124.675   17.971   44.243   9.8395   46.549   12.301   40.148   16.395  134.144   19.622  115.206   30.113 18.93770 35.94192 
1 1 1   14   12   44 f   52.225   14.354  -1.0511   6.2628 -14.3942   8.6147   13.906   9.1208   33.517   16.405   70.933   23.558 -37.41605 28.70722 
1 1 1   14   12   45 o   81.341   15.991   18.419   5.5199   18.415   6.1538   18.437   12.487   83.956   16.271   78.726   27.534 5.229591 31.98257 
1 1 1   14   12   46 o  119.929   11.903   30.105   5.8751   21.617   6.7436   56.835   11.967   91.095   16.445  148.762   17.213 -57.66684 23.80637 
1 1 1   14   12   47 o   64.988   15.506   6.7322   4.6889   3.3508   5.1576   22.838   11.256   43.279   17.149   86.698   25.839 -43.41930 31.01232 
1 1 1   14   12   48 o   97.350   15.929   26.205   6.4149   24.158   7.4354   32.163   12.687   94.361   17.505  100.339   26.617 -5.977158 31.85751 
1 1 1   14   12   49 f   57.428   13.710   3.1363   4.1613  -1.2052   4.6560   20.370   9.2765   32.708   14.676   82.147   23.163 -49.43849 27.42077 
1 1 1   14   12   50 o   61.209   15.560   10.069   4.9587   10.130   5.4752   9.7924   11.695   60.441   18.023   61.978   25.370 -1.536686 31.12039 
1 1 1   14   12   51 o   44.192   13.764   1.7714   4.3105   1.2799   4.7308   4.1745   10.461   36.742   15.659   51.643   22.640 -14.90081 27.52761 
1 1 1   14   12   52 o   37.056   12.529  -3.8796   3.9830  -4.8015   4.3084   1.5412   10.447   26.050   12.466   48.063   21.736 -22.01259 25.05737 
1 1 1   14   12   53 o   35.211   11.207  -1.2491   4.1116   2.7219   4.5085 -20.8672   10.021   38.617   15.774   31.805   15.924 6.812128 22.41384 
1 1 1   14   12   54 o   54.018   13.763   8.1405   5.7287   14.700   6.6958  -9.7769   11.066   68.628   19.788   39.409   19.133 29.21901 27.52532 
1 1 1   14   12   55 o   46.408   15.160   0.2927   7.6829   7.1113   11.661  -4.9381   10.213   52.527   23.421   40.289   19.257 12.23825 30.32074 
1 1 1   14   13    0 o  196.240   12.036   93.165   15.341   93.165   15.341   93.165   15.341  196.240   17.021  196.240   17.021 -0.000000 0.000000 
1 1 1   14   13    1 o  343.239   17.619  288.847   27.761  303.060   43.938  279.403   35.816  348.619   26.968  337.859   22.683 10.76022 35.23886 
1 1 1   14   13    2 o  174.643   10.469   72.960   8.3536   71.506   13.205   73.930   10.786  172.806   16.351  176.480   13.078 -3.674072 20.93742 
1 1 1   14   13    3 o  154.106   14.989   63.117   8.5207   67.405   9.8184   50.036   17.149  168.628   12.459  139.585   27.266 29.04335 29.97710 
1 1 1   14   13    4 o   35.286   9.7262   1.7798   2.3542   2.8052   3.0730   0.3232   3.6628   37.595   13.605   32.976   13.903 4.618866 19.45240 
1 1 1   14   13    5 o   64.879   8.6279   10.439   2.5155   7.9562   3.6952   12.583   3.4340   56.724   14.019   73.033   10.061 -16.30890 17.25583 
1 1 1   14   13    6 o  225.939   10.523  121.823   11.106  126.630   15.761  117.081   15.651  230.444   14.635  221.435   15.124 9.009644 21.04526 
1 1 1   14   13    7 o  216.111   11.578  108.969   11.527   94.136   14.861  131.371   18.263  198.256   16.039  233.967   16.702 -35.71045 23.15668 
1 1 1   14   13    8 o  103.199   9.9714   25.362   4.8079   26.098   6.8900   24.663   6.7123  104.660   14.086  101.738   14.117 2.922676 19.94282 
1 1 1   14   13    9 o  189.556   10.853   85.680   9.4094   84.576   12.093   87.374   14.979  188.454   13.731  190.657   16.811 -2.202438 21.70564 
1 1 1   14   13   10 o  185.586   14.370   77.458   11.958  110.969   20.730   60.745   14.640  213.151   20.810  158.021   19.823 55.13072 28.74010 
1 1 1   14   13   11 o  131.370   12.464   40.975   7.2433   43.886   12.612   39.542   8.8479  134.148   20.117  128.591   14.723 5.557495 24.92897 
1 1 1   14   13   12 o  194.309   17.115   97.384   14.227   84.200   24.701  103.929   17.404  181.426   29.132  207.191   17.974 -25.76532 34.23015 
1 1 1   14   13   13 o   80.072   14.812   16.753   6.0553   7.6508   9.0749   24.059   8.1299   62.010   23.214   98.133   18.403 -36.12281 29.62372 
1 1 1   14   13   14 o  134.463   17.040   46.509   10.314   38.896   15.068   53.219   14.146  121.697   27.180  147.229   20.559 -25.53267 34.07981 
1 1 1   14   13   15 f   54.086   15.056   4.7096   5.5115   2.1946   9.2993   6.0714   6.8429   53.359   22.304   54.813   20.229 -1.454525 30.11135 
1 1 1   14   13   16 o  129.010   15.914   41.912   9.3790   40.381   13.442   43.364   13.093  125.416   23.805  132.603   21.126 -7.186974 31.82743 
1 1 1   14   13   17 o  191.708   18.599   93.264   16.584   83.481   23.443  103.064   23.463  180.786   27.746  202.630   24.776 -21.84431 37.19790 
1 1 1   14   13   18 o  139.114   16.313   47.880   10.580   50.342   15.634   45.800   14.371  142.242   23.518  135.985   22.613 6.256760 32.62641 
1 1 1   14   13   19 o  199.233   16.120   96.733   14.163  103.598   24.756   93.394   17.267  202.592   26.147  195.874   18.863 6.718796 32.24069 
1 1 1   14   13   20 o  182.061   18.455   83.973   15.588   96.515   22.346   72.088   21.754  196.213   24.369  167.908   27.722 28.30545 36.91001 
1 1 1   14   13   21 o  109.310   15.739   31.333   7.1818   27.493   13.264   32.926   8.5423  101.773   27.316  116.846   15.643 -15.07314 31.47771 
1 1 1   14   13   22 o  203.878   13.548  102.267   12.862   92.339   18.130  112.327   18.251  193.424   20.056  214.333   18.220 -20.90852 27.09636 
1 1 1   14   13   23 o  219.758   14.205  119.871   14.523  107.192   20.500  132.649   20.579  207.390   21.150  232.127   18.970 -24.73647 28.41083 
1 1 1   14   13   24 o  132.393   11.761   42.747   7.2631   45.404   10.230   40.046   10.314  136.746   16.007  128.041   17.236 8.705017 23.52246 
1 1 1   14   13   25 o  121.880   12.930   37.843   6.8251   24.599   9.5866   51.456   9.7192   97.568   21.595  146.191   14.226 -48.62224 25.85933 
1 1 1   14   13   26 o  237.602   19.045  145.580   19.898  147.138   34.297  144.790   24.430  234.533   31.291  240.671   21.720 -6.138779 38.09014 
1 1 1   14   13   27 o  121.674   16.182   43.058   8.2780   23.591   13.829   53.928   10.334   93.843   28.787  149.505   14.790 -55.66199 32.36450 
1 1 1   14   13   28 o  226.212   13.930  126.607   14.658  141.359   20.882  112.280   20.579  239.871   18.627  212.553   20.717 27.31725 27.85973 
1 1 1   14   13   29 o   65.382   16.006   9.9604   5.7641   9.9891   7.0936   9.9046   9.8894   63.936   20.754   66.829   24.372 -2.892563 32.01119 
1 1 1   14   13   30 o  172.757   15.843   76.918   11.931   81.227   14.776   68.846   20.225  182.337   17.340  163.177   26.520 19.16045 31.68592 
1 1 1   14   13   31 o  270.769   20.488  187.621   24.805  167.162   30.344  228.830   43.065  253.306   25.632  288.232   31.970 -34.92625 40.97622 
1 1 1   14   13   32 f  198.165   22.204  109.523   19.708  127.911   27.634   90.492   28.114  220.055   26.870  176.274   35.356 43.78090 44.40789 
1 1 1   14   13   33 o  135.901   17.281   48.160   10.732   49.629   14.959   46.603   15.406  139.598   22.929  132.204   25.861 7.394409 34.56222 
1 1 1   14   13   34 o  219.408   14.610  121.261   14.936  131.861   21.188  110.791   21.059  229.631   19.743  209.186   21.541 20.44530 29.21997 
1 1 1   14   13   35 o  246.483   15.250  155.916   17.397  134.073   24.741  177.277   24.467  227.606   23.259  265.361   19.729 -37.75414 30.49959 
1 1 1   14   13   36 o   74.904   14.324   9.8778   4.1658   6.9890   4.5415   25.204   10.460   53.084   16.532   96.723   23.396 -43.63956 28.64754 
1 1 1   14   13   37 o   33.128   10.691  -0.5772   2.8210   1.0282   2.9490 -17.8793   9.6811   31.357   12.777   34.899   17.145 -3.542912 21.38213 
1 1 1   14   13   38 o   77.917   15.752   15.455   5.5387   15.455   5.5387   0.0000   0.0000   77.917   15.752  ?   ?       ?      ? 
1 1 1   14   13   39 o   42.514   15.054   4.0020   3.7413   4.0020   3.7413   0.0000   0.0000   42.514   15.054  ?   ?       ?      ? 
1 1 1   14   13   40 f   86.346   13.554   18.240   5.4695   18.240   5.4695   0.0000   0.0000   86.346   13.554  ?   ?       ?      ? 
1 1 1   14   13   41 o  101.964   16.336   29.677   7.7178   35.017   9.9333   21.543   12.259  117.389   18.106   86.539   27.197 30.85033 32.67276 
1 1 1   14   13   42 o   46.295   15.105  -6.4572   7.8682 -14.8832   12.210  -0.4739   10.289   42.497   20.503   50.094   22.186 -7.596191 30.20949 
1 1 1   14   13   43 o   61.692   16.656   8.8259   7.0118   12.856   8.9476   2.4121   11.287   68.615   23.336   54.769   23.771 13.84562 33.31159 
1 1 1   14   13   44 o  119.958   15.365   41.571   6.8645   43.608   7.8475   34.935   14.165  133.062   12.619  106.854   28.020 26.20821 30.73035 
1 1 1   14   13   45 o   87.499   15.153   17.755   5.0492   15.422   5.5720   28.465   11.939   76.815   16.039   98.182   25.713 -21.36732 30.30542 
1 1 1   14   13   46 o   67.588   15.348   10.392   4.8623   7.6914   5.5456   19.371   10.111   54.502   18.373   80.673   24.591 -26.17138 30.69643 
1 1 1   14   13   47 o   28.079   12.919  -2.2973   3.9012  -2.2973   3.9012   0.0000   0.0000   28.079   12.919  ?   ?       ?      ? 
1 1 1   14   13   48 o   51.346   15.703   2.9602   6.8620   0.9789   9.0828   5.5950   10.474   47.303   20.903   55.389   23.440 -8.085880 31.40666 
1 1 1   14   13   49 o   51.293   14.205   4.4736   4.0883   2.9409   4.5560   10.809   9.2633   40.406   16.084   62.180   23.419 -21.77402 28.41057 
1 1 1   14   13   50 o   65.221   15.704   12.474   5.0573   12.097   5.6246   14.066   11.554   64.825   17.951   65.617   25.773 -0.7922897 31.40862 
1 1 1   14   13   51 o   44.455   13.723   1.2311   4.0268  -0.1488   4.3953   8.4404   10.046   32.898   14.539   56.011   23.278 -23.11271 27.44527 
1 1 1   14   13   52 o   65.658   17.394   12.598   8.3450   27.250   12.138  -0.5335   11.491   84.425   27.123   46.892   21.785 37.53234 34.78818 
1 1 1   14   13   53 o   48.275   12.943   6.3448   4.5028   9.3447   4.9479  -8.1122   10.862   56.447   17.201   40.102   19.345 16.34504 25.88681 
1 1 1   14   13   54 o   55.689   14.984   9.4142   4.9837   8.4505   5.8307   12.027   9.6010   52.668   18.778   58.709   23.355 -6.040314 29.96783 
1 1 1   14   13   55 o   43.096   17.350   4.6424   5.3649   4.6424   5.3649   0.0000   0.0000   43.096   17.350  ?   ?       ?      ? 
1 1 1   14   14    0 o  280.675   16.967  193.494   30.945  193.494   30.945  193.494   30.945  280.675   23.995  280.675   23.995 -0.000000 0.000000 
1 1 1   14   14    1 o  241.254   12.798  138.357   14.218  154.373   22.512  127.729   18.339  252.215   19.099  230.293   17.039 21.92284 25.59504 
1 1 1   14   14    2 o  262.013   12.590  166.370   15.326  186.636   21.683  146.137   21.665  278.546   16.657  245.480   18.885 33.06564 25.18080 
1 1 1   14   14    3 o  178.918   10.294   74.324   8.4728   64.416   10.875   89.625   13.515  164.283   14.165  193.553   14.941 -29.26941 20.58789 
1 1 1   14   14    4 o  144.942   10.113   51.569   6.5803   56.382   8.4800   44.284   10.432  154.186   11.768  135.698   16.450 18.48883 20.22601 
1 1 1   14   14    5 o  159.707   9.0158   60.638   6.7272   62.804   9.6051   58.552   9.4249  162.528   12.645  156.886   12.854 5.641953 18.03156 
1 1 1   14   14    6 o  266.544   15.715  175.825   19.418  151.129   27.416  200.682   27.506  246.678   23.781  286.410   20.549 -39.73248 31.42957 
1 1 1   14   14    7 o  153.373   9.6271   57.096   6.6561   52.069   10.665   60.303   8.5191  147.281   15.494  159.465   11.431 -12.18475 19.25426 
1 1 1   14   14    8 o  190.227   12.136   87.463   10.780   91.697   15.290   83.277   15.201  194.943   16.783  185.510   17.533 9.433151 24.27111 
1 1 1   14   14    9 o  250.537   14.929  155.115   17.312  131.126   24.412  179.385   24.554  229.967   22.714  271.107   19.379 -41.14011 29.85781 
1 1 1   14   14   10 o   82.146   14.961   16.998   5.8056   20.740   8.6150   13.885   7.8579   90.192   20.855   74.100   21.457 16.09120 29.92191 
1 1 1   14   14   11 f  105.650   15.979   29.267   7.8172   19.630   11.505   37.532   10.655   87.130   26.158  124.170   18.360 -37.04037 31.95826 
1 1 1   14   14   12 o  241.264   18.153  145.813   19.336  143.046   23.716  151.299   33.394  240.863   21.069  241.665   29.568 -0.8016205 36.30602 
1 1 1   14   14   13 f  175.937   15.251   77.929   11.726   81.131   14.466   71.794   20.022  183.146   16.901  168.727   25.391 14.41899 30.50164 
1 1 1   14   14   14 o  175.974   14.526   74.111   11.437   69.705   14.089   82.627   19.587  169.551   17.780  182.397   22.977 -12.84540 29.05297 
1 1 1   14   14   15 o   90.374   15.701   20.836   6.6048   24.029   9.5823   17.946   9.1162   97.041   21.676   83.708   22.721 13.33364 31.40178 
1 1 1   14   14   16 o   91.517   22.968   21.547   9.8078   0.0000   0.0000   21.547   9.8078  ?   ?    91.517   22.968      ?      ? 
1 1 1   14   14   17 o   41.637   16.898   1.9056   5.1333   0.0000   0.0000   1.9056   5.1333  ?   ?    41.637   16.898      ?      ? 
1 1 1   14   14   18 o  140.340   13.820   44.259   8.4862   60.390   15.718   37.622   10.082  156.173   21.535  124.507   17.326 31.66557 27.63961 
1 1 1   14   14   19 o   69.576   15.769   12.403   5.6322   7.2948   11.217   14.126   6.5128   64.573   25.384   74.578   18.716 -10.00540 31.53758 
1 1 1   14   14   20 o  157.141   17.146   67.694   10.938   76.073   13.432   51.201   18.844  177.093   16.229  137.188   30.208 39.90483 34.29175 
1 1 1   14   14   21 o  312.774   19.419  255.058   28.240  282.556   40.001  227.736   39.873  331.469   25.822  294.079   29.012 37.39023 38.83852 
1 1 1   14   14   22 o  165.395   14.451   65.080   10.808   79.868   18.300   57.158   13.393  178.445   21.943  152.345   18.811 26.10062 28.90278 
1 1 1   14   14   23 o  111.019   14.578   32.680   6.8977   26.320   11.637   36.125   8.5646   99.735   25.010  122.303   14.984 -22.56837 29.15532 
1 1 1   14   14   24 o   78.089   16.059   14.666   5.9882   11.909   7.3625   20.054   10.293   68.742   20.991   87.436   24.309 -18.69308 32.11753 
1 1 1   14   14   25 o   50.743   14.519   3.5263   5.0889   4.1667   6.1241   2.0975   9.1474   48.952   18.893   52.534   22.051 -3.581532 29.03739 
1 1 1   14   14   26 o  119.482   16.902   42.948   8.7267   54.671   10.756   20.373   14.927  150.371   15.306   88.593   30.141 61.77834 33.80474 
1 1 1   14   14   27 o  133.680   14.304   41.999   8.4849   32.681   10.604   58.584   14.147  113.277   20.796  154.084   19.646 -40.80666 28.60833 
1 1 1   14   14   28 o   84.063   16.449   17.443   6.3766   15.268   7.7656   21.944   11.172   77.024   20.997   91.101   25.326 -14.07767 32.89786 
1 1 1   14   14   29 o  126.886   17.561   46.219   9.3938   53.742   11.512   31.225   16.251  148.232   16.617  105.540   30.943 42.69174 35.12273 
1 1 1   14   14   30 o  258.470   16.731  171.994   20.206  176.839   28.711  167.239   28.442  262.319   23.420  254.621   23.901 7.698761 33.46280 
1 1 1   14   14   31 o  324.191   28.800  316.765   40.018  301.927   69.187  324.224   49.056  302.338   48.965  346.044   30.333 -43.70624 57.59958 
1 1 1   14   14   32 o  175.344   15.033   72.616   11.883   98.033   20.359   59.482   14.634  196.588   22.159  154.100   20.320 42.48772 30.06536 
1 1 1   14   14   33 o  103.612   13.111   27.563   6.0893   20.597   8.6450   34.422   8.5785   88.549   21.176  118.676   15.467 -30.12703 26.22296 
1 1 1   14   14   34 o  114.303   13.866   31.614   7.0503   40.479   11.940   26.868   8.7361  126.419   20.209  102.187   18.992 24.23212 27.73227 
1 1 1   14   14   35 o  162.738   20.684   81.875   13.338   54.618   24.072   93.949   16.022  131.367   37.408  194.109   17.661 -62.74170 41.36751 
1 1 1   14   14   36 o  204.887   22.254  119.681   21.279  122.248   31.018  117.398   29.246  206.087   32.205  203.688   30.722 2.398529 44.50832 
1 1 1   14   14   37 o   25.565   11.581  -1.5340   2.9797  -1.5340   2.9797   0.0000   0.0000   25.565   11.581  ?   ?       ?      ? 
1 1 1   14   14   38 o   16.059   7.9495  -5.0555   2.2201  -5.0555   2.2201   0.0000   0.0000   16.059   7.9495  ?   ?       ?      ? 
1 1 1   14   14   39 o   65.834   15.311   10.861   4.7611   10.896   5.2986   10.712   10.850   64.679   17.222   66.989   25.319 -2.310074 30.62100 
1 1 1   14   14   40 o  105.057   16.299   34.066   8.4373   47.941   10.837   12.707   13.445  138.079   16.793   72.035   27.940 66.04388 32.59806 
1 1 1   14   14   41 o   78.502   16.544   14.966   7.1352   5.5799   9.2724   28.593   11.173   56.127   22.735  100.877   24.039 -44.75071 33.08722 
1 1 1   14   14   42 o  175.645   22.455  104.498   16.068  122.010   19.790   70.619   27.526  215.154   19.681  136.137   40.368 79.01746 44.91046 
1 1 1   14   14   43 o  138.807   11.797   42.562   6.5199   37.148   7.3169   63.431   14.365  122.779   12.752  154.836   19.852 -32.05691 23.59449 
1 1 1   14   14   44 o  146.155   13.180   50.235   8.0539   43.912   9.2798   69.538   16.214  132.103   15.031  160.207   21.655 -28.10426 26.36003 
1 1 1   14   14   45 o   49.963   15.902  -2.0928   8.1776 -11.2440   12.647   4.4817   10.720   44.606   21.350   55.320   23.574 -10.71404 31.80459 
1 1 1   14   14   46 o   86.218   15.952   19.826   6.1910   19.826   6.1910   0.0000   0.0000   86.218   15.952  ?   ?       ?      ? 
1 1 1   14   14   47 o  118.549   29.967   47.395   16.612   0.0000   0.0000   47.395   16.612  ?   ?   118.549   29.967      ?      ? 
1 1 1   14   14   48 o   84.363   15.325   20.434   5.3215   20.255   5.9265   21.179   12.090   88.879   14.268   79.847   27.126 9.031296 30.64979 
1 1 1   14   14   49 o   67.265   15.111   14.176   4.9836   14.786   5.5264   11.525   11.531   72.703   16.626   61.827   25.237 10.87675 30.22122 
1 1 1   14   14   50 o   43.679   12.916   3.7006   4.0240   5.1033   4.3658  -4.2200   10.374   44.648   16.207   42.710   20.116 1.937828 25.83258 
1 1 1   14   14   51 o   49.379   13.938   6.3639   4.4819   7.2861   4.9465   2.1341   10.593   50.619   17.350   48.140   21.819 2.478733 27.87656 
1 1 1   14   14   52 o   34.374   11.469  -4.3895   3.6597  -6.2180   4.1039   2.7114   8.0875   23.630   11.513   45.118   19.840 -21.48783 22.93817 
1 1 1   14   14   53 o   60.203   17.675   10.672   8.3550   23.912   13.367   2.1842   10.703   73.317   28.009   47.089   21.567 26.22775 35.35017 
1 1 1   14   14   54 o   42.565   17.354   4.3392   5.4445   4.3392   5.4445   0.0000   0.0000   42.565   17.354  ?   ?       ?      ? 
1 1 1   14   15    0 o   89.023   18.061   23.107   9.2141   23.107   9.2141   23.107   9.2141   89.023   25.543   89.023   25.543 -0.000000 0.000000 
1 1 1   14   15    1 o  117.422   14.244   36.413   6.8539   39.816   8.3075   29.161   12.129  129.033   13.776  105.811   24.936 23.22188 28.48798 
1 1 1   14   15    2 o  211.720   16.137  109.685   15.068  106.085   18.384  117.053   26.301  208.538   18.863  214.902   26.187 -6.363678 32.27373 
1 1 1   14   15    3 o  147.771   12.733   50.658   8.3594   45.767   10.146   60.992   14.749  137.848   15.750  157.695   20.013 -19.84711 25.46678 
1 1 1   14   15    4 o  212.415   13.070  110.220   12.914   98.564   18.289  121.809   18.237  200.695   19.499  224.136   17.410 -23.44135 26.14034 
1 1 1   14   15    5 o   43.978   11.954   3.1673   3.3403   2.7431   4.1627   3.9343   5.5975   40.580   15.599   47.375   18.118 -6.794800 23.90836 
1 1 1   14   15    6 o   52.470   10.518   6.1819   2.8670   10.514   4.3736   2.9177   3.7966   64.971   14.742   39.970   15.005 25.00064 21.03509 
1 1 1   14   15    7 f  137.551   9.6768   46.305   5.9617   41.018   9.6041   49.619   7.6041  130.508   15.746  144.594   11.253 -14.08594 19.35357 
1 1 1   14   15    8 o  172.749   14.148   74.304   9.7033   75.493   11.185   70.686   19.507  177.789   13.462  167.710   24.888 10.07852 28.29550 
1 1 1   14   15    9 o  193.939   16.171   98.954   12.126  104.497   14.002   82.337   24.245  208.921   14.341  178.957   28.989 29.96445 32.34251 
1 1 1   14   15   10 o  139.769   15.672   54.657   8.7231   65.040   10.755   34.702   14.911  164.958   13.951  114.580   28.068 50.37778 31.34402 
1 1 1   14   15   11 o  209.147   16.675  109.647   15.266  111.393   18.732  106.195   26.345  213.997   18.730  204.296   27.593 9.701263 33.34902 
1 1 1   14   15   12 o  266.970   19.544  176.798   23.200  166.552   28.418  197.273   40.173  258.717   23.503  275.223   31.233 -16.50601 39.08805 
1 1 1   14   15   13 o  125.334   12.973   36.965   7.2943   34.042   8.9823   42.624   12.500  118.840   16.173  131.828   20.289 -12.98787 25.94571 
1 1 1   14   15   14 o  122.606   25.187   39.035   13.949   39.035   13.949   0.0000   0.0000  122.606   25.187  ?   ?       ?      ? 
1 1 1   14   15   15 o  265.024   34.812  190.315   43.118   0.0000   0.0000  190.315   43.118  ?   ?   265.024   34.812      ?      ? 
1 1 1   14   15   16 o  140.961   23.349   49.920   15.382   0.0000   0.0000   49.920   15.382  ?   ?   140.961   23.349      ?      ? 
1 1 1   14   15   17 f  105.679   17.450   29.280   8.4481   31.030   12.403   27.766   11.539  108.548   24.969  102.810   24.384 5.737595 34.90020 
1 1 1   14   15   18 o   75.893   15.657   15.349   5.8362   17.310   7.0150   10.941   10.519   82.441   18.644   69.345   25.159 13.09575 31.31416 
1 1 1   14   15   19 o   69.012   15.259   12.156   5.4058   13.397   6.6672   9.7760   9.2358   72.395   19.339   65.630   23.608 6.765007 30.51817 
1 1 1   14   15   20 o  103.439   17.031   26.093   8.2334   26.093   8.2334   0.0000   0.0000  103.439   17.031  ?   ?       ?      ? 
1 1 1   14   15   21 o  149.033   15.701   57.235   9.8425   59.180   12.044   53.322   17.079  156.021   16.517  142.044   26.708 13.97633 31.40234 
1 1 1   14   15   22 o   80.612   16.111   16.370   6.0681   15.441   7.4055   18.269   10.586   77.553   20.223   83.672   25.086 -6.119316 32.22212 
1 1 1   14   15   23 o  161.452   17.251   66.127   13.000   62.506   17.850   70.217   18.970  156.778   24.361  166.126   24.433 -9.348633 34.50294 
1 1 1   14   15   24 o  228.082   18.072  129.954   18.303  122.776   22.405  144.356   31.735  221.699   21.624  234.465   28.962 -12.76561 36.14355 
1 1 1   14   15   25 o  211.891   13.984  111.222   13.758   97.254   19.440  125.236   19.473  197.772   21.032  226.009   18.436 -28.23708 27.96839 
1 1 1   14   15   26 o  327.637   19.372  281.052   29.146  226.676   41.202  335.516   41.235  292.111   30.181  363.163   24.295 -71.05252 38.74462 
1 1 1   14   15   27 o  152.321   12.091   57.172   8.5598   51.823   12.299   62.197   11.921  144.918   18.160  159.724   15.969 -14.80643 24.18245 
1 1 1   14   15   28 o   95.853   13.425   23.799   5.8525   16.549   8.3585   30.772   8.1972   79.415   21.840  112.290   15.620 -32.87424 26.85059 
1 1 1   14   15   29 o   87.307   13.453   19.123   5.5016   26.261   8.0964   12.999   7.4987  103.528   16.734   71.085   21.068 32.44345 26.90501 
1 1 1   14   15   30 o  161.137   15.354   66.024   10.882   64.103   18.587   67.026   13.423  157.170   25.305  165.104   17.396 -7.934097 30.70757 
1 1 1   14   15   31 o  149.913   16.069   59.140   10.231   54.723   17.368   61.488   12.661  141.923   27.174  157.903   17.157 -15.98029 32.13732 
1 1 1   14   15   32 o   78.670   20.222   16.222   7.4758   0.0000   0.0000   16.222   7.4758  ?   ?    78.670   20.222      ?      ? 
1 1 1   14   15   33 o  119.272   18.196   41.342   8.7833   32.340   17.657   44.302   10.125  104.515   32.606  134.030   16.164 -29.51547 36.39291 
1 1 1   14   15   34 o   84.234   17.048   15.205   6.2481   29.837   13.223   10.999   7.0895  103.058   27.095   65.409   20.698 37.64903 34.09629 
1 1 1   14   15   35 o  130.161   20.468   48.976   11.962   45.192   18.907   51.501   15.446  122.680   32.469  137.641   24.929 -14.96136 40.93548 
1 1 1   14   15   36 o   74.561   13.216   12.268   3.8360   10.640   4.2578   19.285   8.8403   64.700   14.446   84.422   22.135 -19.72143 26.43183 
1 1 1   14   15   37 o   75.819   13.541   15.062   4.3033   15.361   4.8631   13.983   9.2384   79.364   13.111   72.274   23.695 7.090141 27.08106 
1 1 1   14   15   38 o   62.305   16.941   8.4332   6.8677   7.0679   8.9806   10.356   10.658   58.496   22.794   66.113   25.069 -7.616924 33.88221 
1 1 1   14   15   39 o  154.070   16.311   63.262   8.8598   62.936   9.8948   64.581   19.898  160.309   13.207  147.832   29.829 12.47693 32.62203 
1 1 1   14   15   40 o  108.145   30.925   36.715   16.416   36.715   16.416   0.0000   0.0000  108.145   30.925  ?   ?       ?      ? 
1 1 1   14   15   41 o   49.270   15.385   0.3361   6.9213   2.8163   8.6710  -4.0191   11.490   50.219   21.294   48.321   22.210 1.897346 30.76918 
1 1 1   14   15   42 o   45.089   14.783  -4.2526   6.8081  -3.9809   8.1163  -4.8976   12.505   40.502   18.635   49.676   22.954 -9.173954 29.56642 
1 1 1   14   15   43 o   76.596   18.688   16.989   7.8233   16.578   9.5000   17.856   13.790   75.793   23.957   77.400   28.687 -1.607384 37.37508 
1 1 1   14   15   44 o  136.406   15.514   50.937   8.1106   49.814   9.3086   54.477   16.528  140.348   14.192  132.464   27.593 7.884354 31.02890 
1 1 1   14   15   45 o  103.753   13.628   22.838   5.7175   15.878   6.4445   48.573   12.391   75.312   18.454  132.195   20.057 -56.88321 27.25503 
1 1 1   14   15   46 o   42.699   12.842   2.4103   3.7836   3.0283   4.1643  -0.5136   9.0582   39.793   15.517   45.605   20.466 -5.811829 25.68331 
1 1 1   14   15   47 o   59.760   15.556   8.5435   4.7678   7.2653   5.3000   13.966   10.916   52.193   17.956   67.327   25.409 -15.13408 31.11291 
1 1 1   14   15   48 o   35.909   11.730  -1.2296   3.4270  -1.4738   3.7519   0.0002   8.4193   28.402   12.916   43.415   19.585 -15.01205 23.46043 
1 1 1   14   15   49 o   70.491   18.987   18.684   9.3320   10.154   14.786   24.332   12.031   60.228   26.639   80.754   27.062 -20.52690 37.97348 
1 1 1   14   15   50 o   64.771   15.248   13.138   4.8702   12.955   5.4121   13.916   11.166   66.558   17.255   62.984   25.146 3.574089 30.49670 
1 1 1   14   15   51 o   58.703   14.848   10.312   4.7533   9.5717   5.5192   12.438   9.3528   56.534   18.302   60.873   23.387 -4.339062 29.69696 
1 1 1   14   15   52 o   56.087   17.293   9.7801   8.3667   13.761   13.222   7.1216   10.805   60.048   25.895   52.127   22.927 7.921558 34.58603 
1 1 1   14   16    0 o  180.707   10.814   78.941   12.703   78.941   12.703   78.941   12.703  180.707   15.293  180.707   15.293 -0.000000 0.000000 
1 1 1   14   16    1 o  248.090   21.031  151.248   24.384  151.248   24.384   0.0000   0.0000  248.090   21.031  ?   ?       ?      ? 
1 1 1   14   16    2 o  148.599   15.141   52.980   10.515   52.980   10.515   0.0000   0.0000  148.599   15.141  ?   ?       ?      ? 
1 1 1   14   16    3 o  202.351   16.180  104.433   14.170  110.461   17.431   92.691   24.329  213.649   17.457  191.052   27.248 22.59717 32.36073 
1 1 1   14   16    4 o  212.500   16.375  111.350   15.403  109.667   18.944  114.632   26.459  212.152   19.106  212.848   26.599 -0.6960754 32.75015 
1 1 1   14   16    5 o  120.855   11.893   34.687   6.4634   33.207   8.0357   37.400   10.878  117.742   14.603  123.968   18.775 -6.226028 23.78586 
1 1 1   14   16    6 o  170.598   10.275   69.324   8.0176   71.603   12.801   67.852   10.285  172.488   15.880  168.709   13.044 3.779602 20.55045 
1 1 1   14   16    7 o  165.507   10.866   66.864   8.1175   61.426   12.984   70.353   10.401  159.232   17.448  171.782   12.955 -12.55055 21.73183 
1 1 1   14   16    8 o  224.584   13.450  123.081   14.111  128.302   20.142  118.049   19.775  229.376   18.789  219.792   19.251 9.583954 26.90084 
1 1 1   14   16    9 o  167.665   14.206   66.187   10.776   58.353   13.367   80.725   18.210  154.712   18.487  180.617   21.573 -25.90535 28.41102 
1 1 1   14   16   10 o  217.108   19.336  115.533   19.620  115.533   19.620   0.0000   0.0000  217.108   19.336  ?   ?       ?      ? 
1 1 1   14   16   11 o  218.277   28.761  123.786   29.339  123.786   29.339   0.0000   0.0000  218.277   28.761  ?   ?       ?      ? 
1 1 1   14   16   12 o  154.220   24.045   60.070   17.331   60.070   17.331   0.0000   0.0000  154.220   24.045  ?   ?       ?      ? 
1 1 1   14   16   13 o  191.922   18.394   94.766   16.264  113.714   23.322   76.828   22.692  212.232   23.513  171.612   28.293 40.62068 36.78822 
1 1 1   14   16   15 o  167.930   17.524   72.228   13.709   76.890   19.161   67.339   19.621  174.199   23.536  161.660   25.970 12.53973 35.04817 
1 1 1   14   16   16 o  206.599   17.148  108.468   15.514  108.216   18.971  108.978   26.954  209.294   19.395  203.904   28.285 5.389420 34.29569 
1 1 1   14   16   17 o  239.540   15.171  143.335   16.971  150.057   24.089  136.712   23.913  245.440   21.001  233.640   21.900 11.79961 30.34201 
1 1 1   14   16   18 o  150.656   11.934   56.016   8.2212   43.452   11.676   68.371   11.578  132.935   18.793  168.376   14.713 -35.44170 23.86760 
1 1 1   14   16   19 f   99.181   12.522   24.432   5.6655   22.162   7.9810   26.737   8.0439   93.462   18.921  104.899   16.408 -11.43751 25.04419 
1 1 1   14   16   20 o  122.024   11.536   36.221   6.4849   28.859   8.9790   44.249   9.3760  108.632   17.686  135.416   14.815 -26.78363 23.07115 
1 1 1   14   16   21 o  158.123   12.036   60.919   8.8856   57.405   12.457   64.560   12.679  153.342   17.382  162.904   16.653 -9.561768 24.07187 
1 1 1   14   16   22 o  234.269   15.162  136.973   16.551  125.008   23.320  149.117   23.494  223.316   22.344  245.222   20.500 -21.90523 30.32325 
1 1 1   14   16   23 o  158.608   12.517   61.752   9.2004   70.625   13.019   52.899   13.004  170.561   16.332  146.656   18.973 23.90523 25.03423 
1 1 1   14   16   24 o  158.137   12.266   61.209   9.0550   57.699   12.760   64.770   12.852  153.381   17.800  162.894   16.882 -9.513763 24.53270 
1 1 1   14   16   25 o  217.634   14.430  118.800   14.675  116.425   20.707  121.196   20.801  215.325   20.576  219.943   20.236 -4.618225 28.85996 
1 1 1   14   16   26 o  282.876   18.358  210.027   24.206  194.050   34.183  226.098   34.283  270.806   27.009  294.946   24.871 -24.14084 36.71584 
1 1 1   14   16   27 o  124.102   14.068   40.567   7.4074   62.425   10.689   20.375   10.274  160.667   14.236   87.537   24.269 73.13004 28.13629 
1 1 1   14   16   28 o  157.084   12.312   60.680   9.0297   64.220   12.872   57.250   12.670  161.766   17.027  152.402   17.788 9.363495 24.62383 
1 1 1   14   16   29 o  126.257   13.408   41.368   7.3495   54.321   10.315   28.014   10.474  149.427   14.771  103.088   22.382 46.33916 26.81644 
1 1 1   14   16   30 o   55.932   14.244   6.7456   5.1820  -0.8693   8.8531   10.714   6.3912   47.188   20.754   64.676   19.515 -17.48864 28.48739 
1 1 1   14   16   31 o  127.144   17.435   40.197   10.360   0.0000   0.0000   40.197   10.360  ?   ?   127.144   17.435      ?      ? 
1 1 1   14   16   32 o  106.476   17.193   30.086   7.8088   31.126   14.830   29.687   9.1853  104.056   29.268  108.896   18.048 -4.839684 34.38544 
1 1 1   14   16   33 o  141.218   20.855   60.235   13.775   33.172   20.327   83.214   18.731  103.655   35.174  178.780   22.418 -75.12513 41.71067 
1 1 1   14   16   34 o   57.386   14.867   6.6673   5.7492   12.031   7.5289  -0.8345   8.9041   67.792   21.315   46.980   20.731 20.81167 29.73410 
1 1 1   14   16   35 o   54.535   14.369   2.8595   5.9503  -8.3913   8.5507   13.423   8.2855   38.104   18.042   70.966   22.367 -32.86197 28.73705 
1 1 1   14   16   36 o   98.311   14.645   26.780   6.5774   18.474   10.018   33.074   8.7201   81.531   24.394  115.090   16.212 -33.55977 29.29008 
1 1 1   14   16   37 o   70.273   13.037   13.639   4.1773   14.921   4.9453   10.447   7.8044   76.755   14.313   63.792   21.794 12.96294 26.07366 
1 1 1   14   16   38 o   36.326   10.817   1.0550   3.0448   2.9027   3.3901  -6.6525   6.9240   38.119   14.205   34.533   16.316 3.585747 21.63322 
1 1 1   14   16   39 o   52.309   16.365  -0.4226   7.1353  -3.1004   8.4327   6.3275   13.389   42.324   19.293   62.293   26.440 -19.96940 32.73003 
1 1 1   14   16   40 o  157.941   20.788   79.174   13.506   86.017   16.388   64.684   23.846  180.688   19.407  135.195   36.768 45.49287 41.57543 
1 1 1   14   16   41 o   73.263   18.734   14.281   7.6988   12.587   9.1687   18.330   14.176   67.873   23.602   78.652   29.099 -10.77982 37.46712 
1 1 1   14   16   42 o  102.149   18.289   27.591   8.1345   21.419   9.5824   43.510   15.390   85.834   23.293  118.463   28.203 -32.62879 36.57840 
1 1 1   14   16   43 o   65.265   16.240   11.565   5.1745   11.644   5.5992   11.104   13.544   64.982   17.877   65.549   27.117 -0.5669479 32.47970 
1 1 1   14   16   44 o  107.248   17.030   34.971   6.8787   35.145   7.6222   34.207   15.968  117.446   13.887   97.050   31.100 20.39576 34.05988 
1 1 1   14   16   45 o   43.817   14.182  -6.5615   3.5577  -8.3552   3.7183   12.878   12.241   20.515   10.178   67.119   26.475 -46.60403 28.36402 
1 1 1   14   16   46 o   50.825   16.123   1.3371   8.1462   5.6871   10.692  -4.6812   12.577   54.440   23.380   47.210   22.209 7.229618 32.24687 
1 1 1   14   16   47 o   36.614   15.262   1.8109   4.3370   1.8109   4.3370   0.0000   0.0000   36.614   15.262  ?   ?       ?      ? 
1 1 1   14   16   48 o   37.921   12.377   0.1259   3.6474   0.6940   3.8770  -4.2500   10.760   32.696   14.061   43.145   20.372 -10.44912 24.75299 
1 1 1   14   16   49 o   53.467   14.854   6.3382   4.3423   4.7218   4.7806   13.961   10.382   43.715   16.738   63.219   24.543 -19.50372 29.70705 
1 1 1   14   16   50 o   51.949   14.232   5.2447   4.1776   2.7946   4.6900   14.656   9.1918   39.024   16.031   64.874   23.521 -25.84947 28.46481 
1 1 1   14   16   51 o   50.641   14.477   7.2102   4.7602   7.0848   5.3554   7.6821   10.389   49.057   17.928   52.225   22.736 -3.168110 28.95462 
1 1 1   14   17    0 o   94.944   11.207   23.051   6.4433   23.051   6.4433   23.051   6.4433   94.944   15.849   94.944   15.849 -0.000000 0.000000 
1 1 1   14   17    1 o  156.001   9.0382   58.363   6.5498   51.216   9.2723   65.481   9.2534  146.214   13.569  165.788   11.943 -19.57335 18.07635 
1 1 1   14   17    2 o  179.209   14.950   82.829   10.489   86.034   12.108   73.194   20.996  189.459   13.675  168.960   26.590 20.49911 29.90020 
1 1 1   14   17    3 o  178.513   10.477   74.613   8.6058   64.927   11.050   89.541   13.719  164.349   14.387  192.677   15.235 -28.32808 20.95449 
1 1 1   14   17    4 o   80.498   10.468   16.618   3.6704   18.861   4.6965   13.099   5.8830   89.050   11.285   71.947   17.633 17.10336 20.93523 
1 1 1   14   17    5 o  101.396   8.2381   24.605   3.8728   21.086   5.4739   28.132   5.4800   93.964   12.465  108.829   10.775 -14.86487 16.47628 
1 1 1   14   17    6 o  240.750   13.067  140.951   14.425  148.184   22.928  136.213   18.558  244.825   20.038  236.674   16.778 8.150543 26.13471 
1 1 1   14   17    7 o  204.172   12.163  101.882   11.314  100.508   18.030  102.776   14.532  202.044   19.094  206.300   15.073 -4.255219 24.32624 
1 1 1   14   17    8 o  185.841   10.820   83.931   9.1313   81.679   14.630   85.367   11.687  183.006   17.105  188.676   13.254 -5.670883 21.63956 
1 1 1   14   17    9 o  124.245   11.718   36.873   5.7344   38.889   11.997   36.276   6.5285  125.084   20.522  123.406   11.320 1.678673 23.43656 
1 1 1   14   17   10 o  130.548   12.465   40.753   6.5319   43.631   13.337   39.845   7.4920  132.023   21.615  129.072   12.420 2.951569 24.92956 
1 1 1   14   17   11 o  155.603   13.650   57.783   9.3213   65.791   16.677   54.144   11.241  161.910   22.040  149.296   16.111 12.61356 27.30046 
1 1 1   14   17   12 o  146.933   16.519   58.901   9.7276   46.155   17.380   64.715   11.738  130.335   29.252  163.532   15.359 -33.19766 33.03890 
1 1 1   14   17   13 o   48.548   11.941   5.0707   3.6577  -1.1743   6.4257   8.0643   4.4489   40.243   17.690   56.854   16.044 -16.61139 23.88237 
1 1 1   14   17   14 o  199.356   16.336  101.608   14.201   95.560   24.424  104.698   17.455  191.973   27.223  206.738   18.066 -14.76572 32.67172 
1 1 1   14   17   15 o  208.640   13.155  108.008   12.551  133.400   17.836   83.103   17.664  234.382   16.283  182.898   20.665 51.48347 26.30943 
1 1 1   14   17   16 o   88.845   13.510   20.221   5.4040   21.657   6.8851   17.917   8.7212   94.581   15.576   83.110   22.079 11.47046 27.02032 
1 1 1   14   17   17 o   81.345   12.461   16.707   4.7228   11.889   6.7073   21.446   6.6512   68.476   19.823   94.215   15.106 -25.73911 24.92217 
1 1 1   14   17   18 o  125.780   11.610   38.447   6.7781   44.368   9.7507   32.911   9.4288  135.442   15.404  116.117   17.375 19.32484 23.22001 
1 1 1   14   17   19 o  199.241   19.994  112.198   15.904  127.599   19.540   81.970   27.375  228.179   18.324  170.302   35.543 57.87666 39.98851 
1 1 1   14   17   20 o   58.644   13.536   8.2227   4.2810   7.0697   5.9606   9.4513   6.1526   55.448   19.044   61.841   19.240 -6.393116 27.07125 
1 1 1   14   17   21 f   47.318   12.651   2.3702   4.2724  -3.0615   5.9067   8.3300   6.1872   35.785   16.248   58.850   19.396 -23.06461 25.30242 
1 1 1   14   17   22 o   46.102   12.943   3.0994   4.2052   4.4927   5.6866   1.4181   6.2468   48.485   18.329   43.720   18.278 4.765232 25.88502 
1 1 1   14   17   23 o   81.715   13.921   17.337   5.2698   19.294   7.4281   15.354   7.4774   86.623   18.882   76.808   20.463 9.815468 27.84299 
1 1 1   14   17   24 o  131.896   15.204   44.970   8.5471   46.079   10.536   42.834   14.617  137.201   16.431  126.591   25.587 10.60986 30.40866 
1 1 1   14   17   25 o  204.089   16.656  103.776   15.170   97.381   18.648  116.288   26.084  197.366   20.217  210.813   26.475 -13.44704 33.31180 
1 1 1   14   17   26 o  225.018   14.422  127.304   15.088  112.984   21.276  141.788   21.398  211.370   21.538  238.666   19.184 -27.29648 28.84342 
1 1 1   14   17   27 o  105.758   13.491   29.177   6.3205   16.762   8.8053   42.373   9.0779   79.586   22.611  131.930   14.723 -52.34422 26.98211 
1 1 1   14   17   28 o  229.167   15.069  134.089   16.139  135.671   22.933  132.538   22.717  230.529   21.286  227.805   21.337 2.724350 30.13885 
1 1 1   14   17   29 o  101.169   19.813   26.605   9.0328   0.0000   0.0000   26.605   9.0328  ?   ?   101.169   19.813      ?      ? 
1 1 1   14   17   30 o   40.355   17.449  -0.0056   6.0361   0.0000   0.0000  -0.0056   6.0361  ?   ?    40.355   17.449      ?      ? 
1 1 1   14   17   31 o   88.822   18.751   22.051   8.3613   21.525   12.504   22.476   11.245   87.630   27.455   90.014   25.545 -2.383896 37.50148 
1 1 1   14   17   32 o  153.656   19.305   78.726   12.020  102.267   14.844   33.893   20.485  203.384   15.617  103.927   35.310 99.45757 38.60975 
1 1 1   14   17   33 o  121.152   16.506   40.710   8.7867   44.816   11.227   34.219   14.117  133.190   18.036  109.115   27.649 24.07541 33.01102 
1 1 1   14   17   34 f   62.879   14.226   7.8496   5.3443   18.305   8.2839   0.3955   6.9946   82.261   21.359   43.497   18.796 38.76416 28.45122 
1 1 1   14   17   35 o   45.926   13.746   1.7388   5.0373   0.5909   8.0201   2.4867   6.4736   46.360   20.080   45.492   18.778 0.8676987 27.49162 
1 1 1   14   17   36 o   60.108   11.331   6.1982   3.1253   2.7337   3.5682   17.611   6.4764   38.133   14.494   82.083   17.421 -43.94997 22.66236 
1 1 1   14   17   37 o   92.394   14.714   23.164   6.1682   25.105   9.3153   21.648   8.2312   95.533   21.396   89.255   20.203 6.278130 29.42729 
1 1 1   14   17   38 o   77.817   12.529   14.779   4.1709   12.436   4.9595   20.440   7.7089   68.906   15.745   86.727   19.494 -17.82048 25.05800 
1 1 1   14   17   39 o   59.290   12.911   8.6013   3.6896   7.3224   4.4161   11.558   6.7146   53.242   16.256   65.337   20.062 -12.09447 25.82164 
1 1 1   14   17   40 o   55.546   15.314  -0.0599   3.2653  -1.5455   3.3750   21.683   12.912   27.236   12.333   83.855   28.036 -56.61926 30.62824 
1 1 1   14   17   41 o  175.630   16.262   78.755   12.658   59.122   15.286  121.600   22.581  144.844   22.581  206.416   23.408 -61.57170 32.52415 
1 1 1   14   17   42 o   58.873   17.844   6.8229   8.7505   7.0178   12.982   6.6606   11.846   59.652   25.692   58.094   24.769 1.557865 35.68727 
1 1 1   14   17   43 o  123.339   18.235   50.101   8.4018   52.576   9.4092   40.363   18.663  143.814   13.999  102.865   33.676 40.94949 36.47033 
1 1 1   14   17   44 o  107.424   21.173   41.628   11.664   51.543   15.784   29.699   17.313  126.638   27.461   88.209   32.236 38.42893 42.34631 
1 1 1   14   17   45 o  105.788   15.032   29.591   7.4317   29.591   7.4317   0.0000   0.0000  105.788   15.032  ?   ?       ?      ? 
1 1 1   14   17   46 o   37.304   12.484  -1.2230   4.0441  -0.0148   4.2606 -12.2088   12.848   32.717   14.393   41.890   20.401 -9.172276 24.96721 
1 1 1   14   17   47 o   74.259   14.921   19.615   5.5917   21.423   6.1040   10.177   13.944   89.406   14.608   59.112   26.021 30.29350 29.84120 
1 1 1   14   17   48 o   38.950   12.653   0.5711   4.0576   1.7267   4.3043  -8.6535   12.161   35.919   15.104   41.981   20.304 -6.062084 25.30616 
1 1 1   14   17   49 o   68.989   28.299   20.637   14.588   20.637   14.588   0.0000   0.0000   68.989   28.299  ?   ?       ?      ? 
1 1 1   14   17   50 o   52.549   23.952   7.1594   12.995   7.1594   12.995   0.0000   0.0000   52.549   23.952  ?   ?       ?      ? 
1 1 1   14   18    0 o  116.381   8.6039   33.013   6.4525   33.013   6.4525   33.013   6.4525  116.381   12.168  116.381   12.168 -0.000000 0.000000 
1 1 1   14   18    1 o  309.014   17.623  251.614   24.250  279.880   31.341  209.447   38.280  336.107   19.952  281.921   29.054 54.18610 35.24511 
1 1 1   14   18    2 o  144.978   9.5753   49.209   6.3945   43.208   8.2351   58.322   10.148  134.244   13.126  155.712   13.945 -21.46777 19.15061 
1 1 1   14   18    3 o  270.716   15.267  186.969   18.628  165.755   29.398  201.201   24.080  254.895   24.678  286.536   17.982 -31.64040 30.53436 
1 1 1   14   18    4 o  214.411   19.494  129.348   15.237  138.536   17.596  101.807   30.466  239.076   15.748  189.745   35.665 49.33144 38.98702 
1 1 1   14   18    5 o  366.553   26.379  365.052   38.947  351.391   44.956  406.151   77.976  369.518   26.032  363.588   45.889 5.929260 52.75842 
1 1 1   14   18    6 o  247.031   13.641  150.610   15.419  151.139   19.939  149.824   24.317  248.936   17.139  245.125   21.227 3.811142 27.28210 
1 1 1   14   18    7 o  277.104   15.872  194.064   20.001  186.507   31.709  199.058   25.776  270.170   25.113  284.038   19.417 -13.86816 31.74433 
1 1 1   14   18    8 o  247.419   14.342  154.151   16.050  140.297   25.374  163.391   20.722  235.966   23.009  258.872   17.128 -22.90559 28.68409 
1 1 1   14   18    9 o  227.871   20.986  144.365   19.436  117.756   33.716  157.610   23.787  203.512   36.804  252.230   20.179 -48.71822 41.97255 
1 1 1   14   18   10 o  308.595   29.429  288.141   36.590  241.411   63.428  311.449   44.795  271.234   51.929  345.957   27.706 -74.72296 58.85735 
1 1 1   14   18   11 o  131.136   10.739   41.685   6.5578   39.506   9.5101   43.660   9.0550  127.638   15.943  134.634   14.391 -6.995865 21.47719 
1 1 1   14   18   12 o  119.158   10.562   32.491   5.1489   38.105   10.463   30.697   5.9146  124.744   17.947  113.571   11.143 11.17294 21.12495 
1 1 1   14   18   13 o   76.857   10.856   12.279   2.9509   18.537   7.4883   11.129   3.2107   85.212   19.257   68.503   10.029 16.70885 21.71184 
1 1 1   14   18   14 o  230.209   14.084  131.420   15.088  118.726   21.414  143.933   21.260  218.447   20.976  241.972   18.800 -23.52510 28.16793 
1 1 1   14   18   15 o  264.244   16.327  175.855   20.145  184.180   28.528  167.575   28.452  270.939   22.530  257.548   23.638 13.39136 32.65480 
1 1 1   14   18   16 o  175.841   12.148   75.416   9.9725   72.194   14.179   78.571   14.029  171.922   17.647  179.761   16.699 -7.839706 24.29519 
1 1 1   14   18   17 o  117.092   14.909   39.239   7.2899   49.938   9.2291   21.490   11.887  144.168   13.698   90.017   26.485 54.15188 29.81746 
1 1 1   14   18   18 o  167.960   11.994   69.034   9.3683   77.761   13.405   60.701   13.098  178.738   16.047  157.182   17.831 21.55542 23.98835 
1 1 1   14   18   19 o  196.656   13.521   96.294   12.405  102.604   17.551   89.995   17.536  203.510   18.453  189.801   19.769 13.70950 27.04294 
1 1 1   14   18   20 o   95.046   14.324   20.660   6.2267   12.874   7.6877   35.511   10.617   70.686   21.419  119.407   19.026 -48.72031 28.64884 
1 1 1   14   18   21 o   40.586   12.204  -0.0806   4.1671   2.8442   5.9264  -2.9408   5.8605   45.496   18.264   35.677   16.193 9.819855 24.40890 
1 1 1   14   18   22 o  127.712   11.985   40.393   7.0401   32.799   10.021   47.794   9.8929  115.112   18.627  140.313   15.086 -25.20148 23.96975 
1 1 1   14   18   23 o   80.818   15.777   17.402   6.0871   18.695   7.6423   15.157   10.068   85.088   19.619   76.549   24.712 8.538368 31.55337 
1 1 1   14   18   24 o  119.633   12.223   35.343   6.8307   34.372   9.6989   36.298   9.6217  117.884   17.604  121.382   16.961 -3.498260 24.44576 
1 1 1   14   18   25 o  154.291   12.309   59.014   8.8675   62.039   12.590   56.037   12.492  158.417   17.005  150.166   17.799 8.250610 24.61709 
1 1 1   14   18   26 o  137.732   19.260   52.219   11.926   52.954   17.589   51.594   16.226  137.869   28.248  137.595   26.189 0.2743225 38.52003 
1 1 1   14   18   27 o  182.835   16.734   85.064   13.482   95.386   23.741   80.150   16.380  187.764   27.054  177.907   19.701 9.857742 33.46722 
1 1 1   14   18   28 o  128.467   17.612   41.223   10.574   0.0000   0.0000   41.223   10.574  ?   ?   128.467   17.612      ?      ? 
1 1 1   14   18   29 o   82.037   25.589   18.480   10.875   0.0000   0.0000   18.480   10.875  ?   ?    82.037   25.589      ?      ? 
1 1 1   14   18   30 o  112.405   15.939   42.855   8.8032   61.112   10.798   6.6659   15.202  157.699   14.651   67.111   28.311 90.58801 31.87768 
1 1 1   14   18   31 f  141.135   15.069   49.437   9.6771   41.530   12.111   63.399   16.093  126.841   20.431  155.428   22.155 -28.58762 30.13745 
1 1 1   14   18   32 o   73.998   14.129   14.813   5.6247   5.2586   8.3390   22.787   7.6187   54.393   21.725   93.603   18.070 -39.21026 28.25824 
1 1 1   14   18   33 o  113.253   13.625   32.889   6.8627   45.639   10.323   22.792   9.1864  134.982   16.364   91.524   21.790 43.45763 27.25080 
1 1 1   14   18   34 o   62.714   16.199   9.0485   6.2807   5.4686   8.4397   13.492   9.4024   54.657   21.847   70.772   23.923 -16.11523 32.39755 
1 1 1   14   18   35 o   78.107   13.474   17.488   5.8253   3.3917   9.1358   27.145   7.5620   52.282   21.996  103.933   15.568 -51.65038 26.94779 
1 1 1   14   18   36 o  174.981   11.099   79.324   8.7429   86.821   11.369   68.475   13.676  187.479   12.976  162.483   18.010 24.99580 22.19798 
1 1 1   14   18   37 f   80.222   10.703   14.544   3.7958   8.7731   4.6446   26.149   6.5868   57.828   16.419  102.617   13.734 -44.78962 21.40627 
1 1 1   14   18   38 o   75.414   12.210   15.133   4.1430   15.221   5.3261   14.998   6.5926   76.520   15.426   74.308   18.930 2.212029 24.41963 
1 1 1   14   18   39 o   57.823   14.410   7.5670   4.8186   13.322   8.0091   4.3019   6.0326   68.572   22.032   47.073   18.580 21.49859 28.82040 
1 1 1   14   18   40 o  142.062   12.485   53.357   8.2389   61.970   12.227   46.194   11.151  153.024   17.097  131.100   18.199 21.92346 24.96993 
1 1 1   14   18   41 o   70.426   17.853   13.980   6.8310   11.983   7.9920   19.394   13.160   64.363   22.054   76.490   28.082 -12.12730 35.70664 
1 1 1   14   18   42 o  107.585   18.077   31.994   8.2747   26.095   9.7222   47.498   15.762   94.180   22.413  120.990   28.368 -26.81042 36.15332 
1 1 1   14   18   43 o   58.398   24.236   8.5705   10.869   8.5705   10.869   0.0000   0.0000   58.398   24.236  ?   ?       ?      ? 
1 1 1   14   18   44 o   63.866   18.103   11.865   5.6508   11.865   5.6508   0.0000   0.0000   63.866   18.103  ?   ?       ?      ? 
1 1 1   14   18   45 f   65.677   13.262   15.447   5.0729   18.576   5.4405  -5.3907   14.039   84.004   13.858   47.350   22.617 36.65389 26.52458 
1 1 1   14   18   46 o   49.950   13.390   7.0474   4.6923   9.7941   5.1454  -6.5209   11.436   57.656   17.535   42.244   20.241 15.41214 26.77994 
1 1 1   14   18   47 o   71.239   20.055   21.405   10.024   20.868   14.236   21.933   14.117   70.479   28.303   71.999   28.422 -1.520279 40.11028 
1 1 1   14   18   48 o   65.134   16.145   6.9451   5.1842   1.6575   5.6728   33.735   12.769   38.637   16.811   91.632   27.569 -52.99518 32.28973 
1 1 1   14   18   49 o   27.758   13.125  -3.4033   4.4959  -3.4033   4.4959   0.0000   0.0000   27.758   13.125  ?   ?       ?      ? 
1 1 1   14   19    0 o   79.611   9.7978   16.265   4.6875   16.265   4.6875   16.265   4.6875   79.611   13.856   79.611   13.856 -0.000000 0.000000 
1 1 1   14   19    1 o  113.376   9.4580   31.176   4.8581   29.330   7.7586   32.367   6.2308  110.188   15.066  116.563   11.438 -6.374870 18.91598 
1 1 1   14   19    2 o  108.077   10.678   24.398   4.8936   19.775   5.6521   38.239   9.7795   90.802   13.319  125.351   16.694 -34.54855 21.35572 
1 1 1   14   19    3 o  170.231   12.449   66.074   8.7898   60.940   10.136   81.638   17.649  159.309   13.614  181.152   20.846 -21.84329 24.89814 
1 1 1   14   19    4 o   66.343   9.7164   11.001   3.0346   5.2272   4.2175   17.198   4.3696   47.658   16.023   85.028   10.996 -37.37096 19.43281 
1 1 1   14   19    5 o  112.533   10.466   30.751   5.4652   27.776   7.9257   33.449   7.5463  107.051   15.842  118.015   13.682 -10.96394 20.93228 
1 1 1   14   19    6 o  234.407   14.684  136.593   16.082  133.039   22.695  140.179   22.793  231.180   21.006  237.633   20.523 -6.452850 29.36738 
1 1 1   14   19    7 o  165.973   11.786   66.997   9.1420   66.153   12.855   67.861   13.004  164.912   16.679  167.035   16.658 -2.122818 23.57289 
1 1 1   14   19    8 o  113.671   12.719   29.312   6.3936   39.133   11.541   24.964   7.6797  125.913   19.613  101.430   16.201 24.48244 25.43884 
1 1 1   14   19    9 o  123.023   12.627   34.788   6.9928   29.189   8.5901   45.789   12.040  109.548   16.778  136.497   18.874 -26.94907 25.25350 
1 1 1   14   19   10 o  308.387   16.923  245.300   23.490  218.644   37.203  262.973   30.292  290.502   27.402  326.272   19.866 -35.77081 33.84540 
1 1 1   14   19   11 o  172.133   13.224   70.359   9.2354   77.837   18.702   67.948   10.621  175.974   22.740  168.292   13.504 7.682343 26.44736 
1 1 1   14   19   12 o   81.672   12.241   17.589   3.9741   14.431   8.1281   18.581   4.5557   74.976   21.855   88.368   11.031 -13.39250 24.48131 
1 1 1   14   19   13 f  145.271   11.011   51.208   7.4729   50.952   10.704   51.451   10.438  144.834   15.813  145.708   15.328 -0.8747253 22.02295 
1 1 1   14   19   14 o  150.239   8.9902   50.593   6.0907   73.997   10.154   37.438   7.6123  175.691   12.366  124.787   13.053 50.90340 17.98041 
1 1 1   14   19   15 o   67.730   12.482   11.686   3.9778   12.210   5.9139   11.253   5.3756   69.031   18.106   66.430   17.185 2.600212 24.96317 
1 1 1   14   19   16 o   96.259   12.628   24.413   5.3908   15.524   7.8911   32.190   7.3817   77.096   21.228  115.421   13.685 -38.32435 25.25646 
1 1 1   14   19   17 o   48.847   12.194   4.3613   3.5882   8.5806   5.6332   1.4806   4.6547   58.800   18.429   38.893   15.973 19.90694 24.38779 
1 1 1   14   19   18 o  112.550   11.683   31.440   5.7843   42.419   8.4760   21.870   7.9134  132.622   13.675   92.479   18.947 40.14388 23.36622 
1 1 1   14   19   19 o  167.498   15.243   72.972   11.141   78.316   13.894   63.346   18.647  178.875   16.620  156.120   25.556 22.75505 30.48513 
1 1 1   14   19   20 o   99.486   11.998   23.990   5.2273   38.806   8.1112   13.466   6.8363  126.762   13.692   72.211   19.707 54.55169 23.99634 
1 1 1   14   19   21 o   65.098   13.176   9.8295   4.7508   17.974   6.9454   2.6683   6.5126   83.634   18.280   46.562   18.981 37.07234 26.35229 
1 1 1   14   19   22 o  170.098   12.485   71.854   9.9238   71.552   14.120   72.148   13.950  169.659   17.808  170.538   17.503 -0.8796234 24.96971 
1 1 1   14   19   23 o  117.111   15.452   33.286   7.7042   45.143   13.935   28.066   9.2459  130.131   23.789  104.091   19.728 26.03911 30.90496 
1 1 1   14   19   24 o  120.631   16.165   37.722   8.2690   40.000   14.863   36.701   9.9512  119.882   27.158  121.381   17.542 -1.499077 32.33067 
1 1 1   14   19   25 o  209.052   21.868  123.583   21.294  134.874   30.399  112.704   29.838  219.990   29.568  198.114   32.226 21.87617 43.73525 
1 1 1   14   19   26 o  101.527   19.370   29.308   9.4060   27.492   14.023   30.793   12.682   97.858   28.758  105.197   25.956 -7.338394 38.73920 
1 1 1   14   19   27 o  226.454   26.483  160.481   26.336  204.041   37.296  117.159   37.194  268.922   29.675  183.987   43.873 84.93513 52.96651 
1 1 1   14   19   28 o   39.172   12.767  -5.4703   5.5677  -1.3734   7.5874 -10.2502   8.1955   42.770   18.992   35.573   17.068 7.197910 25.53465 
1 1 1   14   19   29 o  149.060   15.373   56.652   10.240   53.064   12.614   63.587   17.538  144.409   18.690  153.711   24.413 -9.301987 30.74600 
1 1 1   14   19   30 o   64.871   14.713   10.242   5.2334   15.835   7.9257   5.9176   6.9686   76.526   21.351   53.216   20.248 23.30972 29.42564 
1 1 1   14   19   31 o  132.450   12.729   44.561   7.8491   49.620   11.267   39.791   10.941  140.220   17.193  124.680   18.776 15.53934 25.45896 
1 1 1   14   19   32 o   77.154   13.645   16.093   4.6800   14.954   8.4301   16.601   5.6267   73.869   22.440   80.438   15.530 -6.569778 27.28963 
1 1 1   14   19   33 o   73.401   13.552   14.193   4.4064   15.247   8.1616   13.759   5.2349   74.110   21.983   72.693   15.855 1.417717 27.10429 
1 1 1   14   19   34 o  127.359   12.750   42.107   7.5484   41.815   11.214   42.349   10.207  126.252   19.006  128.467   17.001 -2.214417 25.49970 
1 1 1   14   19   35 o  106.796   13.543   30.149   6.5889   30.903   9.8046   29.529   8.8975  106.670   20.411  106.922   17.806 -0.2514114 27.08587 
1 1 1   14   19   36 o   58.831   11.521   6.4923   3.5058   1.7139   4.2190   17.153   6.3018   37.239   15.240   80.424   17.281 -43.18465 23.04136 
1 1 1   14   19   37 o   46.072   12.732   4.4724   3.5478   5.5078   3.8662  -1.0486   8.9276   46.809   15.328   45.335   20.333 1.473896 25.46321 
1 1 1   14   19   38 o   41.560   12.657   0.2940   2.9889  -0.5980   3.1854   6.8629   8.6443   27.978   12.370   55.142   22.086 -27.16404 25.31416 
1 1 1   14   19   39 o   77.868   13.454   12.189   4.1069   8.5312   4.5372   28.777   9.6622   56.123   16.320   99.613   21.393 -43.48968 26.90756 
1 1 1   14   19   40 o   50.197   14.608   2.8674   5.6956  -1.9707   7.4581   9.6371   8.8222   40.192   18.252   60.203   22.812 -20.01114 29.21539 
1 1 1   14   19   41 o  109.187   13.169   32.102   6.4457   42.845   9.9440   24.317   8.4647  126.658   16.799   91.716   20.286 34.94168 26.33885 
1 1 1   14   19   42 o   35.849   14.716   1.9181   3.9487   1.9181   3.9487   0.0000   0.0000   35.849   14.716  ?   ?       ?      ? 
1 1 1   14   19   43 o   41.636   13.177  -0.4960   3.4610  -1.7053   3.6940   8.1932   9.9015   27.700   12.681   55.573   23.104 -27.87323 26.35493 
1 1 1   14   19   44 o   46.006   13.758   4.3226   3.8361   4.6822   4.0445   1.0990   12.109   42.845   15.592   49.167   22.673 -6.321732 27.51689 
1 1 1   14   19   45 o   45.459   14.513  -0.2973   6.0869  -4.2468   7.3517   8.3124   10.855   35.804   16.885   55.115   23.610 -19.31174 29.02618 
1 1 1   14   19   46 o   61.508   17.630   9.8539   8.6681  -2.2303   11.510   25.685   13.175   45.000   21.193   78.017   28.179 -33.01682 35.25923 
1 1 1   14   19   47 o   42.257   13.617   2.0971   4.3875   2.3029   4.6747   0.5743   12.714   37.333   15.722   47.182   22.237 -9.849129 27.23318 
1 1 1   14   20    0 f  136.906   17.569   49.570   14.345   49.570   14.345   49.570   14.345  136.906   24.846  136.906   24.846 -0.000000 0.000000 
1 1 1   14   20    1 o  105.244   14.644   26.731   7.2026   26.731   7.2026   0.0000   0.0000  105.244   14.644  ?   ?       ?      ? 
1 1 1   14   20    2 o  130.305   15.061   46.231   8.0100   52.260   9.8381   34.375   13.796  147.251   14.296  113.359   26.513 33.89221 30.12174 
1 1 1   14   20    3 o  168.008   17.140   71.987   13.457   72.603   18.976   71.364   19.087  168.842   24.048  167.175   24.430 1.667557 34.28013 
1 1 1   14   20    4 o  232.475   17.834  134.963   18.469  152.692   31.935  126.053   22.638  240.796   28.377  224.153   21.610 16.64247 35.66889 
1 1 1   14   20    5 o  315.931   30.772  314.038   38.647  253.547   66.803  344.467   47.380  270.104   54.794  361.759   28.024 -91.65460 61.54488 
1 1 1   14   20    6 o  174.258   12.393   75.382   9.8515   56.992   13.840   94.272   14.026  151.427   19.556  197.090   15.228 -45.66299 24.78568 
1 1 1   14   20    7 o  224.369   10.791  122.360   11.314  120.491   16.024  124.218   15.978  222.579   15.404  226.160   15.117 -3.580795 21.58252 
1 1 1   14   20    8 o  262.362   13.732  173.659   16.307  161.666   25.917  181.518   20.980  252.481   21.964  272.243   16.489 -19.76244 27.46474 
1 1 1   14   20    9 o  153.284   14.105   59.840   9.4134   55.665   16.198   61.969   11.567  147.152   23.553  159.416   15.526 -12.26376 28.20961 
1 1 1   14   20   10 o  118.314   13.679   36.599   6.8943   31.299   11.455   39.609   8.6330  108.840   23.227  127.788   14.455 -18.94882 27.35784 
1 1 1   14   20   11 o  201.002   13.993   94.517   11.582  115.791   23.416   87.627   13.326  212.182   23.613  189.822   15.021 22.36086 27.98627 
1 1 1   14   20   12 o  227.829   14.315  130.052   15.238  128.140   21.689  131.916   21.413  225.951   20.539  229.707   19.946 -3.756927 28.63065 
1 1 1   14   20   13 o  120.336   11.083   32.182   5.5045   42.182   11.270   29.050   6.3080  130.586   18.467  110.085   12.261 20.50142 22.16631 
1 1 1   14   20   14 o  119.484   8.9776   31.205   4.7743   49.053   8.2230   22.130   5.8638  143.047   12.300   95.922   13.080 47.12477 17.95515 
1 1 1   14   20   15 o  247.830   14.037  149.128   15.996  178.330   25.580  130.377   20.497  266.648   20.527  229.012   19.151 37.63644 28.07351 
1 1 1   14   20   16 o  167.469   10.981   69.009   8.2613   65.967   13.505   70.828   10.443  163.457   17.679  171.482   13.031 -8.025055 21.96226 
1 1 1   14   20   17 o  200.270   10.554   97.368   9.6277   99.315   15.487   96.142   12.291  200.994   16.487  199.546   13.180 1.447754 21.10771 
1 1 1   14   20   18 o   78.291   10.779   15.644   3.6191   14.069   6.2630   16.434   4.4345   73.798   18.259   82.784   11.462 -8.986603 21.55839 
1 1 1   14   20   19 o  108.031   11.751   28.900   5.6802   37.204   8.4438   22.035   7.6769  123.487   14.631   92.574   18.392 30.91309 23.50195 
1 1 1   14   20   20 o   77.990   14.862   10.836   5.0025   29.026   11.051   6.1485   5.6101  103.966   23.319   52.015   18.433 51.95111 29.72475 
1 1 1   14   20   21 f  149.850   16.257   57.471   10.184  102.900   15.915   25.976   13.252  203.768   16.712   95.931   27.889 107.8368 32.51336 
1 1 1   14   20   22 o  118.792   15.146   34.082   7.6172   44.512   14.216   29.881   9.0216  128.217   24.619  109.367   17.651 18.85003 30.29225 
1 1 1   14   20   23 o   53.500   16.008   2.6553   6.8382   1.4914   10.748   3.4468   8.8632   54.106   23.340   52.894   21.913 1.212223 32.01504 
1 1 1   14   20   24 o   50.645   14.640   3.3153   5.3250   2.2557   6.6834   5.1573   8.8118   45.887   19.021   55.402   22.260 -9.515045 29.28018 
1 1 1   14   20   25 o   75.052   16.111   15.399   6.1164   16.747   7.6539   13.017   10.174   79.218   20.512   70.887   24.850 8.330650 32.22227 
1 1 1   14   20   26 o  144.661   27.182   58.985   17.702   58.985   17.702   0.0000   0.0000  144.661   27.182  ?   ?       ?      ? 
1 1 1   14   20   27 o   81.821   15.891   20.357   6.9507   6.0837   12.565   26.650   8.3436   62.363   25.985  101.279   18.301 -38.91656 31.78252 
1 1 1   14   20   28 o  102.381   16.942   28.717   7.8099   27.217   9.9717   31.098   12.561  100.173   21.910  104.588   25.847 -4.415161 33.88346 
1 1 1   14   20   29 o   86.127   12.808   18.992   4.7416   19.840   8.5332   18.613   5.7031   85.341   21.426   86.913   14.040 -1.572098 25.61676 
1 1 1   14   20   30 o  134.645   9.6998   41.129   5.8443   59.282   10.199   32.254   7.1313  154.781   14.099  114.509   13.326 40.27229 19.39961 
1 1 1   14   20   31 o   94.627   11.566   21.216   4.7882   29.386   8.5309   17.459   5.7855  107.147   17.036   82.108   15.648 25.03896 23.13227 
1 1 1   14   20   32 o   75.661   13.661   15.231   4.4842   16.205   8.5864   14.865   5.2582   75.681   22.570   75.641   15.398 0.4021454E-01 27.32238 
1 1 1   14   20   33 f   49.930   12.691   5.7399   4.1827  -2.6282   7.9362   8.9584   4.9218   41.508   18.841   58.352   17.006 -16.84413 25.38103 
1 1 1   14   20   34 o  123.808   11.710   38.366   6.6933   45.214   10.509   33.693   8.6819  132.638   16.954  114.978   16.157 17.66010 23.41964 
1 1 1   14   20   35 o   90.619   13.800   22.074   5.4554   24.461   9.2968   20.820   6.7373   92.679   21.825   88.559   16.895 4.120155 27.59987 
1 1 1   14   20   36 o  164.709   19.545   74.268   15.045   74.268   15.045   0.0000   0.0000  164.709   19.545  ?   ?       ?      ? 
1 1 1   14   20   37 o   53.212   13.876   6.8074   3.9246   6.6258   4.3708   7.5631   8.9154   50.160   16.291   56.263   22.467 -6.102684 27.75180 
1 1 1   14   20   38 o   53.925   14.075   6.5756   4.0947   5.6737   4.6561   9.6538   8.6021   47.751   16.806   60.098   22.581 -12.34717 28.14900 
1 1 1   14   20   39 f   44.924   13.465   3.1891   4.2924  -2.3683   10.485   4.3079   4.7047   45.982   21.166   43.865   16.650 2.117104 26.92957 
1 1 1   14   20   40 o   59.452   13.670   10.482   4.2864   8.7691   7.7919   11.225   5.1328   55.968   21.383   62.936   17.035 -6.968567 27.33902 
1 1 1   14   20   41 o   46.991   11.570   5.6212   3.1556   3.8440   4.2167   7.8832   4.7572   41.097   15.724   52.884   16.979 -11.78781 23.14084 
1 1 1   14   20   42 o   63.442   15.878   9.7188   5.4160   23.081   10.820   5.2514   6.2562   79.956   25.599   46.928   18.791 33.02883 31.75533 
1 1 1   14   20   43 o   53.288   14.645   7.3964   5.8610   13.265   7.7251  -0.5635   8.9971   63.685   21.683   42.891   19.692 20.79376 29.29070 
1 1 1   14   20   44 o   58.102   14.321   9.7839   4.4070   8.5335   5.1828   13.049   8.3741   53.810   17.753   62.394   22.476 -8.584671 28.64199 
1 1 1   14   20   45 o   48.179   13.765   5.5915   4.2247   4.4754   4.8440   9.1383   8.6353   42.519   16.692   53.840   21.892 -11.32085 27.52975 
1 1 1   14   20   46 o   36.567   15.209   2.3932   4.2939   2.3932   4.2939   0.0000   0.0000   36.567   15.209  ?   ?       ?      ? 
1 1 1   14   21    1 o  110.684   22.626   32.043   11.309   0.0000   0.0000   32.043   11.309  ?   ?   110.684   22.626      ?      ? 
1 1 1   14   21    2 o  226.602   20.386  128.579   21.589   0.0000   0.0000  128.579   21.589  ?   ?   226.602   20.386      ?      ? 
1 1 1   14   21    3 o  173.003   18.888   79.925   14.504   99.014   20.571   61.054   20.453  197.600   22.275  148.406   30.509 49.19385 37.77562 
1 1 1   14   21    4 o  136.361   12.807   45.266   7.8712   43.565   9.8352   48.296   13.128  133.735   15.736  138.987   20.210 -5.251678 25.61374 
1 1 1   14   21    5 o  205.956   10.686  100.573   10.137  117.629   16.094   89.356   13.051  219.800   15.667  192.112   14.536 27.68840 21.37216 
1 1 1   14   21    6 o  119.170   9.4457   33.957   5.1619   35.445   8.1951   32.978   6.6461  121.006   14.491  117.333   12.120 3.673050 18.89140 
1 1 1   14   21    7 o  145.812   12.152   52.631   7.1323   51.239   14.143   53.106   8.2594  142.664   21.213  148.961   11.864 -6.297028 24.30498 
1 1 1   14   21    8 f  156.935   16.496   67.371   10.565   52.718   18.133   74.901   12.999  138.633   28.923  175.236   15.873 -36.60318 32.99216 
1 1 1   14   21    9 f  155.704   16.169   65.751   10.243   53.367   17.876   71.805   12.498  139.764   28.337  171.643   15.580 -31.87871 32.33730 
1 1 1   14   21   10 o  104.569   11.127   23.589   4.8337   34.013   9.9417   20.362   5.5316  117.171   18.155   91.967   12.870 25.20419 22.25389 
1 1 1   14   21   11 o  201.540   13.231  101.185   12.453  106.308   17.758   96.228   17.468  206.780   18.376  196.299   19.040 10.48166 26.46128 
1 1 1   14   21   12 o  149.297   15.873   57.405   9.6315   58.301   18.040   57.048   11.391  146.096   27.429  152.497   15.983 -6.400772 31.74545 
1 1 1   14   21   13 o  166.417   12.206   69.100   9.4054   60.800   13.580   76.752   13.039  155.963   18.630  176.871   15.775 -20.90785 24.41170 
1 1 1   14   21   14 o  164.484   11.623   66.995   8.8914   62.531   12.907   71.028   12.266  158.727   17.399  170.242   15.417 -11.51469 23.24678 
1 1 1   14   21   15 o  125.609   11.875   30.908   5.5383   54.448   13.893   26.460   6.0388  146.460   20.297  104.757   12.335 41.70367 23.75079 
1 1 1   14   21   16 o   53.851   15.167   4.8799   4.3469   4.8233   11.864   4.8887   4.6718   60.615   25.252   47.087   16.806 13.52753 30.33383 
1 1 1   14   21   17 o  135.075   13.354   40.493   7.6681   60.366   15.177   33.681   8.8856  153.418   21.168  116.732   16.288 36.68555 26.70857 
1 1 1   14   21   18 o   75.431   14.874   14.526   4.0565   12.683   12.626   14.738   4.2836   72.628   27.344   78.234   11.716 -5.606598 29.74807 
1 1 1   14   21   19 o  150.773   13.918   54.030   8.7990   66.834   17.298   49.560   10.220  159.681   23.179  141.865   15.415 17.81593 27.83638 
1 1 1   14   21   20 o   70.027   17.008   12.034   6.3257   14.646   11.482   10.897   7.5795   74.829   26.387   65.225   21.467 9.603874 34.01566 
1 1 1   14   21   21 o  127.772   14.750   43.318   8.2262   45.928   10.523   39.215   13.192  135.784   16.582  119.761   24.397 16.02280 29.49922 
1 1 1   14   21   22 o  142.424   10.830   49.471   7.1499   55.629   11.006   44.974   9.4048  149.778   15.723  135.070   14.899 14.70836 21.66077 
1 1 1   14   21   23 o   79.674   12.216   14.708   4.1396   22.040   7.7156   11.744   4.9054   91.817   18.618   67.531   15.820 24.28625 24.43125 
1 1 1   14   21   24 o   40.732   12.020   1.2051   3.1303   3.7579   7.0154   0.5704   3.4979   49.128   19.819   32.336   13.608 16.79167 24.04055 
1 1 1   14   21   25 o  133.797   14.724   43.605   8.5844   55.826   15.862   38.543   10.209  144.240   23.530  123.354   17.708 20.88605 29.44874 
1 1 1   14   21   26 o  214.656   15.267  109.297   13.534  150.299   27.732   96.479   15.505  233.718   25.389  195.594   16.962 38.12465 30.53360 
1 1 1   14   21   27 o  134.780   12.475   46.214   7.8506   48.815   11.362   43.837   10.860  138.456   17.558  131.104   17.725 7.352051 24.94931 
1 1 1   14   21   28 o  214.973   13.963  121.647   13.759  150.036   19.831   95.299   19.105  241.731   17.554  188.214   21.719 53.51740 27.92616 
1 1 1   14   21   29 o   64.447   22.535   11.096   8.3641   11.096   8.3641   0.0000   0.0000   64.447   22.535  ?   ?       ?      ? 
1 1 1   14   21   30 o   49.273   14.895   1.9478   6.2154   5.1528   7.7774  -3.7174   10.340   52.341   20.954   46.206   21.176 6.135197 29.79082 
1 1 1   14   21   31 o   85.686   17.143   20.421   7.1006   16.354   9.1050   26.733   11.344   75.813   23.375   95.559   25.083 -19.74597 34.28651 
1 1 1   14   21   32 o  164.472   16.117   74.850   11.944   74.348   15.123   75.682   19.474  167.400   19.330  161.544   25.794 5.856354 32.23377 
1 1 1   14   21   33 o   72.335   13.115   15.482   5.1462   5.0310   8.3868   21.793   6.5174   52.282   21.452   92.389   15.094 -40.10763 26.23055 
1 1 1   14   21   34 o   52.979   15.361   5.7880   5.9878   7.2382   7.2684   2.7253   10.563   54.103   20.657   51.856   22.741 2.247395 30.72248 
1 1 1   14   21   35 o   54.394   15.292   6.6341   5.7097   5.4196   7.3387   8.4968   9.0888   50.706   20.335   58.082   22.844 -7.375835 30.58378 
1 1 1   14   21   36 o  150.803   13.294   61.436   9.3265   68.636   13.389   54.649   12.999  160.379   17.863  141.227   19.695 19.15173 26.58876 
1 1 1   14   21   37 o   82.270   17.027   20.862   6.8208   18.930   8.6763   23.988   11.036   78.765   22.468   85.775   25.590 -7.009796 34.05406 
1 1 1   14   21   38 o   43.658   12.744   3.4279   3.9446   3.6781   7.2818   3.3240   4.6928   46.389   19.583   40.927   16.313 5.461582 25.48780 
1 1 1   14   21   39 f   73.229   14.376   16.044   4.9656   18.074   8.1988   14.868   6.2404   75.397   21.942   71.061   18.580 4.335213 28.75216 
1 1 1   14   21   40 o   54.710   11.273   8.3131   3.3172   12.494   4.7132   4.2096   4.6696   66.904   15.394   42.515   16.472 24.38979 22.54568 
1 1 1   14   21   41 o   53.664   11.296   8.1010   3.2245   11.468   4.5862   4.8099   4.5345   63.692   15.544   43.635   16.395 20.05664 22.59238 
1 1 1   14   21   42 o   59.700   13.140   10.519   3.9589   9.4510   4.9995   12.315   6.4825   56.661   17.296   62.740   19.786 -6.078880 26.27994 
1 1 1   14   21   43 o   73.162   11.949   15.735   4.0129   17.905   5.8144   13.761   5.5454   78.638   16.354   67.687   17.426 10.95097 23.89820 
1 1 1   14   21   44 o   45.154   12.940   5.3483   4.0149   6.0302   4.5611   3.0017   8.4609   45.870   16.579   44.439   19.872 1.430679 25.87971 
1 1 1   14   22    0 o  334.558   35.429  335.979   73.163  335.979   73.163  335.979   73.163  334.558   50.105  334.558   50.105 -0.000000 0.000000 
1 1 1   14   22    1 o  194.555   27.779  102.153   25.258   0.0000   0.0000  102.153   25.258  ?   ?   194.555   27.779      ?      ? 
1 1 1   14   22    2 f  155.393   14.397   60.776   9.7328   62.057   17.198   60.172   11.805  154.370   23.838  156.415   16.149 -2.044312 28.79315 
1 1 1   14   22    3 o   72.489   11.665   16.660   3.9801   3.1921   7.9364   21.185   4.6004   50.797   20.859   94.181   10.452 -43.38392 23.33084 
1 1 1   14   22    4 o  155.647   13.780   62.624   8.3483   57.493   16.972   64.262   9.5885  148.062   24.527  163.232   12.569 -15.17020 27.55968 
1 1 1   14   22    5 o  216.595   17.658  123.107   15.227  123.637   30.485  122.931   17.577  210.231   31.028  222.960   16.869 -12.72902 35.31691 
1 1 1   14   22    6 o  270.938   17.840  182.073   19.871  221.334   39.933  169.152   22.909  282.211   30.278  259.666   18.877 22.54520 35.68030 
1 1 1   14   22    7 o  115.603   13.805   35.688   5.9915   31.167   12.242   37.111   6.8705  106.983   24.945  124.223   11.834 -17.23996 27.60978 
1 1 1   14   22    8 o  121.097   13.240   38.961   6.0197   33.791   12.137   40.648   6.9326  112.071   23.901  130.124   11.400 -18.05309 26.48073 
1 1 1   14   22    9 o   75.963   15.346   15.170   5.9876   9.4487   8.5113   20.776   8.4248   63.154   22.669   88.773   20.689 -25.61953 30.69111 
1 1 1   14   22   10 f   71.983   14.019   13.003   4.5467   0.0000   0.0000   13.003   4.5467  ?   ?    71.983   14.019      ?      ? 
1 1 1   14   22   11 o   33.699   13.706   1.2525   3.3860   0.0000   0.0000   1.2525   3.3860  ?   ?    33.699   13.706      ?      ? 
1 1 1   14   22   12 o  145.925   12.059   51.354   8.2237   0.0000   0.0000   51.354   8.2237  ?   ?   145.925   12.059      ?      ? 
1 1 1   14   22   13 f   81.977   11.952   16.205   4.5790   0.0000   0.0000   16.205   4.5790  ?   ?    81.977   11.952      ?      ? 
1 1 1   14   22   14 o   69.908   22.085   12.807   8.0741   0.0000   0.0000   12.807   8.0741  ?   ?    69.908   22.085      ?      ? 
1 1 1   14   22   15 o   93.398   17.859   24.102   7.8515   24.496   12.657   23.856   10.010   93.013   27.318   93.783   23.012 -0.7696381 35.71847 
1 1 1   14   22   16 o  156.034   18.954   67.165   13.408   66.007   20.008   68.108   18.063  152.049   29.218  160.018   24.154 -7.969223 37.90881 
1 1 1   14   22   17 o   31.836   10.405  -3.6092   3.6324  -1.7612   4.5948  -6.6886   5.9312   32.365   14.546   31.307   14.882 1.058050 20.81053 
1 1 1   14   22   18 o   95.747   14.111   24.427   6.0869   26.433   7.8710   21.444   9.6008  102.982   16.354   88.512   23.000 14.47085 28.22130 
1 1 1   14   22   19 o   96.694   11.031   21.511   4.6777   31.464   8.1668   16.651   5.7065  112.636   15.514   80.752   15.686 31.88477 22.06244 
1 1 1   14   22   20 o   55.933   11.886   3.8189   2.9613   16.563   7.2045   1.2281   3.2484   78.887   19.622   32.979   13.420 45.90840 23.77286 
1 1 1   14   22   21 o  107.882   10.279   24.865   4.7662   39.938   9.2517   19.420   5.5609  126.689   15.626   89.075   13.358 37.61450 20.55732 
1 1 1   14   22   22 o   71.326   17.453   12.750   6.8747   10.119   8.5742   17.486   11.504   63.648   22.763   79.004   26.463 -15.35531 34.90586 
1 1 1   14   22   23 o  115.754   17.736   35.560   8.5526   41.879   16.629   33.288   9.9727  117.635   30.118  113.872   18.739 3.762756 35.47214 
1 1 1   14   22   24 o   91.960   27.836   25.240   12.989   25.240   12.989   0.0000   0.0000   91.960   27.836  ?   ?       ?      ? 
1 1 1   14   22   25 o   49.862   14.571   2.6796   4.2892   8.1537   10.479   1.5780   4.7010   61.212   24.384   38.513   15.958 22.69921 29.14165 
1 1 1   14   22   26 o   49.442   11.665   5.1889   4.0401  -6.1981   7.0576   10.739   4.9273   35.131   16.560   63.754   16.433 -28.62296 23.32997 
1 1 1   14   22   27 o  184.694   13.076   88.658   11.275   94.029   16.325   83.759   15.592  190.158   18.370  179.230   18.614 10.92824 26.15196 
1 1 1   14   22   28 o  218.184   16.357  131.027   16.604  145.589   23.779  117.172   23.195  231.637   21.966  204.731   24.242 26.90575 32.71328 
1 1 1   14   22   29 o  195.467   14.475  102.605   13.207   98.410   18.791  106.700   18.566  190.756   21.078  200.179   19.846 -9.423065 28.95064 
1 1 1   14   22   30 o   67.345   13.497   10.052   4.1526   19.799   8.1289   6.6099   4.8305   83.761   20.848   50.929   17.147 32.83229 26.99387 
1 1 1   14   22   31 o   73.139   16.244   15.820   6.2999   12.223   8.7675   19.659   9.0584   65.180   23.049   81.098   22.897 -15.91743 32.48864 
1 1 1   14   22   32 o   89.938   14.298   23.013   5.8150   24.018   8.9164   22.269   7.6708   90.700   21.383   89.177   18.988 1.522995 28.59693 
1 1 1   14   22   33 o   38.807   12.240  -0.6938   4.4212  -0.4581   6.9985  -0.8503   5.7034   40.886   18.193   36.729   16.378 4.156517 24.47940 
1 1 1   14   22   34 o   88.797   14.728   22.834   5.9772   21.667   9.0962   23.721   7.9294   85.303   22.495   92.291   19.017 -6.988548 29.45588 
1 1 1   14   22   35 o   92.668   14.034   24.402   5.7845   27.412   9.2895   22.496   7.3927   96.033   21.260   89.303   18.327 6.730011 28.06890 
1 1 1   14   22   36 o   56.969   13.723   9.2164   4.1731   9.8484   7.5599   8.9395   5.0046   57.851   21.277   56.087   17.336 1.763889 27.44555 
1 1 1   14   22   37 o   47.507   12.390   5.9993   3.8245   0.5949   7.3494   8.0062   4.4787   41.685   18.590   53.328   16.386 -11.64278 24.78086 
1 1 1   14   22   38 o   51.317   13.397   7.1742   3.9254   7.5806   7.8029   7.0365   4.5421   52.602   21.014   50.032   16.625 2.570034 26.79476 
1 1 1   14   22   39 o   49.078   10.949   6.4101   3.2170   1.5248   4.7034   10.705   4.4098   36.563   15.599   61.593   15.369 -25.02994 21.89821 
1 1 1   14   22   40 f   38.979   11.116   2.8452   3.1013   4.2636   4.7651   1.8029   4.0848   42.502   16.592   35.457   14.798 7.045197 22.23247 
1 1 1   14   22   41 o   25.860   8.8782  -3.6762   2.4347  -3.8125   2.7036  -3.0915   5.6004   19.801   9.5763   31.918   14.953 -12.11706 17.75642 
1 1 1   14   22   42 f   46.280   12.028   6.0910   3.4027   5.4186   4.5728   6.9252   5.0935   44.248   16.496   48.311   17.510 -4.062706 24.05672 
1 1 1   14   23    0 o  161.496   19.191   70.092   18.746   70.092   18.746   70.092   18.746  161.496   27.140  161.496   27.140 -0.000000 0.000000 
1 1 1   14   23    1 o  123.694   13.758   38.836   7.2074   40.215   12.741   38.187   8.7404  122.661   23.072  124.727   14.994 -2.065918 27.51625 
1 1 1   14   23    2 o  164.510   13.072   61.837   9.5734   93.437   16.859   46.799   11.630  192.510   18.739  136.510   18.230 55.99936 26.14335 
1 1 1   14   23    3 o   51.963   16.504   6.6688   4.5043   0.0000   0.0000   6.6688   4.5043  ?   ?    51.963   16.504      ?      ? 
1 1 1   14   23    4 o   83.757   15.746   17.787   5.9372   0.0000   0.0000   17.787   5.9372  ?   ?    83.757   15.746      ?      ? 
1 1 1   14   23    5 o  227.981   16.407  128.902   17.482   0.0000   0.0000  128.902   17.482  ?   ?   227.981   16.407      ?      ? 
1 1 1   14   23    6 o  127.074   11.793   38.938   7.0038   0.0000   0.0000   38.938   7.0038  ?   ?   127.074   11.793      ?      ? 
1 1 1   14   23    7 o   97.845   15.643   23.638   7.1532   0.0000   0.0000   23.638   7.1532  ?   ?    97.845   15.643      ?      ? 
1 1 1   14   23    8 o  117.113   14.599   33.650   7.9906   0.0000   0.0000   33.650   7.9906  ?   ?   117.113   14.599      ?      ? 
1 1 1   14   23    9 o  232.985   33.878  161.372   36.888   0.0000   0.0000  161.372   36.888  ?   ?   232.985   33.878      ?      ? 
1 1 1   14   23   10 o  196.620   28.091  107.509   25.813   0.0000   0.0000  107.509   25.813  ?   ?   196.620   28.091      ?      ? 
1 1 1   14   23   11 o   79.760   15.228   17.037   5.7800   18.053   8.6994   16.233   7.7337   81.625   22.212   77.894   20.837 3.730957 30.45584 
1 1 1   14   23   12 o  104.426   20.881   28.963   9.8346   0.0000   0.0000   28.963   9.8346  ?   ?   104.426   20.881      ?      ? 
1 1 1   14   23   13 o  265.546   28.389  230.336   33.715  269.742   47.987  191.920   47.380  298.027   34.453  233.066   45.129 64.96074 56.77727 
1 1 1   14   23   14 o  141.229   17.027   53.964   10.938   54.044   16.234   53.898   14.801  139.305   25.889  143.153   22.124 -3.848419 34.05460 
1 1 1   14   23   15 o   99.824   14.893   25.739   6.6715   33.993   10.536   20.216   8.6195  113.225   20.673   86.423   21.443 26.80168 29.78589 
1 1 1   14   23   16 o  111.340   16.007   35.002   7.2160   29.617   13.926   36.978   8.4370  100.359   28.409  122.322   14.758 -21.96243 32.01400 
1 1 1   14   23   17 o  183.392   14.895   85.872   11.805   93.691   21.390   82.447   14.157  185.635   24.655  181.149   16.722 4.486481 29.79065 
1 1 1   14   23   18 o   96.126   12.587   18.885   5.1236   40.523   10.057   11.300   5.9543  126.783   16.973   65.470   18.591 61.31361 25.17348 
1 1 1   14   23   19 o   95.575   15.674   23.361   6.9106   15.254   8.7728   36.617   11.218   74.491   22.941  116.660   21.363 -42.16843 31.34793 
1 1 1   14   23   20 o  108.328   16.136   35.164   7.8408   43.116   9.9084   21.841   12.825  130.802   16.209   85.855   27.907 44.94683 32.27275 
1 1 1   14   23   21 o  156.098   15.509   65.715   10.784   65.905   13.482   65.378   17.966  159.781   18.055  152.415   25.222 7.365997 31.01814 
1 1 1   14   23   22 o   89.302   17.191   22.027   7.2186   17.911   9.0947   29.034   11.867   79.238   23.124   99.365   25.444 -20.12671 34.38200 
1 1 1   14   23   23 o  109.578   15.772   31.007   7.1874   40.383   13.644   27.407   8.4557  117.693   25.540  101.464   18.514 16.22873 31.54451 
1 1 1   14   23   24 o  150.956   14.873   59.981   9.7150   63.934   17.409   58.193   11.707  150.847   24.695  151.065   16.583 -0.2184143 29.74586 
1 1 1   14   23   25 o  151.068   13.530   59.942   9.3777   73.833   13.545   47.154   12.996  169.590   17.090  132.547   20.980 37.04378 27.05964 
1 1 1   14   23   26 o  196.053   20.316  118.257   16.537  125.361   20.520  105.090   27.934  216.092   20.318  176.014   35.188 40.07793 40.63269 
1 1 1   14   23   27 o  116.026   14.819   39.749   7.5485   20.038   10.897   57.937   10.467   80.993   25.664  151.059   14.826 -70.06570 29.63858 
1 1 1   14   23   28 o   53.535   14.359   6.2568   4.9025   10.412   7.9073   3.6625   6.2483   61.302   21.867   45.769   18.618 15.53357 28.71869 
1 1 1   14   23   29 o   59.515   13.614   10.152   4.7407   3.7265   7.8817   13.795   5.9342   48.656   20.448   70.374   17.978 -21.71828 27.22723 
1 1 1   14   23   30 o   93.801   14.126   24.085   6.1343   32.295   9.3301   17.834   8.1413  109.626   18.211   77.976   21.599 31.65071 28.25118 
1 1 1   14   23   31 o   40.560   12.679   0.0550   4.6256  -1.4542   7.7052   0.9054   5.7837   41.405   18.701   39.715   17.127 1.689484 25.35880 
1 1 1   14   23   32 o   58.214   14.316   8.5367   4.8468   14.188   7.7107   4.8451   6.2319   68.895   21.556   47.534   18.846 21.36132 28.63242 
1 1 1   14   23   33 o   71.638   13.721   13.600   4.2591   19.334   8.4329   11.637   4.9347   78.734   22.044   64.543   16.343 14.19140 27.44128 
1 1 1   14   23   34 o   78.982   13.424   17.333   4.5378   21.226   8.5145   15.789   5.3629   82.312   21.791   75.651   15.683 6.660469 26.84819 
1 1 1   14   23   35 o   51.093   15.111   3.4389   6.0096  -1.9084   7.4434   13.451   10.185   38.756   17.837   63.429   24.396 -24.67243 30.22153 
1 1 1   14   23   36 o   53.477   15.694   6.9393   6.2341   4.2125   7.7966   11.773   10.381   46.966   20.061   59.989   24.141 -13.02309 31.38833 
1 1 1   14   23   37 o   94.248   14.700   29.339   6.5962   18.362   9.9346   37.993   8.8213   71.440   24.583  117.055   16.125 -45.61501 29.39982 
1 1 1   14   23   38 o   89.440   20.761   25.188   8.5109   0.0000   0.0000   25.188   8.5109  ?   ?    89.440   20.761      ?      ? 
1 1 1   14   23   39 o   84.704   15.860   20.560   6.0476   0.0000   0.0000   20.560   6.0476  ?   ?    84.704   15.860      ?      ? 
1 1 1   14   23   40 o   79.442   11.577   19.542   4.4525   8.7239   6.3101   30.270   6.2836   52.395   19.408  106.488   12.626 -54.09232 23.15373 
1 1 1   14   24    1 o  134.702   21.629   47.453   13.616   0.0000   0.0000   47.453   13.616  ?   ?   134.702   21.629      ?      ? 
1 1 1   14   24    2 o   93.416   15.773   23.967   6.8076   20.982   10.059   26.489   9.2466   86.990   23.974   99.842   20.503 -12.85231 31.54560 
1 1 1   14   24    3 o  147.056   18.629   60.961   12.260   47.703   17.669   73.271   17.026  126.902   30.224  167.210   21.787 -40.30753 37.25853 
1 1 1   14   24    4 o  124.463   15.701   41.040   8.9213   45.683   13.028   36.941   12.242  132.484   21.041  116.442   23.309 16.04131 31.40117 
1 1 1   14   24    5 o  145.515   23.811   56.724   16.193   56.724   16.193   0.0000   0.0000  145.515   23.811  ?   ?       ?      ? 
1 1 1   14   24    6 o  206.795   26.364  140.349   24.009   83.179   34.024  197.053   33.885  147.728   45.127  265.862   27.271 -118.1337 52.72760 
1 1 1   14   24    7 o  126.134   15.528   41.784   8.8612   51.594   13.244   33.833   11.923  141.349   20.048  110.920   23.719 30.42908 31.05686 
1 1 1   14   24    8 o   99.455   15.678   26.513   7.0423   29.769   10.850   24.142   9.2574  104.363   22.876   94.547   21.444 9.816292 31.35507 
1 1 1   14   24    9 o  151.194   14.240   58.686   9.3811   60.442   16.526   57.851   11.395  150.145   23.551  152.242   16.015 -2.096680 28.48067 
1 1 1   14   24   10 o  223.261   22.701  147.890   21.170  146.916   36.958  148.365   25.827  211.364   38.846  235.158   23.500 -23.79404 45.40105 
1 1 1   14   24   11 o  163.776   15.471   69.907   10.998   73.143   19.542   68.407   13.305  162.993   25.653  164.559   17.301 -1.565613 30.94208 
1 1 1   14   24   12 o  186.880   15.763   91.450   11.677   94.624   23.679   90.430   13.422  182.883   27.704  190.878   15.046 -7.995590 31.52601 
1 1 1   14   24   13 o  158.656   17.858   71.628   10.545   64.812   21.394   73.815   12.119  144.971   32.392  172.340   15.047 -27.36885 35.71643 
1 1 1   14   24   14 o  195.377   15.836   99.953   12.334  105.868   24.944   98.038   14.191  192.538   27.721  198.217   15.319 -5.678574 31.67227 
1 1 1   14   24   15 o   79.838   15.064   18.732   5.7352   12.436   10.415   21.472   6.8708   68.737   25.020   90.939   16.785 -22.20200 30.12823 
1 1 1   14   24   16 o  137.398   14.477   49.292   7.3678   52.109   15.744   48.502   8.3371  134.313   26.021  140.484   12.698 -6.170334 28.95397 
1 1 1   14   24   17 o  148.930   15.514   61.102   8.6051   58.353   17.651   61.959   9.8556  139.655   28.019  158.205   13.330 -18.55045 31.02789 
1 1 1   14   24   18 o  121.680   13.383   37.679   6.3139   42.071   12.933   36.305   7.2347  122.030   23.530  121.331   12.759 0.6983261 26.76636 
1 1 1   14   24   19 o  136.119   13.559   47.545   6.9408   51.445   14.670   46.420   7.8784  134.721   24.189  137.516   12.259 -2.794662 27.11823 
1 1 1   14   24   20 o  159.056   15.743   67.610   10.844   72.064   19.371   65.576   13.088  158.549   26.142  159.563   17.550 -1.013550 31.48689 
1 1 1   14   24   21 o   68.532   13.084   13.685   4.2059   7.3475   9.0477   15.433   4.7504   57.971   22.795   79.092   12.851 -21.12087 26.16800 
1 1 1   14   24   22 f  143.407   11.578   47.720   6.9036   64.346   13.980   42.358   7.9391  156.049   19.170  130.766   12.991 25.28247 23.15676 
1 1 1   14   24   23 o   77.524   14.078   14.186   4.2346   21.773   9.9294   12.499   4.6817   85.911   23.873   69.137   14.926 16.77435 28.15512 
1 1 1   14   24   24 o  153.322   11.305   59.123   7.8230   67.662   13.161   54.457   9.7282  160.071   17.592  146.573   14.202 13.49837 22.60911 
1 1 1   14   24   25 o   98.374   14.676   27.896   6.4814   26.118   9.8750   29.241   8.5907   93.638   22.782  103.110   18.507 -9.472679 29.35243 
1 1 1   14   24   26 o   82.125   13.340   17.753   4.5498   21.787   8.9022   16.327   5.2934   85.663   22.092   78.588   14.959 7.075722 26.68033 
1 1 1   14   24   27 o   59.634   14.884   9.7824   5.2638   7.2969   8.0123   11.670   6.9818   55.167   21.521   64.101   20.567 -8.933807 29.76858 
1 1 1   14   24   28 o   57.326   13.799   8.4348   4.1375   10.547   7.6180   7.5510   4.9276   61.411   21.505   53.240   17.298 8.170315 27.59842 
1 1 1   14   24   29 o  168.312   13.352   78.370   10.453   72.055   14.934   84.436   14.636  160.138   19.954  176.486   17.745 -16.34811 26.70333 
1 1 1   14   24   30 o   35.298   11.636  -3.6584   4.7036  -3.1651   6.6230  -4.1605   6.6813   35.752   16.585   34.845   16.326 0.9073372 23.27272 
1 1 1   14   24   31 o   48.649   13.168   5.6670   4.4611   1.3324   6.8324   8.8882   5.8898   41.779   18.307   55.519   18.933 -13.74015 26.33630 
1 1 1   14   24   32 o   42.316   12.283   3.4253   3.8684   0.2768   7.0563   4.7782   4.6255   40.589   18.150   44.043   16.557 -3.454201 24.56694 
1 1 1   14   24   33 o   43.309   12.916   3.2724   4.4444   3.1519   6.7882   3.3628   5.8798   43.918   18.738   42.700   17.782 1.218132 25.83260 
1 1 1   14   24   34 o   66.904   13.275   12.975   4.0756   15.544   7.3957   11.855   4.8842   69.531   20.995   64.277   16.250 5.254677 26.54915 
1 1 1   14   24   35 o   63.913   15.620   12.282   4.6657   15.123   12.951   11.858   5.0016   63.840   26.472   63.986   16.588 -0.1455574 31.23977 
1 1 1   14   24   36 o   40.945   13.292  -3.8947   4.7328   9.1581   10.089  -7.5772   5.3590   55.006   23.127   26.884   13.111 28.12175 26.58498 
1 1 1   14   24   37 o   43.654   18.376   4.1769   6.3822   0.0000   0.0000   4.1769   6.3822  ?   ?    43.654   18.376      ?      ? 
1 1 1   14   25    0 f   14.197   7.3250  -9.4806   4.1133  -9.4806   4.1133  -9.4806   4.1133   14.197   10.359   14.197   10.359 -0.000000 0.000000 
1 1 1   14   25    1 o  126.398   12.982   39.143   7.4235   34.108   9.2038   48.518   12.558  116.104   16.962  136.692   19.658 -20.58797 25.96417 
1 1 1   14   25    2 o   93.171   10.459   22.092   4.2996   20.541   6.8118   23.119   5.5433   88.939   17.008   97.402   12.178 -8.463676 20.91789 
1 1 1   14   25    3 o  149.864   14.657   59.360   8.5457   59.029   16.856   59.475   9.9144  144.349   25.939  155.378   13.653 -11.02979 29.31304 
1 1 1   14   25    4 o   79.734   10.534   16.515   3.7292   13.851   5.7894   18.405   4.8753   72.544   17.316   86.924   12.001 -14.37946 21.06841 
1 1 1   14   25    5 f   93.028   14.321   23.828   5.6566   21.039   10.508   24.967   6.7122   85.716   24.810  100.339   14.314 -14.62235 28.64284 
1 1 1   14   25    6 o  115.854   14.142   33.273   7.6570   0.0000   0.0000   33.273   7.6570  ?   ?   115.854   14.142      ?      ? 
1 1 1   14   25    7 o  113.592   13.959   34.612   6.6820   32.804   11.668   35.494   8.1509  107.854   23.787  119.331   14.615 -11.47677 27.91852 
1 1 1   14   25    8 o   54.731   12.657   8.0081   4.0644   0.4955   7.7791   10.829   4.7668   45.147   19.664   64.314   15.940 -19.16721 25.31328 
1 1 1   14   25    9 o   90.264   13.456   18.949   5.1217   31.108   9.7658   14.337   6.0154  107.221   20.231   73.308   17.748 33.91287 26.91205 
1 1 1   14   25   10 o  129.305   15.311   47.673   7.4249   40.863   14.896   49.924   8.5647  116.344   27.780  142.266   12.881 -25.92224 30.62132 
1 1 1   14   25   11 o  124.782   16.045   48.257   7.3490   33.386   15.027   52.932   8.4252  102.767   29.648  146.796   12.281 -44.02901 32.09073 
1 1 1   14   25   12 o   79.965   14.097   17.309   4.6871   16.672   10.091   17.484   5.2926   75.990   24.757   83.941   13.491 -7.951530 28.19473 
1 1 1   14   25   13 o   29.600   14.344  -9.0271   6.1415   0.0000   0.0000  -9.0271   6.1415  ?   ?    29.600   14.344      ?      ? 
1 1 1   14   25   14 o  115.225   12.747   32.699   6.8644   0.0000   0.0000   32.699   6.8644  ?   ?   115.225   12.747      ?      ? 
1 1 1   14   25   15 o   62.557   13.242   11.431   4.3831   3.4372   8.8966   13.993   5.0368   51.622   21.711   73.491   15.168 -21.86882 26.48481 
1 1 1   14   25   16 o  110.002   12.175   27.543   5.5921   39.901   11.377   23.605   6.4214  122.736   19.833   97.267   14.126 25.46856 24.34971 
1 1 1   14   25   17 o   80.894   13.765   19.157   4.7364   13.829   9.8665   20.753   5.3993   70.091   24.477   91.698   12.599 -21.60735 27.52936 
1 1 1   14   25   18 o   95.657   13.815   24.495   5.1980   25.279   10.729   24.254   5.9419   92.441   24.456   98.873   12.859 -6.432121 27.63089 
1 1 1   14   25   19 o   65.271   17.346   11.656   7.2100   12.939   9.6404   10.027   10.861   67.465   24.136   63.077   24.920 4.387917 34.69227 
1 1 1   14   25   20 o  100.182   16.526   29.901   8.8502   10.988   12.240   50.623   12.812   64.714   26.153  135.649   20.209 -70.93537 33.05138 
1 1 1   14   25   21 o  112.412   12.438   29.106   5.6070   44.147   12.213   25.089   6.3114  125.378   20.843   99.446   13.580 25.93218 24.87653 
1 1 1   14   25   22 o   79.700   13.973   16.674   4.5084   21.160   9.6453   15.419   5.0999   82.999   23.694   76.401   14.818 6.598518 27.94610 
1 1 1   14   25   23 o   35.328   11.196   0.0132   3.1004  -3.0381   7.5211   0.6379   3.4030   39.093   17.969   31.563   13.359 7.530245 22.39100 
1 1 1   14   25   24 o   88.189   13.385   18.596   4.4699   26.977   10.308   16.655   4.9606   94.976   23.380   81.402   13.039 13.57352 26.77021 
1 1 1   14   25   25 o  112.083   11.007   28.692   5.1827   52.724   9.2365   17.648   6.2612  143.871   13.737   80.295   17.203 63.57588 22.01472 
1 1 1   14   25   26 o  108.447   14.579   35.469   6.9559   27.352   10.822   41.183   9.0796   92.132   24.651  124.762   15.572 -32.63038 29.15741 
1 1 1   14   25   27 o   46.758   13.188   4.7656   3.9474   5.2512   7.8571   4.6016   4.5653   49.712   20.617   43.805   16.452 5.907024 26.37666 
1 1 1   14   25   28 o   67.372   13.398   13.889   4.2777   11.681   8.0583   14.755   5.0476   61.363   22.055   73.381   15.217 -12.01735 26.79508 
1 1 1   14   25   29 o   59.762   12.585   5.5525   3.8060   22.203   8.0146   0.7041   4.3248   85.342   20.376   34.183   14.775 51.15949 25.16923 
1 1 1   14   25   30 o   95.125   12.273   23.633   5.1402   34.518   8.9878   18.342   6.2662  110.516   17.401   79.735   17.312 30.78082 24.54611 
1 1 1   14   25   31 o   50.313   14.628   6.0866   5.6573   2.8967   8.0634   9.1792   7.9393   45.384   19.887   55.242   21.458 -9.857361 29.25628 
1 1 1   14   25   32 o   74.170   14.968   18.409   5.0545   15.109   13.022   18.995   5.4845   63.857   26.517   84.482   13.891 -20.62489 29.93505 
1 1 1   14   25   33 o   49.976   14.435   6.5853   4.6158   1.7808   12.888   7.2923   4.9438   49.703   23.084   50.249   17.339 -0.5467529 28.87060 
1 1 1   14   25   34 o   93.699   15.942   25.311   5.8188   40.467   13.106   21.591   6.4939  101.634   27.098   85.765   16.802 15.86920 31.88448 
1 1 1   14   25   35 o   47.093   14.853   4.3898   5.8221   5.9222   12.403   3.9567   6.5936   50.831   23.257   43.356   18.482 7.475071 29.70690 
1 1 1   14   26    0 o  196.885   10.442   95.295   13.412   95.295   13.412   95.295   13.412  196.885   14.767  196.885   14.767 -0.000000 0.000000 
1 1 1   14   26    1 o  134.001   11.449   45.542   7.1616   44.233   9.8497   47.010   10.431  132.118   15.952  135.883   16.426 -3.765427 22.89723 
1 1 1   14   26    2 o   86.037   12.358   20.402   4.8672   27.835   6.6575   11.867   7.1335  106.012   13.437   66.062   20.744 39.95000 24.71579 
1 1 1   14   26    3 o  103.031   13.914   29.694   6.2197   23.442   10.141   33.464   7.8746   90.396   23.711  115.666   14.567 -25.27022 27.82818 
1 1 1   14   26    4 o   56.805   13.270   6.4519   3.4305   12.945   7.8077   4.8985   3.8188   68.570   21.724   45.039   15.246 23.53118 26.53956 
1 1 1   14   26    5 o   63.194   13.162   11.346   4.0584   6.7123   8.3178   12.794   4.6494   55.958   21.900   70.431   14.604 -14.47240 26.32310 
1 1 1   14   26    6 o   58.801   13.916   8.7959   4.4086   10.291   7.1018   7.8586   5.6234   62.218   20.792   55.384   18.502 6.833416 27.83225 
1 1 1   14   26    7 o  120.804   13.592   37.889   7.0170   41.059   12.320   36.368   8.5369  121.452   22.535  120.157   15.202 1.295013 27.18368 
1 1 1   14   26    8 f  195.960   18.167  109.488   15.360  109.742   26.927  109.365   18.701  188.655   30.540  203.265   19.686 -14.61012 36.33489 
1 1 1   14   26    9 o  138.374   15.746   53.651   8.9343   49.897   15.977   55.359   10.777  128.983   27.352  147.764   15.606 -18.78067 31.49113 
1 1 1   14   26   10 o  101.734   16.444   29.275   8.0176   40.757   11.759   19.298   10.960  123.131   20.434   80.336   25.769 42.79563 32.88763 
1 1 1   14   26   11 o   94.181   13.120   22.976   4.9745   25.281   9.8876   22.195   5.7560   93.833   22.777   94.529   13.029 -0.6956558 26.24002 
1 1 1   14   26   12 o  126.646   15.748   50.177   7.4012   34.340   14.581   55.673   8.5901  103.222   29.017  150.070   12.248 -46.84792 31.49588 
1 1 1   14   26   13 o   93.146   15.900   25.238   6.6420   24.711   11.234   25.522   8.2356   89.666   25.562   96.626   18.914 -6.960251 31.79905 
1 1 1   14   26   14 o   62.254   14.158   10.232   4.1883   11.586   8.8112   9.8370   4.7606   64.128   23.060   60.379   16.432 3.749321 28.31568 
1 1 1   14   26   15 o  118.843   13.426   35.563   6.3896   45.889   12.916   32.218   7.3523  125.165   22.926  112.522   13.981 12.64254 26.85264 
1 1 1   14   26   16 o   44.634   12.835   3.4528   3.9603   4.0403   7.0899   3.1864   4.7746   47.797   19.681   41.472   16.479 6.325024 25.66907 
1 1 1   14   26   17 o  120.539   15.206   42.842   6.7455   38.536   14.135   44.112   7.6759  108.375   27.779  132.702   12.377 -24.32719 30.41142 
1 1 1   14   26   18 o  103.326   12.274   21.322   5.0790   48.896   10.975   13.807   5.7295  135.750   17.299   70.902   17.417 64.84806 24.54751 
1 1 1   14   26   19 o   64.152   15.492   11.942   5.6547   8.6664   9.5835   13.692   7.0038   59.104   23.390   69.200   20.321 -10.09566 30.98420 
1 1 1   14   26   20 o   60.078   14.115   9.2052   3.9473   11.256   9.1269   8.7334   4.3779   63.183   23.354   56.973   15.859 6.209854 28.22960 
1 1 1   14   26   21 o  109.205   13.025   30.219   6.6475   0.0000   0.0000   30.219   6.6475  ?   ?   109.205   13.025      ?      ? 
1 1 1   14   26   22 o  150.646   18.949   76.591   11.800   62.402   20.046   84.113   14.596  126.354   33.429  174.938   17.853 -48.58445 37.89775 
1 1 1   14   26   23 o   35.682   11.381  -0.2911   2.9844   1.5546   7.4455  -0.6444   3.2576   43.506   19.086   27.859   12.403 15.64735 22.76201 
1 1 1   14   26   24 o   65.837   13.279   13.674   4.1325   9.3714   8.9889   14.827   4.6533   57.180   22.645   74.494   13.877 -17.31440 26.55858 
1 1 1   14   26   25 o   78.085   14.533   15.759   4.2922   24.600   10.712   14.068   4.6847   84.154   25.235   72.015   14.422 12.13853 29.06544 
1 1 1   14   26   26 o   54.039   14.168   8.1491   4.1666   7.3713   10.166   8.3061   4.5679   54.110   23.005   53.968   16.543 0.1417313 28.33561 
1 1 1   14   26   27 o   92.374   15.336   29.922   5.9073   22.324   13.100   31.861   6.6184   74.201   27.870  110.547   12.810 -36.34608 30.67276 
1 1 1   14   26   28 o   94.198   12.558   25.122   4.9960   26.953   8.9817   24.301   6.0119   92.415   21.241   95.981   13.403 -3.565613 25.11571 
1 1 1   14   26   29 o   66.914   14.780   15.510   4.9042   8.3879   13.968   16.512   5.2376   56.696   25.430   77.131   15.070 -20.43525 29.56048 
1 1 1   14   26   30 o   40.965   13.323   0.4973   3.7940   4.5078   11.288  -0.0135   4.0283   50.432   22.721   31.497   13.919 18.93474 26.64530 
1 1 1   14   26   31 o   69.418   17.115   12.304   5.0047   32.268   13.915   9.3374   5.3636   83.890   29.081   54.946   18.057 28.94394 34.23074 
1 1 1   14   26   32 o   44.575   13.764   3.7878   3.9099   5.5978   11.734   3.5617   4.1469   50.136   22.816   39.015   15.403 11.12056 27.52890 
1 1 1   14   27    0 o   54.034   13.471   9.4115   4.3692   9.4115   4.3692   9.4115   4.3692   54.034   19.051   54.034   19.051 -0.000000 0.000000 
1 1 1   14   27    1 o   91.364   9.5510   20.527   4.0236   17.534   5.2083   24.957   6.3365   83.394   13.364   99.334   13.649 -15.94023 19.10200 
1 1 1   14   27    2 o   46.835   10.694   5.5023   2.7755   3.3497   3.9477   7.6065   3.9030   40.131   15.247   53.538   14.999 -13.40674 21.38824 
1 1 1   14   27    3 o   57.087   12.783   9.1698   3.6288   5.8921   7.9241   10.040   4.0820   52.530   21.108   61.644   14.425 -9.113674 25.56635 
1 1 1   14   27    4 o   49.746   12.122   5.6043   4.2515  -5.3417   7.4644   10.861   5.1726   36.533   17.162   62.959   17.125 -26.42657 24.24472 
1 1 1   14   27    5 o  100.046   14.716   28.756   6.4237   27.157   11.005   29.582   7.9115   93.595   24.771  106.496   15.896 -12.90086 29.43284 
1 1 1   14   27    6 o   61.268   12.865   10.796   4.5553   2.6533   7.3424   15.891   5.8082   46.039   19.562   76.496   16.714 -30.45760 25.72950 
1 1 1   14   27    7 o   88.193   13.782   23.518   4.9676   17.973   10.079   25.297   5.7093   75.766   24.745  100.619   12.141 -24.85284 27.56317 
1 1 1   14   27    8 o   99.688   14.488   27.039   6.1552   32.651   11.032   24.502   7.4171  104.447   23.203   94.929   17.358 9.517448 28.97692 
1 1 1   14   27    9 o  140.211   13.761   51.678   8.4944   61.946   15.153   46.973   10.258  146.863   22.077  133.559   16.434 13.30452 27.52196 
1 1 1   14   27   10 o  172.378   24.225  107.150   18.817  100.798   26.772  113.351   26.452  163.986   35.926  180.769   32.506 -16.78235 48.44907 
1 1 1   14   27   11 o  165.276   13.571   66.959   9.9021  101.139   17.976   52.070   11.864  191.346   20.102  139.206   18.236 52.13992 27.14155 
1 1 1   14   27   12 o   90.576   14.526   23.332   5.7630   23.377   9.9364   23.309   7.0744   87.946   23.658   93.207   16.861 -5.260376 29.05184 
1 1 1   14   27   13 o  162.060   16.119   77.538   10.940   66.506   18.137   83.847   13.715  145.093   27.759  179.027   16.393 -33.93469 32.23785 
1 1 1   14   27   14 o  135.883   16.340   53.153   9.6669   56.343   16.196   51.388   12.048  134.092   26.782  137.673   18.726 -3.580994 32.67908 
1 1 1   14   27   15 o   80.388   13.993   18.298   4.8243   18.118   9.6795   18.358   5.5647   76.114   24.196   84.662   14.064 -8.547874 27.98626 
1 1 1   14   27   16 o   36.489   11.810  -2.1357   4.4870  -5.1815   7.4643  -0.4123   5.6147   36.267   17.076   36.711   16.318 -0.4433670 23.61904 
1 1 1   14   27   17 o   81.116   13.850   15.748   4.4545   27.521   9.8371   12.712   4.9961   94.369   22.602   67.863   16.011 26.50634 27.69906 
1 1 1   14   27   18 o  106.540   15.336   36.021   6.2877   30.715   13.060   37.623   7.1739   91.884   27.934  121.197   12.665 -29.31345 30.67157 
1 1 1   14   27   19 o   48.526   13.517   5.2720   3.7688   6.7905   8.8190   4.9328   4.1686   52.957   21.892   44.095   15.861 8.861179 27.03423 
1 1 1   14   27   20 o   55.203   13.624   7.8733   3.8351   11.528   7.8655   6.7335   4.3926   60.950   21.801   49.456   16.345 11.49381 27.24826 
1 1 1   14   27   21 o   77.856   13.736   16.965   4.4071   21.060   9.1796   15.738   5.0240   79.715   23.223   75.997   14.676 3.717499 27.47178 
1 1 1   14   27   22 o   38.192   11.740   1.8635   3.2728  -2.6441   8.4692   2.6548   3.5484   40.058   18.641   36.326   14.278 3.731834 23.48052 
1 1 1   14   27   23 o   53.713   13.565   8.2802   5.1625  -2.6502   9.1213   13.432   6.2621   41.175   19.222   66.251   19.146 -25.07569 27.13045 
1 1 1   14   27   24 o   65.820   14.195   9.3422   3.8143   23.435   9.5342   6.6570   4.1618   82.904   23.520   48.737   15.900 34.16687 28.39011 
1 1 1   14   27   25 o   77.884   14.161   16.522   4.9648   0.0000   0.0000   16.522   4.9648  ?   ?    77.884   14.161      ?      ? 
1 1 1   14   27   26 o   59.184   15.507   9.9986   4.3409   0.0000   0.0000   9.9986   4.3409  ?   ?    59.184   15.507      ?      ? 
1 1 1   14   27   27 o   35.515   14.941   1.8360   4.2148   0.0000   0.0000   1.8360   4.2148  ?   ?    35.515   14.941      ?      ? 
1 1 1   14   27   28 o   93.691   18.101   26.686   7.6388   0.0000   0.0000   26.686   7.6388  ?   ?    93.691   18.101      ?      ? 
1 1 1   14   28    0 o  144.835   9.3594   52.193   8.7874   52.193   8.7874   52.193   8.7874  144.835   13.236  144.835   13.236 -0.000000 0.000000 
1 1 1   14   28    1 o  101.186   8.7858   25.765   4.1279   22.653   5.8446   28.862   5.8309   94.612   13.218  107.760   11.578 -13.14744 17.57162 
1 1 1   14   28    2 o   86.975   10.948   21.048   4.0858   15.693   6.5382   24.479   5.2335   74.575   18.773   99.375   11.269 -24.80011 21.89504 
1 1 1   14   28    3 f  105.593   9.5736   28.969   4.5688   25.103   7.0838   31.723   5.9784   98.128   15.446  113.059   11.315 -14.93144 19.14719 
1 1 1   14   28    4 o   64.319   12.144   13.138   4.1314   2.7542   8.5426   16.309   4.7202   48.169   20.793   80.470   12.551 -32.30146 24.28756 
1 1 1   14   28    5 o   61.278   13.374   8.3145   3.6214   16.477   7.9671   6.1887   4.0656   74.096   21.649   48.460   15.710 25.63623 26.74866 
1 1 1   14   28    6 o   80.886   14.727   19.694   5.4561   18.061   9.4916   20.500   6.6678   75.468   23.956   86.303   17.136 -10.83521 29.45419 
1 1 1   14   28    7 o   62.872   14.222   10.317   4.5246   16.340   8.0242   7.5091   5.4786   73.135   21.821   52.609   18.247 20.52547 28.44475 
1 1 1   14   28    8 o   53.056   11.928   7.5542   4.3040  -4.8818   7.6913   13.224   5.1933   36.979   17.387   69.133   16.333 -32.15342 23.85572 
1 1 1   14   28    9 o   45.377   10.720  -4.0817   3.2176   15.119   6.5732 -10.1321   3.6899   71.794   19.212   18.961   9.5173 52.83285 21.44054 
1 1 1   14   28   10 o   80.643   14.311   17.034   5.0896   27.948   9.4414   12.563   6.0428   95.788   21.605   65.497   18.773 30.29048 28.62176 
1 1 1   14   28   11 o   66.339   14.360   11.658   4.2866   17.674   8.9463   9.8649   4.8838   73.689   23.244   58.989   16.867 14.69995 28.71908 
1 1 1   14   28   12 o   93.029   14.735   25.807   6.7666   41.134   10.153   13.561   9.0760  121.215   17.923   64.843   23.394 56.37268 29.47024 
1 1 1   14   28   13 o   44.795   13.246   2.5325   4.8330  -1.5977   6.5887   7.3433   7.1108   37.231   17.003   52.359   20.316 -15.12852 26.49211 
1 1 1   14   28   14 o   59.329   15.634   10.376   5.8333   7.4439   7.7654   14.174   8.8372   52.870   21.013   65.787   23.154 -12.91654 31.26726 
1 1 1   14   28   15 o   59.605   13.480   10.904   4.2202   8.5007   7.8531   11.880   5.0042   54.642   21.309   64.568   16.517 -9.926182 26.96048 
1 1 1   14   28   16 o   37.964   16.858   0.3127   5.9785   0.0000   0.0000   0.3127   5.9785  ?   ?    37.964   16.858      ?      ? 
1 1 1   14   28   17 o   36.392   11.518   0.4875   3.3261  -0.0003   7.5583   0.6046   3.7040   40.947   18.506   31.837   13.718 9.110317 23.03574 
1 1 1   14   28   18 o   40.897   12.559   1.7358   3.5296   4.8016   8.3268   1.0643   3.8970   48.407   20.706   33.387   14.220 15.02003 25.11853 
1 1 1   14   28   19 o  121.598   11.964   35.361   5.9850   57.249   12.619   29.009   6.7983  138.812   19.452  104.384   13.935 34.42800 23.92836 
1 1 1   14   28   20 o   53.607   13.814   8.1550   3.9868   8.0488   9.2351   8.1794   4.4199   53.823   22.339   53.391   16.255 0.4316063 27.62718 
1 1 1   14   28   21 o   87.008   20.315   23.591   8.1109   0.0000   0.0000   23.591   8.1109  ?   ?    87.008   20.315      ?      ? 
1 1 1   14   28   22 o   67.954   19.398   14.515   6.4648   0.0000   0.0000   14.515   6.4648  ?   ?    67.954   19.398      ?      ? 
1 1 1   14   28   23 o   25.203   11.703  -2.0056   3.3096   0.0000   0.0000  -2.0056   3.3096  ?   ?    25.203   11.703      ?      ? 
1 1 1   14   28   24 o   39.990   15.721   3.8397   4.3027   0.0000   0.0000   3.8397   4.3027  ?   ?    39.990   15.721      ?      ? 
1 1 1   14   29    0 o  108.998   8.6014   30.049   5.9990   30.049   5.9990   30.049   5.9990  108.998   12.164  108.998   12.164 -0.000000 0.000000 
1 1 1   14   29    1 o   36.150   10.043   1.9953   2.6686   4.6553   3.7358  -0.7763   3.8133   42.607   15.048   29.693   13.305 12.91382 20.08636 
1 1 1   14   29    2 o   44.755   11.140   4.2035   3.2104   0.1983   4.3335   9.0760   4.7797   33.244   14.573   56.266   16.853 -23.02153 22.27995 
1 1 1   14   29    3 o   41.247   11.321   3.7920   2.9559   3.7186   5.4125   3.8232   3.5286   42.739   17.350   39.755   14.549 2.983875 22.64242 
1 1 1   14   29    4 o   62.251   12.292   11.623   3.6199   9.7088   6.7193   12.406   4.2968   56.869   20.171   67.632   14.053 -10.76325 24.58342 
1 1 1   14   29    5 f   56.619   13.429   9.0437   3.7860   10.186   7.9466   8.7083   4.3062   57.711   21.700   55.527   15.825 2.184124 26.85746 
1 1 1   14   29    6 o   61.728   12.673   11.735   3.7477   9.0197   7.6175   12.602   4.3048   55.299   21.139   68.158   13.983 -12.85897 25.34534 
1 1 1   14   29    7 o   41.618   11.161   4.1801   3.1022  -0.5611   6.1705   5.7838   3.5887   37.155   16.763   46.081   14.742 -8.925865 22.32301 
1 1 1   14   29    8 o   44.239   10.411   0.3371   2.8075   12.847   5.6152  -3.8322   3.2417   65.933   17.805   22.544   10.795 43.38858 20.82218 
1 1 1   14   29    9 o   75.593   14.426   15.619   4.9107   0.0000   0.0000   15.619   4.9107  ?   ?    75.593   14.426      ?      ? 
1 1 1   14   29   10 o   94.023   15.169   26.925   6.3306   32.632   10.550   23.714   7.9136   99.717   23.093   88.329   19.675 11.38808 30.33783 
1 1 1   14   29   11 o  107.918   15.317   36.230   7.1465   37.473   12.356   35.605   8.7604  103.037   25.736  112.799   16.618 -9.761955 30.63478 
1 1 1   14   29   12 o   83.634   14.549   23.486   5.8809   16.469   10.001   27.194   7.2709   67.765   24.540   99.502   15.636 -31.73712 29.09761 
1 1 1   14   29   13 o   66.164   13.988   12.939   5.5931   23.532   7.9815   2.7177   7.8402   87.563   19.949   44.764   19.613 42.79945 27.97534 
1 1 1   14   29   14 o   57.809   13.606   8.5330   4.9460   18.022   7.4576   1.0819   6.6085   75.406   20.585   40.212   17.797 35.19406 27.21110 
1 1 1   14   29   15 o   65.335   23.919   15.152   9.5385   0.0000   0.0000   15.152   9.5385  ?   ?    65.335   23.919      ?      ? 
1 1 1   14   29   16 o   60.697   15.909   10.644   4.5678   0.0000   0.0000   10.644   4.5678  ?   ?    60.697   15.909      ?      ? 
1 1 1   14   29   17 o   41.193   17.367   3.1382   5.7147   0.0000   0.0000   3.1382   5.7147  ?   ?    41.193   17.367      ?      ? 
1 1 1   14   29   18 o   27.449   12.447  -0.9797   3.4519   0.0000   0.0000  -0.9797   3.4519  ?   ?    27.449   12.447      ?      ? 
1 1 1   14   29   19 o   38.650   15.636   3.2341   4.3797   0.0000   0.0000   3.2341   4.3797  ?   ?    38.650   15.636      ?      ? 
1 1 1   14   30    0 o  113.018   9.1104   32.719   6.5767   32.719   6.5767   32.719   6.5767  113.018   12.884  113.018   12.884 -0.000000 0.000000 
1 1 1   14   30    1 o   82.276   12.350   17.611   4.2653   26.524   8.1139   14.207   5.0140   93.682   19.178   70.870   15.564 22.81266 24.69914 
1 1 1   14   30    2 o   39.357   10.128   3.2504   2.8330  -1.9123   4.5273   6.5731   3.6320   30.207   13.906   48.506   14.728 -18.29851 20.25525 
1 1 1   14   30    3 o   61.355   11.372   12.515   3.9021   2.5319   7.4037   16.355   4.5917   43.514   19.062   79.196   12.406 -35.68213 22.74345 
1 1 1   14   30    4 o   63.363   12.358   12.899   3.8515   8.6102   7.1393   14.660   4.5742   53.464   20.458   73.262   13.868 -19.79766 24.71536 
1 1 1   14   30    5 o   69.324   13.104   15.381   4.6531   9.2285   6.9859   20.287   6.2383   54.616   20.383   84.033   16.473 -29.41736 26.20778 
1 1 1   14   30    6 o   37.904   14.597   3.2872   3.6497   0.0000   0.0000   3.2872   3.6497  ?   ?    37.904   14.597      ?      ? 
1 1 1   14   30    7 o   40.592   16.449   3.5393   4.8556   0.0000   0.0000   3.5393   4.8556  ?   ?    40.592   16.449      ?      ? 
1 1 1   14   30    8 o   26.844   12.180  -1.0488   3.3122   0.0000   0.0000  -1.0488   3.3122  ?   ?    26.844   12.180      ?      ? 
1 1 1   14   30    9 o  100.002   13.141   26.775   6.1418   0.0000   0.0000   26.775   6.1418  ?   ?   100.002   13.141      ?      ? 
1 1 1   14   30   10 o   27.299   13.224  -6.2518   5.2087   0.0000   0.0000  -6.2518   5.2087  ?   ?    27.299   13.224      ?      ? 
1 1 1   14   30   11 o   41.918   15.730   4.6432   4.1713   0.0000   0.0000   4.6432   4.1713  ?   ?    41.918   15.730      ?      ? 
1 1 1   14   30   12 o   53.334   19.903   9.1963   6.6602   0.0000   0.0000   9.1963   6.6602  ?   ?    53.334   19.903      ?      ? 
1 1 1   15    0    1 o  470.154   18.268  531.322   56.374  531.322   56.374  531.322   56.374  470.154   25.835  470.154   25.835 -0.000000 0.000000 
1 1 1   15    0    2 o  181.436   8.4128   78.231   9.9889   78.231   9.9889   78.231   9.9889  181.436   11.898  181.436   11.898 -0.000000 0.000000 
1 1 1   15    0    3 o  382.180   15.045  349.069   37.735  349.069   37.735  349.069   37.735  382.180   21.277  382.180   21.277 -0.000000 0.000000 
1 1 1   15    0    4 o  403.254   15.825  389.211   41.880  389.211   41.880  389.211   41.880  403.254   22.380  403.254   22.380 -0.000000 0.000000 
1 1 1   15    0    5 o  371.843   14.724  330.411   35.928  330.411   35.928  330.411   35.928  371.843   20.823  371.843   20.823 -0.000000 0.000000 
1 1 1   15    0    6 o  101.374   7.0373   24.774   4.6108   24.774   4.6108   24.774   4.6108  101.374   9.9523  101.374   9.9523 -0.000000 0.000000 
1 1 1   15    0    7 f   22.720   9.6151   1.2545   2.5726   1.2545   2.5726   1.2545   2.5726   22.720   13.598   22.720   13.598 -0.000000 0.000000 
1 1 1   15    0    8 o   71.238   8.5535   12.885   3.6786   12.885   3.6786   12.885   3.6786   71.238   12.096   71.238   12.096 -0.000000 0.000000 
1 1 1   15    0    9 o  125.636   7.7171   37.860   6.2968   37.860   6.2968   37.860   6.2968  125.636   10.914  125.636   10.914 -0.000000 0.000000 
1 1 1   15    0   10 o  135.939   8.6526   44.447   7.6292   44.447   7.6292   44.447   7.6292  135.939   12.237  135.939   12.237 -0.000000 0.000000 
1 1 1   15    0   11 o  287.251   13.253  197.741   24.916  197.741   24.916  197.741   24.916  287.251   18.743  287.251   18.743 -0.000000 0.000000 
1 1 1   15    0   12 o  291.919   26.287  218.262   48.474  218.262   48.474  218.262   48.474  291.919   37.175  291.919   37.175 -0.000000 0.000000 
1 1 1   15    0   13 o   97.637   11.526   24.250   6.8149   24.250   6.8149   24.250   6.8149   97.637   16.301   97.637   16.301 -0.000000 0.000000 
1 1 1   15    0   14 o  281.246   15.887  191.896   29.098  191.896   29.098  191.896   29.098  281.246   22.467  281.246   22.467 -0.000000 0.000000 
1 1 1   15    0   15 o  247.132   12.251  146.463   19.784  146.463   19.784  146.463   19.784  247.132   17.325  247.132   17.325 -0.000000 0.000000 
1 1 1   15    0   16 o  371.438   17.243  334.108   41.911  334.108   41.911  334.108   41.911  371.438   24.385  371.438   24.385 -0.000000 0.000000 
1 1 1   15    0   17 o  126.039   8.8736   38.446   7.2239   38.446   7.2239   38.446   7.2239  126.039   12.549  126.039   12.549 -0.000000 0.000000 
1 1 1   15    0   18 o  182.813   10.323   80.281   12.290   80.281   12.290   80.281   12.290  182.813   14.599  182.813   14.599 -0.000000 0.000000 
1 1 1   15    0   19 o   81.946   10.479   17.274   5.1244   17.274   5.1244   17.274   5.1244   81.946   14.819   81.946   14.819 -0.000000 0.000000 
1 1 1   15    0   20 o   58.344   12.862   10.057   4.3483   10.057   4.3483   10.057   4.3483   58.344   18.190   58.344   18.190 -0.000000 0.000000 
1 1 1   15    0   21 o  245.696   11.586  144.723   18.622  144.723   18.622  144.723   18.622  245.696   16.385  245.696   16.385 -0.000000 0.000000 
1 1 1   15    0   22 o  158.963   8.7376   60.560   9.0525   60.560   9.0525   60.560   9.0525  158.963   12.357  158.963   12.357 -0.000000 0.000000 
1 1 1   15    0   23 o  154.874   9.3566   57.786   9.4167   57.786   9.4167   57.786   9.4167  154.874   13.232  154.874   13.232 -0.000000 0.000000 
1 1 1   15    0   24 o  165.472   10.328   66.236   11.093   66.236   11.093   66.236   11.093  165.472   14.606  165.472   14.606 -0.000000 0.000000 
1 1 1   15    0   25 o  111.035   8.8175   30.144   6.2612   30.144   6.2612   30.144   6.2612  111.035   12.470  111.035   12.470 -0.000000 0.000000 
1 1 1   15    0   26 o  140.801   8.7376   47.806   7.9872   47.806   7.9872   47.806   7.9872  140.801   12.357  140.801   12.357 -0.000000 0.000000 
1 1 1   15    0   27 o  483.921   20.526  579.594   65.109  579.594   65.109  579.594   65.109  483.921   29.028  483.921   29.028 -0.000000 0.000000 
1 1 1   15    0   28 o  159.376   8.7678   60.960   9.1072   60.960   9.1072   60.960   9.1072  159.376   12.400  159.376   12.400 -0.000000 0.000000 
1 1 1   15    0   29 f   64.228   14.236   12.296   5.3040   12.296   5.3040   12.296   5.3040   64.228   20.133   64.228   20.133 -0.000000 0.000000 
1 1 1   15    0   30 o  113.680   16.309   34.572   10.848   34.572   10.848   34.572   10.848  113.680   23.064  113.680   23.064 -0.000000 0.000000 
1 1 1   15    0   31 o  110.328   10.895   30.521   7.5010   30.521   7.5010   30.521   7.5010  110.328   15.408  110.328   15.408 -0.000000 0.000000 
1 1 1   15    0   32 o   85.024   12.528   19.243   6.2067   19.243   6.2067   19.243   6.2067   85.024   17.717   85.024   17.717 -0.000000 0.000000 
1 1 1   15    0   33 o  124.646   9.1017   37.877   7.3151   37.877   7.3151   37.877   7.3151  124.646   12.872  124.646   12.872 -0.000000 0.000000 
1 1 1   15    0   34 o   93.037   14.402   23.383   7.7542   23.383   7.7542   23.383   7.7542   93.037   20.367   93.037   20.367 -0.000000 0.000000 
1 1 1   15    0   35 o  175.113   12.838   75.574   14.493   75.574   14.493   75.574   14.493  175.113   18.156  175.113   18.156 -0.000000 0.000000 
1 1 1   15    0   36 o  150.854   12.559   56.529   12.067   56.529   12.067   56.529   12.067  150.854   17.761  150.854   17.761 -0.000000 0.000000 
1 1 1   15    0   37 o  194.794   13.805   94.177   17.364   94.177   17.364   94.177   17.364  194.794   19.523  194.794   19.523 -0.000000 0.000000 
1 1 1   15    0   38 o   27.735   12.866  -0.6708   5.9082  -0.6708   5.9082  -0.6708   5.9082   27.735   18.195   27.735   18.195 -0.000000 0.000000 
1 1 1   15    0   39 o  178.725   13.190   79.191   15.192   79.191   15.192   79.191   15.192  178.725   18.653  178.725   18.653 -0.000000 0.000000 
1 1 1   15    0   40 o   66.325   17.670   14.422   7.2489   14.422   7.2489   14.422   7.2489   66.325   24.989   66.325   24.989 -0.000000 0.000000 
1 1 1   15    0   41 o   87.452   16.113   21.854   8.0478   21.854   8.0478   21.854   8.0478   87.452   22.787   87.452   22.787 -0.000000 0.000000 
1 1 1   15    0   42 o   75.258   17.275   17.504   7.6001   17.504   7.6001   17.504   7.6001   75.258   24.430   75.258   24.430 -0.000000 0.000000 
1 1 1   15    0   43 o   18.711   9.5049  -9.2436   5.6631  -9.2436   5.6631  -9.2436   5.6631   18.711   13.442   18.711   13.442 -0.000000 0.000000 
1 1 1   15    0   44 o   37.426   15.620   4.2263   6.6192   4.2263   6.6192   4.2263   6.6192   37.426   22.091   37.426   22.091 -0.000000 0.000000 
1 1 1   15    0   45 o   98.296   22.769   31.188   13.112   31.188   13.112   31.188   13.112   98.296   32.200   98.296   32.200 -0.000000 0.000000 
1 1 1   15    0   47 o  177.247   13.542   79.754   15.396   79.754   15.396   79.754   15.396  177.247   19.152  177.247   19.152 -0.000000 0.000000 
1 1 1   15    0   48 o  116.472   17.353   38.120   11.758   38.120   11.758   38.120   11.758  116.472   24.541  116.472   24.541 -0.000000 0.000000 
1 1 1   15    0   49 o   48.244   17.012   8.7694   6.5969   8.7694   6.5969   8.7694   6.5969   48.244   24.059   48.244   24.059 -0.000000 0.000000 
1 1 1   15    0   50 o   84.845   13.592   20.066   6.6463   20.066   6.6463   20.066   6.6463   84.845   19.222   84.845   19.222 -0.000000 0.000000 
1 1 1   15    0   51 o  168.436   14.233   74.704   15.247   74.704   15.247   74.704   15.247  168.436   20.128  168.436   20.128 -0.000000 0.000000 
1 1 1   15    0   52 o   69.141   16.370   15.453   6.6739   15.453   6.6739   15.453   6.6739   69.141   23.150   69.141   23.150 -0.000000 0.000000 
1 1 1   15    0   53 o   30.217   13.540   1.5702   5.8416   1.5702   5.8416   1.5702   5.8416   30.217   19.149   30.217   19.149 -0.000000 0.000000 
1 1 1   15    0   54 o   37.779   15.205   5.4233   5.9231   5.4233   5.9231   5.4233   5.9231   37.779   21.503   37.779   21.503 -0.000000 0.000000 
1 1 1   15    0   55 o   77.656   15.366   18.652   6.8247   18.652   6.8247   18.652   6.8247   77.656   21.731   77.656   21.731 -0.000000 0.000000 
1 1 1   15    0   56 o   21.762   10.696  -3.8020   5.4378  -3.8020   5.4378  -3.8020   5.4378   21.762   15.127   21.762   15.127 -0.000000 0.000000 
1 1 1   15    0   57 o   22.484   10.959  -2.9958   5.4168  -2.9958   5.4168  -2.9958   5.4168   22.484   15.499   22.484   15.499 -0.000000 0.000000 
1 1 1   15    0   58 o   70.036   18.102   18.059   7.7263   18.059   7.7263   18.059   7.7263   70.036   25.600   70.036   25.600 -0.000000 0.000000 
1 1 1   15    1    0 o  271.882   11.086  175.702   19.770  175.702   19.770  175.702   19.770  271.882   15.678  271.882   15.678 -0.000000 0.000000 
1 1 1   15    1    1 o  260.501   10.676  160.815   12.988  153.711   18.361  167.928   18.374  254.664   15.427  266.339   14.761 -11.67513 21.35172 
1 1 1   15    1    2 o  216.910   9.3339  111.209   9.4472  104.084   13.359  118.337   13.362  209.880   13.620  223.940   12.767 -14.05992 18.66778 
1 1 1   15    1    3 f  181.742   8.2019   77.830   6.9641   75.483   9.8474   80.178   9.8500  178.978   11.773  184.505   11.423 -5.526932 16.40387 
1 1 1   15    1    4 o  138.635   7.3004   45.211   4.7292   46.102   6.6822   44.317   6.6940  140.013   10.212  137.257   10.435 2.756531 14.60071 
1 1 1   15    1    5 o  260.544   10.762  161.098   13.082  171.819   18.502  150.380   18.500  269.347   14.698  251.741   15.724 17.60631 21.52415 
1 1 1   15    1    6 o  299.783   12.054  213.946   16.884  219.729   23.884  208.171   23.870  303.906   16.816  295.659   17.275 8.246674 24.10815 
1 1 1   15    1    7 o  244.574   10.058  141.656   11.492  146.615   16.277  136.728   16.227  248.893   13.993  240.253   14.452 8.640030 20.11621 
1 1 1   15    1    8 o  226.712   10.407  122.271   10.903  118.956   16.581  124.796   14.471  223.733   15.858  229.691   13.481 -5.958008 20.81387 
1 1 1   15    1    9 o  349.435   14.879  295.234   24.003  286.715   36.591  301.669   31.800  344.106   22.753  354.765   19.180 -10.65839 29.75864 
1 1 1   15    1   10 o  256.195   12.206  156.698   14.615  155.576   20.680  157.818   20.657  255.256   17.335  257.135   17.189 -1.879532 24.41268 
1 1 1   15    1   11 o  129.546   11.523   39.938   6.1378   39.875   7.1523   40.115   11.956  129.956   11.776  129.136   19.810 0.8198395 23.04595 
1 1 1   15    1   12 o  171.992   13.417   72.566   9.4837   74.416   11.135   67.679   18.099  177.226   13.443  166.757   23.223 10.46860 26.83376 
1 1 1   15    1   13 o  558.105   35.095  868.157   91.376  918.587  129.247  817.759  129.205  577.416   47.895  538.794   51.311 38.62219 70.19086 
1 1 1   15    1   14 o  243.823   13.260  141.041   14.852  151.857   23.599  133.949   19.110  250.976   20.120  236.671   17.278 14.30533 26.52025 
1 1 1   15    1   15 o  156.814   11.136   58.584   8.1588   56.784   11.475   60.424   11.603  154.347   15.908  159.281   15.587 -4.933365 22.27119 
1 1 1   15    1   16 o  201.215   12.097   98.517   11.025  104.771   14.245   89.178   17.409  209.965   14.517  192.465   19.354 17.50093 24.19352 
1 1 1   15    1   17 o  105.737   11.324   27.656   5.1525   29.128   6.4495   25.058   8.5665  110.931   12.440  100.543   18.925 10.38863 22.64804 
1 1 1   15    1   18 o  137.141   8.9200   44.590   5.7119   42.537   8.0950   46.625   8.0606  133.948   12.931  140.335   12.290 -6.386307 17.84005 
1 1 1   15    1   19 o  236.688   11.435  134.103   12.631  125.989   17.861  142.220   17.865  229.352   16.663  244.024   15.665 -14.67184 22.87070 
1 1 1   15    1   20 o  196.563   10.806   92.130   9.7066   91.710   12.478   92.774   15.447  196.432   13.592  196.695   16.804 -0.2627106 21.61275 
1 1 1   15    1   21 o  151.291   8.7412   54.654   6.1213   62.794   8.6168   46.361   8.6975  162.922   11.317  139.661   13.325 23.26114 17.48244 
1 1 1   15    1   22 o  132.267   9.0542   41.572   5.5936   39.764   7.8725   43.415   7.9492  129.325   13.025  135.209   12.580 -5.883957 18.10831 
1 1 1   15    1   23 o  165.998   9.2546   65.591   7.1771   68.038   10.225   63.213   10.076  169.085   12.940  162.911   13.235 6.173508 18.50920 
1 1 1   15    1   24 o  143.258   9.0873   49.035   6.0638   52.643   8.4830   45.266   8.6713  148.798   12.199  137.718   13.473 11.07982 18.17455 
1 1 1   15    1   25 o  250.706   12.260  152.714   14.309  167.305   20.208  138.040   20.264  263.207   16.428  238.204   18.203 25.00284 24.51958 
1 1 1   15    1   26 o  327.633   14.154  263.443   21.617  242.394   30.551  284.547   30.590  313.879   20.827  341.388   19.173 -27.50839 28.30836 
1 1 1   15    1   27 o  128.694   8.2522   39.294   4.9611   37.710   6.9318   40.957   7.1035  126.020   11.770  131.369   11.570 -5.349449 16.50434 
1 1 1   15    1   28 o   70.349   10.760   12.263   3.4340   13.746   5.0157   10.955   4.7114   74.458   14.933   66.240   15.495 8.218277 21.51972 
1 1 1   15    1   29 o  158.289   10.471   60.813   7.5966   57.006   11.734   63.559   9.9675  153.492   16.357  163.085   13.078 -9.593491 20.94250 
1 1 1   15    1   30 o  146.176   13.034   51.433   8.5570   49.035   10.618   55.876   14.453  142.258   15.971  150.094   20.604 -7.836136 26.06890 
1 1 1   15    1   31 o   37.286   10.583   1.4053   2.9593   3.4735   3.7688  -1.9206   4.7793   41.389   15.053   33.183   14.880 8.206203 21.16628 
1 1 1   15    1   32 o   81.595   10.416   16.205   3.8236   21.814   5.6863   11.575   5.1660   95.466   12.745   67.723   16.479 27.74346 20.83218 
1 1 1   15    1   33 f  129.733   8.7875   40.366   5.3082   43.000   7.3781   37.540   7.6428  134.287   11.756  125.178   13.064 9.109047 17.57496 
1 1 1   15    1   34 f   98.121   12.339   23.836   5.5257   26.321   7.9372   21.500   7.6974  104.092   16.316   92.150   18.516 11.94218 24.67878 
1 1 1   15    1   35 o  135.959   11.954   45.378   7.4910   37.235   10.633   53.401   10.555  123.218   18.465  148.701   15.188 -25.48294 23.90894 
1 1 1   15    1   36 o  196.330   13.202   94.999   12.075   86.515   17.058  103.520   17.095  187.075   19.510  205.585   17.792 -18.51062 26.40459 
1 1 1   15    1   37 o   81.278   12.584   17.000   5.1963   28.978   7.3635   5.1171   7.3341  109.348   14.409   53.208   20.636 56.14010 25.16858 
1 1 1   15    1   38 o   27.769   9.5378 -10.4172   3.9763 -15.6352   5.6590  -5.3286   5.5883   23.802   11.924   31.735   14.889 -7.933426 19.07569 
1 1 1   15    1   39 o   38.280   11.741  -1.0098   4.0051   1.8561   5.6542  -3.8959   5.6740   42.793   17.593   33.767   15.553 9.025917 23.48206 
1 1 1   15    1   40 o  133.033   11.990   43.771   7.4231   48.057   10.485   39.464   10.511  139.953   16.031  126.113   17.833 13.83913 23.97918 
1 1 1   15    1   41 o   63.811   13.109   9.9258   4.7110   16.838   6.5393   2.4675   6.7925   80.862   17.787   46.759   19.260 34.10330 26.21714 
1 1 1   15    1   42 o   84.528   13.924   18.731   5.4237   21.904   7.7699   15.716   7.5744   91.962   18.715   77.095   20.621 14.86729 27.84716 
1 1 1   15    1   43 o  149.029   11.212   55.622   7.6464   59.411   10.097   50.526   11.709  156.032   13.846  142.027   17.640 14.00436 22.42501 
1 1 1   15    1   44 o   78.544   15.438   17.377   5.7601   19.225   6.8480   12.905   10.651   86.168   17.600   70.920   25.369 15.24749 30.87635 
1 1 1   15    1   45 o   53.434   15.793   3.3702   6.6218   1.7805   9.3923   4.9414   9.3372   51.216   21.951   55.653   22.712 -4.436562 31.58649 
1 1 1   15    1   46 o  124.686   27.527   44.858   15.611   44.858   15.611   0.0000   0.0000  124.686   27.527  ?   ?       ?      ? 
1 1 1   15    1   47 f  105.392   26.819   32.620   13.242   32.620   13.242   0.0000   0.0000  105.392   26.819  ?   ?       ?      ? 
1 1 1   15    1   48 o  141.516   13.050   52.213   8.6264   54.157   12.246   50.299   12.154  144.371   18.149  138.661   18.755 5.710098 26.09909 
1 1 1   15    1   49 o   44.587   12.942   1.7700   4.7063   6.0320   6.0063  -5.0086   7.5747   51.266   18.946   37.907   17.636 13.35855 25.88408 
1 1 1   15    1   50 o   66.755   13.990   11.883   4.7040   9.0496   6.2109   15.694   7.2041   58.418   19.442   75.091   20.121 -16.67299 27.97942 
1 1 1   15    1   51 o   63.359   14.142   11.440   4.7279   12.778   6.3009   9.7155   7.1524   67.321   19.127   59.398   20.835 7.922588 28.28341 
1 1 1   15    1   52 o  101.137   11.974   26.916   5.4787   22.152   7.3695   32.801   8.1916   89.801   18.183  112.474   15.584 -22.67342 23.94756 
1 1 1   15    1   53 o   57.507   14.758   7.7164   5.5187   1.8349   7.4873   14.712   8.1659   44.937   19.432   70.077   22.218 -25.13986 29.51693 
1 1 1   15    1   54 o   69.818   14.659   14.325   4.9810   12.389   6.2277   17.763   8.2984   64.660   19.208   74.976   22.148 -10.31628 29.31707 
1 1 1   15    1   55 o   40.868   12.843   0.6096   4.9545   2.1820   6.6674  -1.3293   7.4038   42.413   18.339   39.324   17.984 3.088520 25.68544 
1 1 1   15    1   56 o   83.638   14.229   23.043   5.6735   26.735   7.0750   16.390   9.4963   99.023   15.288   68.253   24.003 30.76973 28.45856 
1 1 1   15    1   57 o   52.179   13.372   7.8807   4.8342   12.071   5.9237  -0.4747   8.3643   62.736   18.755   41.623   19.064 21.11315 26.74353 
1 1 1   15    1   58 o   44.394   13.720  -0.2174   5.5752   11.504   9.1032  -7.2531   7.0527   57.051   22.727   31.738   15.378 25.31286 27.44056 
1 1 1   15    2    0 o  314.662   12.608  235.798   26.029  235.798   26.029  235.798   26.029  314.662   17.831  314.662   17.831 -0.000000 0.000000 
1 1 1   15    2    1 o  306.036   12.172  222.947   17.393  233.597   24.588  212.280   24.607  313.490   16.782  298.582   17.634 14.90854 24.34342 
1 1 1   15    2    2 o  246.329   10.130  143.618   11.655  138.186   16.469  149.067   16.497  241.606   14.586  251.053   14.060 -9.446259 20.25926 
1 1 1   15    2    3 o  326.305   12.882  253.987   19.637  245.966   27.773  262.007   27.769  321.045   18.510  331.565   17.920 -10.51959 25.76362 
1 1 1   15    2    4 o  258.591   10.519  158.436   12.712  158.527   17.983  158.345   17.973  258.666   14.876  258.517   14.876 0.1486816 21.03786 
1 1 1   15    2    5 o  426.337   16.765  440.062   33.404  443.975   47.240  436.150   47.240  428.301   23.600  424.374   23.819 3.927368 33.53075 
1 1 1   15    2    6 o  357.233   13.771  305.676   22.981  295.488   32.494  315.872   32.507  351.130   19.801  363.336   19.144 -12.20529 27.54203 
1 1 1   15    2    7 o  387.940   17.774  366.606   32.222  360.871   45.532  372.359   45.605  384.785   25.319  391.095   24.951 -6.309814 35.54737 
1 1 1   15    2    8 o  244.237   11.589  142.004   13.219  135.045   18.610  149.090   18.779  238.105   16.724  250.369   16.049 -12.26350 23.17881 
1 1 1   15    2    9 o  306.755   17.965  230.134   25.739  239.163   36.396  221.101   36.406  313.056   24.876  300.454   25.927 12.60251 35.93095 
1 1 1   15    2   10 o  419.743   20.811  431.964   40.212  404.252   51.919  473.515   63.573  404.805   27.443  434.682   31.294 -29.87711 41.62254 
1 1 1   15    2   11 f  391.396   20.676  380.471   37.060  377.276   47.870  385.250   58.548  391.747   26.146  391.046   32.037 0.7012939 41.35184 
1 1 1   15    2   12 o  249.548   14.753  150.464   17.203  148.223   24.435  152.668   24.223  247.605   21.116  251.490   20.609 -3.885086 29.50657 
1 1 1   15    2   13 o  312.295   17.879  239.345   26.068  252.674   37.026  226.244   36.708  321.283   24.659  303.308   25.896 17.97482 35.75879 
1 1 1   15    2   14 o  457.289   31.710  548.689   64.391  624.372  111.815  511.138   78.761  471.389   50.755  443.189   38.026 28.20026 63.41937 
1 1 1   15    2   15 o  305.687   21.752  240.862   26.042  221.789   52.565  247.066   29.980  291.286   38.613  320.088   20.041 -28.80154 43.50400 
1 1 1   15    2   16 o   67.014   12.124   12.694   3.9914   3.0062   7.9676   15.940   4.6119   51.919   21.059   82.109   12.018 -30.19027 24.24717 
1 1 1   15    2   17 o  115.752   10.765   31.405   5.4405   33.389   9.7139   30.498   6.5671  117.995   17.615  113.509   12.379 4.485825 21.53017 
1 1 1   15    2   18 f  160.848   10.087   60.263   7.3393   66.558   12.244   56.734   9.1691  166.970   15.691  154.726   12.680 12.24419 20.17369 
1 1 1   15    2   19 o  137.303   9.1688   42.185   5.6278   53.610   9.8590   36.663   6.8542  150.128   14.052  124.477   11.782 25.65110 18.33760 
1 1 1   15    2   20 o  109.724   10.700   28.340   5.1233   29.856   9.1360   27.645   6.1878  111.439   17.542  108.010   12.258 3.429413 21.40043 
1 1 1   15    2   21 o  113.366   9.5376   29.700   4.9413   34.695   8.0739   26.709   6.2480  120.643   14.320  106.089   12.602 14.55395 19.07514 
1 1 1   15    2   22 o  278.487   14.880  189.179   18.975  192.005   30.032  187.301   24.481  278.989   23.033  277.985   18.843 1.004181 29.75903 
1 1 1   15    2   23 o  179.127   11.351   78.492   9.1649   71.449   14.665   83.004   11.740  171.671   18.279  186.583   13.463 -14.91164 22.70190 
1 1 1   15    2   24 o  106.094   9.8962   26.134   4.7638   30.168   7.9398   23.865   5.9546  112.093   15.156  100.094   12.729 11.99897 19.79243 
1 1 1   15    2   25 o   79.257   11.343   14.968   3.9136   18.262   6.6792   13.246   4.8295   85.412   17.325   73.102   14.646 12.30999 22.68634 
1 1 1   15    2   26 o  179.548   10.084   77.169   8.4565   73.591   11.892   80.830   12.028  175.259   14.519  183.837   13.999 -8.577759 20.16888 
1 1 1   15    2   27 o  232.877   11.849  131.565   12.760  109.716   17.970  153.782   18.120  212.665   18.080  253.090   15.320 -40.42563 23.69800 
1 1 1   15    2   28 o  121.588   9.4014   35.567   5.2740   33.334   7.9702   37.307   7.0343  117.929   14.461  125.247   12.017 -7.318207 18.80284 
1 1 1   15    2   29 o  253.437   15.684  160.181   18.544  170.520   26.226  149.844   26.223  262.164   21.405  244.710   22.929 17.45409 31.36793 
1 1 1   15    2   30 o  111.093   12.505   32.169   5.4677   34.099   6.4445   27.211   10.330  119.636   11.526  102.550   22.197 17.08586 25.01099 
1 1 1   15    2   31 o  218.027   18.672  127.380   17.375  136.822   21.337  108.794   29.936  235.312   19.402  200.742   31.909 34.57095 37.34473 
1 1 1   15    2   32 o  209.483   11.501  105.104   11.126  116.086   17.406   97.517   14.467  218.205   17.068  200.762   15.419 17.44272 23.00172 
1 1 1   15    2   33 o  176.054   10.982   77.805   8.6553   61.580   13.349   89.572   11.369  158.572   18.013  193.536   12.569 -34.96304 21.96485 
1 1 1   15    2   34 o  139.442   11.808   47.266   7.6901   45.933   10.648   48.719   11.118  137.429   16.579  141.455   16.818 -4.025818 23.61552 
1 1 1   15    2   35 o  165.408   12.359   66.869   9.5360   69.922   13.325   63.662   13.653  169.546   16.816  161.270   18.115 8.275894 24.71719 
1 1 1   15    2   36 o   84.943   13.715   18.496   5.3378   20.821   7.5891   16.220   7.5092   90.538   18.559   79.348   20.198 11.19009 27.42975 
1 1 1   15    2   37 o   59.791   13.708   8.4049   4.5973   4.4510   6.4654   12.449   6.5384   50.036   19.384   69.545   19.389 -19.50888 27.41660 
1 1 1   15    2   38 o   69.781   14.235   12.451   4.9478   10.216   6.9543   14.741   7.0411   64.025   20.525   75.536   19.730 -11.51080 28.47019 
1 1 1   15    2   39 o   99.598   12.386   26.557   5.2531   31.376   6.6966   18.848   8.4698  114.308   12.535   84.888   21.365 29.41965 24.77125 
1 1 1   15    2   40 o  160.716   10.910   62.929   8.0149   61.926   10.289   64.476   12.781  159.826   13.775  161.605   16.923 -1.778656 21.82079 
1 1 1   15    2   41 f   96.097   13.551   23.929   5.8708   22.699   8.3500   25.131   8.2558   93.320   19.761   98.875   18.547 -5.554901 27.10167 
1 1 1   15    2   42 o   65.277   13.103   9.8076   4.7433   18.651   7.0431   2.4674   6.4166   84.853   18.298   45.701   18.760 39.15234 26.20607 
1 1 1   15    2   43 o   63.122   13.627   9.9306   4.3031   8.5338   5.4744   12.189   6.9611   58.057   18.163   68.187   20.319 -10.12949 27.25366 
1 1 1   15    2   44 o   77.375   13.777   15.686   5.1501   10.147   7.0913   21.868   7.4919   62.975   20.765   91.776   18.110 -28.80117 27.55324 
1 1 1   15    2   45 o   53.695   14.240   6.0437   4.8686   8.0850   7.1121   4.2437   6.6787   58.066   20.735   49.324   19.524 8.741390 28.48047 
1 1 1   15    2   46 o   48.570   21.451  -0.4664   9.5533  -0.4664   9.5533   0.0000   0.0000   48.570   21.451  ?   ?       ?      ? 
1 1 1   15    2   47 o  119.604   29.978   43.980   16.724   43.980   16.724   0.0000   0.0000  119.604   29.978  ?   ?       ?      ? 
1 1 1   15    2   48 o   49.865   14.443   3.5632   5.6757  -9.4535   11.687   7.5805   6.4927   44.348   21.026   55.383   19.808 -11.03489 28.88684 
1 1 1   15    2   49 o  129.597   13.946   40.298   7.6017   35.440   8.8012   54.568   15.084  118.239   15.927  140.954   22.897 -22.71593 27.89199 
1 1 1   15    2   50 o   59.362   13.856   9.7004   4.7658   12.667   5.8599   3.9048   8.1905   68.251   18.082   50.473   21.001 17.77792 27.71276 
1 1 1   15    2   51 o   59.497   14.754   9.7951   5.0107   10.163   6.3255   9.1749   8.2100   60.313   19.599   58.681   22.058 1.631573 29.50740 
1 1 1   15    2   52 o   83.988   16.660   21.766   6.2453   22.365   7.0146   19.474   13.716   91.056   17.112   76.920   28.590 14.13588 33.31998 
1 1 1   15    2   53 o   86.451   16.001   22.090   6.7472   14.821   8.9718   31.554   10.237   69.491   23.369  103.410   21.865 -33.91875 32.00301 
1 1 1   15    2   54 o   64.355   15.624   12.157   5.2843   10.756   6.2565   15.643   9.8703   60.249   19.484   68.460   24.429 -8.210945 31.24793 
1 1 1   15    2   55 o   71.727   16.109   15.703   5.9239   11.639   7.3501   23.237   10.007   61.024   21.137   82.430   24.314 -21.40622 32.21702 
1 1 1   15    2   56 o   45.655   13.018   3.7477   4.5501   8.8514   6.6308  -0.7944   6.2553   54.404   19.939   36.905   16.742 17.49943 26.03608 
1 1 1   15    2   57 o   47.004   13.744   0.7721   5.0359   13.521   8.8802  -5.2714   6.1142   62.644   23.057   31.364   14.965 31.28011 27.48801 
1 1 1   15    2   58 o   45.286   13.937   3.2463   5.9871  -4.9781   9.7163   8.2803   7.6017   38.994   18.677   51.577   20.692 -12.58235 27.87450 
1 1 1   15    3    0 o  288.854   11.770  198.594   22.300  198.594   22.300  198.594   22.300  288.854   16.645  288.854   16.645 -0.000000 0.000000 
1 1 1   15    3    1 o  187.060   8.4753   82.519   7.4067   85.319   10.508   79.753   10.442  190.238   11.819  183.882   12.151 6.356766 16.95057 
1 1 1   15    3    2 o  152.575   8.0775   54.438   5.6998   57.630   8.8148   52.145   7.4720  156.316   12.066  148.834   10.742 7.482407 16.15505 
1 1 1   15    3    3 o  247.257   10.196  144.797   11.779  148.475   16.662  141.123   16.655  250.437   14.236  244.076   14.601 6.360901 20.39229 
1 1 1   15    3    4 o  409.486   18.242  408.863   34.909  404.203   49.346  413.532   49.392  407.057   25.939  411.915   25.657 -4.858215 36.48436 
1 1 1   15    3    5 o  236.257   11.368  132.758   12.528  122.923   17.634  142.781   17.802  227.284   16.601  245.230   15.533 -17.94647 22.73511 
1 1 1   15    3    6 o  286.679   15.272  198.601   20.022  195.727   31.594  200.531   25.883  283.995   23.804  289.362   19.140 -5.367249 30.54428 
1 1 1   15    3    7 o  319.026   18.361  249.035   27.376  249.206   38.693  248.863   38.738  319.150   25.942  318.902   25.992 0.2478027 36.72264 
1 1 1   15    3    8 o  371.411   17.210  336.096   29.872  334.539   42.275  337.649   42.216  370.504   24.415  372.318   24.261 -1.813843 34.41933 
1 1 1   15    3    9 o  146.449   8.6649   50.754   5.9207   48.589   8.4926   52.802   8.2586  143.350   12.677  149.549   11.816 -6.199707 17.32975 
1 1 1   15    3   10 o  245.516   10.384  143.329   11.894  152.644   16.803  133.977   16.837  253.655   14.175  237.378   15.177 16.27708 20.76706 
1 1 1   15    3   11 o  369.155   15.689  333.032   26.648  346.826   35.239  314.608   40.727  379.494   19.869  358.816   24.286 20.67773 31.37856 
1 1 1   15    3   12 o  267.257   13.270  172.170   16.460  195.253   23.308  149.207   23.248  285.680   17.458  248.833   19.991 36.84691 26.54065 
1 1 1   15    3   13 o  157.820   9.7479   58.557   7.0650   56.427   9.1065   61.778   11.197  154.434   12.617  161.206   14.862 -6.771698 19.49573 
1 1 1   15    3   14 o  190.943   15.218   85.892   13.077   97.366   22.178   79.776   16.192  199.707   23.762  182.178   19.017 17.52930 30.43527 
1 1 1   15    3   15 o  424.065   25.688  466.405   50.541  524.913   71.482  407.914   71.471  453.579   33.721  394.551   38.760 59.02802 51.37553 
1 1 1   15    3   16 o  392.095   20.720  382.439   37.287  398.848   58.934  371.486   48.150  396.746   31.784  387.444   26.592 9.302155 41.44089 
1 1 1   15    3   17 o  243.328   11.176  141.419   12.703  137.137   18.039  145.632   17.891  239.571   16.112  247.085   15.494 -7.513748 22.35269 
1 1 1   15    3   18 o   96.769   9.4485   22.769   4.0682   17.222   5.7134   28.473   5.7940   83.777   15.150  109.761   11.295 -25.98358 18.89709 
1 1 1   15    3   19 o  361.387   16.270  320.326   27.438  300.907   38.801  339.749   38.805  349.889   23.729  372.885   22.267 -22.99637 32.54031 
1 1 1   15    3   20 o  247.896   11.582  147.295   13.418  146.535   19.071  148.040   18.881  247.215   16.507  248.578   16.252 -1.362610 23.16479 
1 1 1   15    3   21 o  135.256   8.9588   43.502   5.6547   41.403   8.0692   45.528   7.9266  131.974   13.083  138.538   12.243 -6.564743 17.91766 
1 1 1   15    3   22 o  225.466   11.177  121.988   11.773  126.459   16.727  117.599   16.572  229.642   15.586  221.291   16.024 8.351181 22.35377 
1 1 1   15    3   23 o  322.866   15.433  257.068   23.272  266.873   32.893  247.240   32.930  329.381   21.368  316.350   22.273 13.03058 30.86563 
1 1 1   15    3   24 o  164.410   8.8492   64.386   6.7978   64.888   9.5343   63.867   9.6948  165.100   12.357  163.719   12.671 1.381592 17.69830 
1 1 1   15    3   25 o  226.928   11.071  124.029   11.736  127.752   16.558  120.271   16.637  230.471   15.373  223.384   15.936 7.087143 22.14250 
1 1 1   15    3   26 o  243.023   14.836  149.736   16.099  125.579   25.504  165.737   20.758  224.125   24.349  261.920   16.958 -37.79504 29.67193 
1 1 1   15    3   27 o  198.784   13.999   88.958   11.462  113.593   23.419   81.197   13.144  213.675   23.452  183.894   15.294 29.78069 27.99812 
1 1 1   15    3   28 o  179.929   18.205   87.488   13.195   70.402   23.332   95.521   15.999  161.383   32.065  198.474   17.248 -37.09096 36.40945 
1 1 1   15    3   29 o  104.894   11.531   26.560   5.4285   34.293   8.2095   20.552   7.2363  119.364   14.716   90.423   17.757 28.94083 23.06264 
1 1 1   15    3   30 o   72.439   14.676   12.642   5.4044   7.6871   7.1651   19.181   8.2315   58.606   20.825   86.272   20.684 -27.66581 29.35107 
1 1 1   15    3   31 o   63.850   11.775   10.820   3.5930   12.933   4.4974   7.0922   5.9739   72.234   13.826   55.466   19.064 16.76822 23.55002 
1 1 1   15    3   32 f  217.861   13.163  116.557   13.396  111.943   18.771  121.345   19.124  213.348   18.826  222.374   18.401 -9.026169 26.32525 
1 1 1   15    3   33 o   60.069   13.733   5.9527   4.1463   15.647   8.2975   2.7264   4.7868   77.882   21.888   42.256   16.591 35.62584 27.46533 
1 1 1   15    3   34 o   43.706   12.910   0.9606   4.4893  -1.4612   6.3761   3.3413   6.3219   39.672   17.523   47.739   18.964 -8.067646 25.82033 
1 1 1   15    3   35 o   61.592   14.617   9.0414   4.9653   8.7993   7.0679   9.2772   6.9771   61.074   20.741   62.109   20.603 -1.035362 29.23493 
1 1 1   15    3   36 f  137.681   11.844   46.334   7.6195   45.619   10.828   47.036   10.724  136.549   16.968  138.812   16.530 -2.263611 23.68878 
1 1 1   15    3   37 o  138.074   10.616   45.790   6.6386   44.061   8.3483   48.764   10.948  135.186   13.214  140.961   16.619 -5.775208 21.23192 
1 1 1   15    3   38 o   66.008   13.151   10.505   5.0805   19.013   6.8571   0.1513   7.5646   86.574   17.549   45.442   19.592 41.13265 26.30168 
1 1 1   15    3   39 o   93.242   11.849   20.632   4.8158   18.400   5.8739   25.209   8.4111   87.114   14.428   99.371   18.800 -12.25766 23.69810 
1 1 1   15    3   40 o   75.610   12.776   14.482   4.3574   13.535   5.5318   16.030   7.0729   72.779   16.628   78.442   19.401 -5.663208 25.55158 
1 1 1   15    3   41 o  115.154   11.172   33.272   5.7765   35.386   7.3879   29.947   9.2661  120.871   13.078  109.436   18.117 11.43451 22.34452 
1 1 1   15    3   42 o  107.164   10.797   27.032   5.2806   22.751   6.6520   34.327   8.6835   96.350   14.773  117.977   15.749 -21.62669 21.59308 
1 1 1   15    3   43 o   77.963   14.596   16.189   5.4256   18.082   7.6808   14.304   7.6651   82.609   20.089   73.317   21.181 9.292015 29.19240 
1 1 1   15    3   44 o  125.015   11.869   39.163   6.8736   33.079   9.5935   45.580   9.8532  114.433   17.938  135.596   15.549 -21.16212 23.73894 
1 1 1   15    3   45 o   78.440   17.121   16.669   7.0426   12.197   9.6502   21.764   10.301   68.625   24.191   88.256   24.234 -19.63113 34.24170 
1 1 1   15    3   46 o   42.258   18.244   0.4351   6.5783   0.4351   6.5783   0.0000   0.0000   42.258   18.244  ?   ?       ?      ? 
1 1 1   15    3   47 o   71.779   15.689   14.807   6.4755   20.560   8.1209   4.7623   10.731   86.762   20.375   56.795   23.863 29.96732 31.37850 
1 1 1   15    3   48 o  111.069   16.609   34.359   8.0143   35.576   14.079   33.775   9.7477  108.198   27.719  113.940   18.306 -5.741524 33.21788 
1 1 1   15    3   49 o   52.321   15.705   2.9557   5.8768   1.8250   6.7776   6.3814   11.797   44.542   18.853   60.099   25.121 -15.55732 31.40908 
1 1 1   15    3   50 o   53.257   15.935   3.8496   5.9594   2.7678   6.8235   7.3280   12.236   45.766   19.116   60.748   25.501 -14.98239 31.87030 
1 1 1   15    3   51 o   97.756   16.664   31.711   7.0852   34.407   8.0523   22.469   14.911  115.453   14.924   80.060   29.799 35.39294 33.32732 
1 1 1   15    3   52 f  101.292   17.648   34.119   8.2810   37.873   9.7314   24.264   15.766  119.517   17.422   83.067   30.696 36.45045 35.29571 
1 1 1   15    3   53 o   54.281   14.759   6.9332   6.1776   12.463   7.1613  -9.1506   12.213   64.912   20.830   43.651   20.915 21.26093 29.51878 
1 1 1   15    3   54 o   44.382   13.585   2.4147   5.1413   1.8761   6.8247   3.1214   7.8181   42.561   18.478   46.203   19.918 -3.642017 27.16983 
1 1 1   15    3   55 o   75.004   17.177   14.367   6.9420   5.6851   8.1860   36.598   13.099   49.912   20.900  100.095   27.264 -50.18328 34.35305 
1 1 1   15    3   56 o   63.072   15.825   13.206   5.8404   12.780   8.0049   13.689   8.5402   62.349   22.026   63.796   22.728 -1.447960 31.65018 
1 1 1   15    3   57 o   40.439   12.107   1.4591   4.4414   6.1523   5.6103  -6.4201   7.2694   47.485   18.144   33.392   16.036 14.09314 24.21484 
1 1 1   15    3   58 o   42.076   12.886   1.6888   4.9910   7.4012   7.0588  -4.0221   7.0580   49.745   19.946   34.408   16.321 15.33671 25.77243 
1 1 1   15    4    0 o  246.423   9.8007  144.138   15.847  144.138   15.847  144.138   15.847  246.423   13.860  246.423   13.860 -0.000000 0.000000 
1 1 1   15    4    1 o  415.030   17.480  416.898   33.622  403.342   44.472  434.983   51.365  408.095   23.318  421.966   26.046 -13.87161 34.95903 
1 1 1   15    4    2 o  480.324   21.023  571.437   47.156  547.107   66.667  595.797   66.710  469.488   30.384  491.160   29.062 -21.67203 42.04505 
1 1 1   15    4    3 o  352.168   15.652  299.522   25.751  290.007   36.379  309.077   36.456  346.387   22.472  357.949   21.792 -11.56198 31.30361 
1 1 1   15    4    4 o  266.258   15.284  171.052   19.008  164.683   26.862  177.439   26.902  261.139   22.010  271.377   21.211 -10.23834 30.56753 
1 1 1   15    4    5 o  582.940   32.187  924.323   84.354  830.772  133.367  986.704  108.906  546.141   52.252  619.739   37.601 -73.59796 64.37435 
1 1 1   15    4    6 o  206.917   10.303  101.571   9.9611  104.486   14.146   98.703   14.029  209.893   14.421  203.940   14.719 5.953110 20.60605 
1 1 1   15    4    7 o  109.412   8.1853   28.540   4.1407   24.692   6.0003   32.039   5.7213  102.203   12.562  116.621   10.497 -14.41823 16.37060 
1 1 1   15    4    8 o  323.189   12.716  250.342   19.163  231.168   27.087  269.555   27.115  310.485   18.667  335.893   17.273 -25.40720 25.43256 
1 1 1   15    4    9 o  273.742   11.875  180.385   14.952  169.406   22.862  188.591   19.765  265.820   18.402  281.663   15.015 -15.84323 23.75084 
1 1 1   15    4   10 o  152.289   7.5973   54.681   5.4070   54.794   7.6216   54.567   7.6720  152.454   10.697  152.125   10.791 0.3293304 15.19453 
1 1 1   15    4   11 o  205.890   9.7029  100.479   9.2211  100.288   12.125  100.742   14.200  205.891   12.601  205.889   14.758 0.2670288E-02 19.40570 
1 1 1   15    4   12 o  262.744   12.674  165.488   15.550  172.509   21.936  158.398   22.045  268.506   17.480  256.981   18.356 11.52469 25.34768 
1 1 1   15    4   13 o  398.745   17.365  389.449   32.334  372.229   45.707  406.701   45.749  389.505   25.109  407.985   23.993 -18.48077 34.72945 
1 1 1   15    4   14 o  179.539   11.520   78.277   9.3681   83.283   12.105   70.803   14.792  187.348   13.826  171.731   18.431 15.61629 23.03974 
1 1 1   15    4   15 o  199.822   12.839   96.074   11.955  103.650   16.828   88.356   16.986  208.035   17.308  191.608   18.968 16.42732 25.67817 
1 1 1   15    4   16 o  224.542   11.870  120.273   12.229  122.816   19.293  118.565   15.810  226.031   18.264  223.054   15.167 2.976608 23.74026 
1 1 1   15    4   17 o  295.713   15.445  213.018   20.908  212.858   32.994  213.125   27.027  294.385   23.982  297.042   19.469 -2.656891 30.88947 
1 1 1   15    4   18 o  106.482   8.2673   26.820   4.1127   25.830   5.7735   27.840   5.8599  104.472   11.825  108.492   11.557 -4.020096 16.53466 
1 1 1   15    4   19 o  132.820   8.9168   41.883   5.5161   46.286   7.8636   37.618   7.7397  139.786   12.037  125.854   13.159 13.93242 17.83365 
1 1 1   15    4   20 o  272.782   12.971  180.215   16.435  157.438   23.173  203.265   23.312  254.835   19.457  290.729   17.157 -35.89377 25.94139 
1 1 1   15    4   21 o  196.631   10.189   92.325   9.3630   91.970   13.177   92.687   13.307  196.262   14.366  197.000   14.453 -0.7377167 20.37806 
1 1 1   15    4   22 o  136.585   7.9292   44.160   5.0556   41.272   7.0331   47.249   7.2722  131.936   11.406  141.235   11.017 -9.299438 15.85832 
1 1 1   15    4   23 o  206.460   11.929  102.119   11.293  107.521   17.966   98.591   14.520  210.346   18.276  202.575   15.337 7.770218 23.85831 
1 1 1   15    4   24 o  125.480   8.2082   37.551   4.7764   32.079   6.7210   43.134   6.7892  116.065   12.391  134.895   10.769 -18.83041 16.41649 
1 1 1   15    4   25 f  224.916   10.365  121.511   10.862  131.968   15.345  111.010   15.377  234.891   13.978  214.941   15.307 19.94966 20.72932 
1 1 1   15    4   26 o  216.580   12.365  114.733   12.193  107.497   19.179  119.642   15.797  209.850   19.555  223.309   15.136 -13.45845 24.72903 
1 1 1   15    4   27 o  151.421   10.966   55.128   7.7375   49.719   10.797   60.838   11.094  143.624   16.086  159.218   14.909 -15.59351 21.93218 
1 1 1   15    4   28 o  139.154   10.441   46.581   6.7783   43.186   9.5309   50.055   9.6420  133.896   15.231  144.412   14.286 -10.51619 20.88251 
1 1 1   15    4   29 o   92.356   10.530   21.365   4.2198   22.781   5.3486   19.031   6.8677   97.772   11.705   86.940   17.508 10.83184 21.06051 
1 1 1   15    4   30 o  138.674   11.195   46.417   7.2331   43.753   9.7708   49.647   10.759  134.381   15.558  142.967   16.102 -8.585541 22.39033 
1 1 1   15    4   31 o  205.622   16.506  106.146   14.941  104.737   18.301  108.964   25.875  206.213   18.990  205.030   27.003 1.183121 33.01183 
1 1 1   15    4   32 o  144.743   17.678   53.991   11.720   52.137   16.271   55.991   16.897  141.062   25.625  148.423   24.359 -7.360977 35.35538 
1 1 1   15    4   33 o  119.008   14.259   33.742   7.5368   42.523   12.844   29.131   9.3078  130.667   21.033  107.348   19.260 23.31890 28.51895 
1 1 1   15    4   34 o  164.261   12.583   66.355   9.5126   80.071   13.572   53.109   13.337  181.757   15.977  146.764   19.444 34.99261 25.16664 
1 1 1   15    4   35 o  109.108   11.551   29.863   5.4474   31.412   6.8550   27.207   8.9733  114.551   12.805  103.666   19.229 10.88467 23.10265 
1 1 1   15    4   36 o   55.920   13.326   7.3686   3.9756   7.4731   4.8496   7.1543   6.9422   55.051   17.074   56.789   20.464 -1.738056 26.65146 
1 1 1   15    4   37 o   62.793   14.774   9.3492   5.2846   13.245   7.4029   5.3008   7.5464   71.604   20.853   53.982   20.934 17.62220 29.54771 
1 1 1   15    4   38 o  138.030   10.808   46.324   6.7528   46.395   8.5647   46.208   10.978  138.847   13.199  137.214   17.119 1.632416 21.61678 
1 1 1   15    4   39 o   88.118   12.934   18.572   4.9336   15.575   6.0069   24.784   8.6483   78.190   16.929   98.046   19.559 -19.85619 25.86804 
1 1 1   15    4   40 o  100.368   12.834   25.312   5.4713   24.960   6.6228   26.069   9.7098  101.329   13.985   99.407   21.524 1.921951 25.66809 
1 1 1   15    4   41 o  236.931   13.308  138.377   14.454  127.192   18.442  156.188   23.272  225.950   17.465  247.913   20.086 -21.96356 26.61672 
1 1 1   15    4   42 f  140.696   10.900   44.484   6.8240   31.123   8.4107   70.222   11.673  112.176   16.043  169.217   14.761 -57.04099 21.80066 
1 1 1   15    4   43 o  191.210   13.483   93.085   11.974   81.362   16.809  105.165   17.062  178.016   20.204  204.404   17.861 -26.38802 26.96661 
1 1 1   15    4   44 o   51.033   12.613   3.7304   4.6438   11.770   6.2411  -6.2412   6.9506   66.885   19.048   35.181   16.538 31.70449 25.22516 
1 1 1   15    4   45 o  101.926   15.813   30.883   7.2221   36.826   8.8752   19.234   12.426  121.626   15.614   82.227   27.503 39.39886 31.62575 
1 1 1   15    4   46 o   55.279   21.648   6.1523   8.1316   6.1523   8.1316   0.0000   0.0000   55.279   21.648  ?   ?       ?      ? 
1 1 1   15    4   47 o   38.700   17.249  -1.2199   6.3189  -1.2199   6.3189   0.0000   0.0000   38.700   17.249  ?   ?       ?      ? 
1 1 1   15    4   48 o   51.545   14.414   1.2953   5.6981  -6.2363   7.4214   12.112   8.8937   36.234   17.050   66.856   23.245 -30.62181 28.82804 
1 1 1   15    4   49 o   53.002   15.623   4.3470   5.3027   4.1070   5.8749   5.4023   12.318   46.638   18.359   59.366   25.284 -12.72875 31.24587 
1 1 1   15    4   50 o   62.622   17.471   6.2646   8.3868  -4.9885   11.331   19.900   12.473   46.217   21.525   79.027   27.525 -32.81039 34.94200 
1 1 1   15    4   51 o   72.381   17.986   16.656   7.4736   13.189   14.125   18.003   8.8076   67.611   27.803   77.150   22.825 -9.539131 35.97185 
1 1 1   15    4   52 o   68.468   17.716   14.162   7.3876   9.8000   13.774   15.923   8.7530   63.957   26.963   72.980   22.988 -9.023014 35.43262 
1 1 1   15    4   53 o   47.614   15.198   1.2488   6.1941   2.0861   12.997   1.0027   7.0457   53.042   24.090   42.186   18.535 10.85619 30.39568 
1 1 1   15    4   54 o   74.594   15.394   17.510   6.3885   8.1509   8.9741   27.127   9.0967   55.030   22.340   94.158   21.184 -39.12836 30.78706 
1 1 1   15    4   55 o   69.766   15.266   15.853   5.4785   16.319   7.1398   15.186   8.5432   72.257   20.302   67.275   22.803 4.982063 30.53133 
1 1 1   15    4   56 o   65.318   16.210   14.556   6.1638   13.209   9.1641   15.669   8.3293   62.414   23.336   68.221   22.506 -5.807159 32.41998 
1 1 1   15    4   57 o   34.352   11.661  -7.5294   5.5260  -1.7361   7.8104 -13.3362   7.8195   38.762   17.992   29.942   14.839 8.820719 23.32151 
1 1 1   15    5    0 o  240.287   11.973  138.276   18.798  138.276   18.798  138.276   18.798  240.287   16.932  240.287   16.932 -0.000000 0.000000 
1 1 1   15    5    1 o  126.734   12.452   39.264   6.0178   39.623   6.8909   38.110   12.352  129.615   11.376  123.852   22.153 5.763115 24.90302 
1 1 1   15    5    2 o  143.192   11.701   45.449   7.4700   38.243   9.0534   60.816   13.222  126.864   15.270  159.520   17.735 -32.65579 23.40258 
1 1 1   15    5    3 o  220.372   14.107  111.829   12.790  106.626   14.761  127.503   25.620  211.900   14.905  228.844   23.955 -16.94370 28.21355 
1 1 1   15    5    4 o  384.447   17.215  360.923   30.863  334.761   43.659  387.058   43.635  369.889   25.255  399.005   23.400 -29.11600 34.42962 
1 1 1   15    5    5 o  223.869   11.275  116.666   11.198  111.172   13.677  127.836   19.502  216.644   13.509  231.094   18.057 -14.44969 22.55095 
1 1 1   15    5    6 o  140.612   7.9602   46.665   5.1788   46.513   7.8927   46.779   6.8626  140.316   12.036  140.909   10.421 -0.5932617 15.92037 
1 1 1   15    5    7 o  189.240   9.3420   84.916   8.1690   84.056   12.489   85.559   10.800  188.208   14.198  190.273   12.145 -2.065247 18.68406 
1 1 1   15    5    8 o  182.460   7.9210   78.636   6.7454   82.945   9.5119   74.278   9.5672  187.546   10.852  177.373   11.541 10.17390 15.84208 
1 1 1   15    5    9 o  267.386   10.680  170.066   13.344  173.450   18.860  166.674   18.882  270.100   14.941  264.672   15.265 5.427948 21.36014 
1 1 1   15    5   10 o  138.962   7.1065   45.556   4.6073   47.956   6.4593   43.070   6.5736  142.733   9.6831  135.191   10.404 7.542236 14.21307 
1 1 1   15    5   11 o  131.295   7.6161   39.935   4.6206   36.127   6.0089   45.443   7.2275  123.815   10.384  138.776   11.144 -14.96133 15.23215 
1 1 1   15    5   12 o  101.660   9.5121   24.108   4.4506   26.686   7.0577   22.407   5.7345  106.012   14.245   97.309   12.609 8.703171 19.02425 
1 1 1   15    5   13 o  115.146   9.5977   31.407   5.0631   31.647   8.0016   31.247   6.5384  115.346   14.843  114.946   12.171 0.3996887 19.19549 
1 1 1   15    5   14 f  203.308   12.955  102.235   11.800  112.260   15.198   87.023   18.722  217.152   14.976  189.465   21.144 27.68776 25.91051 
1 1 1   15    5   15 o  236.570   14.565  135.672   16.087  142.279   22.724  129.035   22.777  242.569   20.045  230.570   21.137 11.99905 29.13024 
1 1 1   15    5   16 o  194.210   12.172   90.661   10.993  101.493   15.621   80.035   15.472  206.006   16.225  182.414   18.149 23.59222 24.34430 
1 1 1   15    5   17 o   70.615   14.429   8.1587   5.0716   23.088   9.7721   2.6550   5.9332   95.459   22.306   45.771   18.310 49.68752 28.85837 
1 1 1   15    5   18 o  140.554   7.9801   46.672   5.2343   43.263   7.2878   50.304   7.5226  135.222   11.532  145.886   11.033 -10.66408 15.96016 
1 1 1   15    5   19 o  217.514   10.601  113.131   10.761  119.560   15.171  106.621   15.266  223.893   14.499  211.135   15.471 12.75760 21.20295 
1 1 1   15    5   20 o   88.659   8.4511   18.478   3.4707   15.321   4.6947   22.284   5.1541   80.319   12.507   97.000   11.369 -16.68150 16.90223 
1 1 1   15    5   21 f  113.204   8.0688   30.304   4.2619   28.036   5.8792   32.815   6.1872  108.729   11.570  117.679   11.250 -8.949944 16.13765 
1 1 1   15    5   22 o  136.872   7.9924   44.525   5.1017   46.548   7.1043   42.372   7.3309  140.168   10.845  133.576   11.743 6.591782 15.98489 
1 1 1   15    5   23 o  214.709   12.680  111.889   12.426  112.607   19.817  111.424   15.952  214.385   19.779  215.033   15.873 -0.6480408 25.36089 
1 1 1   15    5   24 o  116.962   8.4700   32.523   4.6239   30.354   6.4758   34.780   6.6045  112.934   12.270  120.991   11.680 -8.056610 16.94005 
1 1 1   15    5   25 o  145.284   10.554   50.543   7.1000   50.122   9.4094   51.100   10.819  144.827   13.902  145.741   15.885 -0.9147797 21.10891 
1 1 1   15    5   26 o  117.742   17.378   35.838   9.3835   29.939   13.786   40.930   12.808  106.546   27.500  128.938   21.255 -22.39198 34.75661 
1 1 1   15    5   27 o   60.261   13.043   8.3184   3.1551   8.2811   3.3957   8.5537   8.5349   57.820   12.894   62.701   22.676 -4.880985 26.08557 
1 1 1   15    5   28 f   64.572   11.846   12.877   3.4385   15.005   3.7063  -0.2719   9.2133   79.582   9.9650   49.561   21.494 30.02090 23.69147 
1 1 1   15    5   29 o   59.377   12.218   7.1100   3.2310   5.2097   3.6998   13.215   6.6317   46.804   14.968   71.950   19.316 -25.14596 24.43634 
1 1 1   15    5   30 o   45.598   13.335   1.6074   4.7333   3.9668   6.3990  -1.2431   7.0336   49.151   19.216   42.045   18.495 7.106335 26.67074 
1 1 1   15    5   31 o   86.501   13.250   19.705   5.3372   12.080   7.9815   25.873   7.1782   69.450   21.960  103.552   14.833 -34.10245 26.49990 
1 1 1   15    5   32 o   72.159   19.073   13.279   6.5294   0.0000   0.0000   13.279   6.5294  ?   ?    72.159   19.073      ?      ? 
1 1 1   15    5   33 o  102.064   9.9803   25.047   4.7538   25.288   6.9230   24.832   6.5392  102.456   14.458  101.672   13.762 0.7841873 19.96068 
1 1 1   15    5   34 o   75.739   12.399   15.281   4.4895   8.4589   7.0283   19.983   5.8351   60.234   20.680   91.244   13.684 -31.00981 24.79717 
1 1 1   15    5   35 o   58.202   14.704   7.3068   5.0906   5.2865   6.8969   9.7247   7.5451   52.875   20.138   63.530   21.430 -10.65474 29.40728 
1 1 1   15    5   36 o   88.370   15.964   14.275   5.0724   11.244   5.4625   33.251   13.667   66.354   17.401  110.385   26.769 -44.03114 31.92728 
1 1 1   15    5   37 o  165.194   13.233   71.386   9.4384   81.027   11.902   55.051   15.493  183.190   13.902  147.198   22.521 35.99179 26.46591 
1 1 1   15    5   38 o   60.326   14.067   7.5927   4.2906   5.4795   5.0692   12.930   8.0564   49.655   17.530   70.996   22.005 -21.34106 28.13348 
1 1 1   15    5   39 o   58.797   13.874   6.5699   4.3045   3.5433   5.1206   13.861   7.9475   44.768   17.276   72.827   21.713 -28.05910 27.74772 
1 1 1   15    5   40 o   77.414   13.935   14.147   4.7595   11.358   5.6763   20.751   8.7347   66.351   17.895   88.477   21.365 -22.12582 27.86937 
1 1 1   15    5   41 o   74.213   14.223   15.141   4.9731   16.893   5.9795   11.210   8.9569   81.427   16.282   67.000   23.326 14.42710 28.44630 
1 1 1   15    5   42 o  149.627   12.647   56.205   8.8435   55.842   12.426   56.578   12.588  149.173   17.824  150.081   17.947 -0.9088135 25.29447 
1 1 1   15    5   43 o  169.204   22.755   85.070   17.334   81.969   24.412   88.224   24.618  165.383   32.743  173.025   31.609 -7.641037 45.51082 
1 1 1   15    5   44 o  164.607   22.308   80.979   16.670   92.233   23.164   68.888   24.010  181.837   27.257  147.378   35.320 34.45926 44.61508 
1 1 1   15    5   45 o  130.118   17.836   44.685   9.7148   41.395   11.483   52.968   18.221  126.766   19.383  133.470   29.947 -6.704041 35.67260 
1 1 1   15    5   46 o   46.196   18.062   3.9495   5.6535   3.9495   5.6535   0.0000   0.0000   46.196   18.062  ?   ?       ?      ? 
1 1 1   15    5   48 o   35.017   15.825  -2.0289   5.5260   0.0000   0.0000  -2.0289   5.5260  ?   ?    35.017   15.825      ?      ? 
1 1 1   15    5   49 o   52.539   14.711   4.7684   6.0234  -8.4441   11.308   10.002   7.1171   43.966   20.797   61.112   20.813 -17.14571 29.42276 
1 1 1   15    5   50 f   42.014   14.189 -10.9927   5.9694   4.5450   12.731 -15.3717   6.7585   57.050   24.994   26.978   13.440 30.07213 28.37845 
1 1 1   15    5   51 o   62.968   15.883   11.294   5.9353   9.6915   8.9914   12.532   7.9015   60.215   22.979   65.722   21.932 -5.507008 31.76512 
1 1 1   15    5   52 o   52.146   14.930   5.5663   5.6363   7.5766   8.4706   3.9691   7.5505   55.822   22.022   48.470   20.165 7.351730 29.85964 
1 1 1   15    5   53 o   37.819   12.028  -0.7273   4.4636  -1.8001   6.5676   0.1936   6.0850   37.113   16.959   38.525   17.062 -1.412331 24.05701 
1 1 1   15    5   54 o   40.236   12.956  -1.5434   5.3103   2.1946   8.1950  -4.2489   6.9721   45.274   19.938   35.198   16.551 10.07605 25.91292 
1 1 1   15    5   55 o   46.463   13.820   4.3840   5.0517   3.7604   6.6770   5.2188   7.7255   44.580   18.782   48.345   20.277 -3.765446 27.63948 
1 1 1   15    5   56 o   90.730   15.702   27.426   6.8421   35.173   9.6246   19.511   9.7285  107.633   19.865   73.827   24.321 33.80634 31.40304 
1 1 1   15    5   57 o   46.322   15.083   2.1780   6.8371   3.9633   13.170   1.5193   7.9995   50.290   23.350   42.354   19.100 7.935703 30.16635 
1 1 1   15    6    0 o  117.187   10.521   33.859   7.7910   33.859   7.7910   33.859   7.7910  117.187   14.879  117.187   14.879 -0.000000 0.000000 
1 1 1   15    6    1 o  125.019   11.709   35.848   6.4572   33.173   7.8006   41.672   11.509  118.248   14.115  131.790   18.686 -13.54166 23.41795 
1 1 1   15    6    2 o  101.494   10.044   24.413   4.7228   28.936   6.8537   20.323   6.5171  110.535   13.267   92.454   15.083 18.08066 20.08767 
1 1 1   15    6    3 o  262.412   15.435  166.832   18.928  165.544   26.853  168.103   26.685  261.338   21.986  263.486   21.670 -2.147522 30.87054 
1 1 1   15    6    4 o  219.126   10.580  114.170   10.832  111.403   15.333  116.927   15.305  216.425   15.159  221.826   14.763 -5.401398 21.15991 
1 1 1   15    6    5 o  216.939   10.085  112.617   10.069  117.642   13.322  105.922   15.378  222.961   12.785  210.917   15.601 12.04372 20.17043 
1 1 1   15    6    6 o  130.782   7.7344   41.385   4.5865   46.070   6.0352   34.979   7.0566  139.947   9.2275  121.618   12.415 18.32869 15.46884 
1 1 1   15    6    7 o  252.310   10.934  150.574   12.790  144.302   16.905  158.971   19.559  246.434   14.678  258.187   16.210 -11.75317 21.86781 
1 1 1   15    6    8 o  169.723   8.3980   68.793   6.5444   72.664   8.6424   63.591   10.020  175.579   10.532  163.868   13.083 11.71085 16.79599 
1 1 1   15    6    9 o  107.951   7.9974   27.511   4.0340   28.056   5.6943   26.961   5.7156  109.038   11.174  106.864   11.444 2.174622 15.99484 
1 1 1   15    6   10 f  128.931   8.2179   39.294   4.9473   37.669   7.0325   40.886   6.9611  126.254   11.919  131.607   11.318 -5.353874 16.43589 
1 1 1   15    6   11 f  178.953   10.600   75.491   8.6863   72.814   11.131   79.660   13.891  175.217   13.593  182.689   16.270 -7.471863 21.20087 
1 1 1   15    6   12 o  309.488   17.918  235.757   25.909  229.288   36.629  242.234   36.653  305.019   25.695  313.957   24.980 -8.938934 35.83644 
1 1 1   15    6   13 o  114.512   10.832   31.184   5.7901   29.343   7.9831   33.227   8.4105  110.943   15.397  118.080   15.241 -7.136841 21.66427 
1 1 1   15    6   14 o  161.647   11.540   62.574   8.7020   66.429   12.258   58.657   12.356  166.805   15.724  156.488   16.895 10.31766 23.07965 
1 1 1   15    6   15 o  217.897   18.129  121.279   16.949  128.506   20.717  106.656   29.471  230.703   19.215  205.090   30.748 25.61247 36.25774 
1 1 1   15    6   16 o  209.015   19.604  109.624   19.061  120.227   26.846   98.844   27.069  220.021   26.108  198.010   29.251 22.01111 39.20797 
1 1 1   15    6   17 o  141.227   13.384   47.231   8.4101   51.373   14.517   45.139   10.318  145.145   21.402  137.308   16.078 7.837021 26.76829 
1 1 1   15    6   18 o  205.176   13.400  102.098   12.803   92.605   18.122  111.558   18.090  195.287   19.856  215.065   17.998 -19.77821 26.79913 
1 1 1   15    6   19 o  177.633   12.175   76.038   10.107   76.962   14.288   75.112   14.298  178.748   17.103  176.517   17.331 2.231262 24.34968 
1 1 1   15    6   20 o  232.053   14.510  132.046   15.669  118.611   22.159  145.483   22.160  219.664   21.584  244.442   19.398 -24.77742 29.01980 
1 1 1   15    6   21 o  167.628   14.164   65.923   10.702   79.736   18.252   58.686   13.211  179.785   21.723  155.471   18.183 24.31398 28.32846 
1 1 1   15    6   22 f  249.600   15.385  154.184   17.926  145.804   25.307  162.623   25.395  242.417   22.337  256.783   21.161 -14.36668 30.76931 
1 1 1   15    6   23 o  137.090   16.509   45.389   10.577   0.0000   0.0000   45.389   10.577  ?   ?   137.090   16.509      ?      ? 
1 1 1   15    6   24 o  263.377   20.028  173.813   23.326  188.752   40.575  166.438   28.508  268.187   32.372  258.567   23.592 9.620239 40.05654 
1 1 1   15    6   25 o  150.306   18.389   57.749   12.617   59.590   17.520   55.766   18.184  154.419   24.277  146.193   27.627 8.226501 36.77785 
1 1 1   15    6   26 o  198.070   19.217  107.270   15.440   83.260   26.578  119.500   18.969  174.647   33.784  221.494   18.325 -46.84666 38.43363 
1 1 1   15    6   27 o  251.698   15.665  158.504   18.298  137.851   25.819  179.345   25.936  234.099   23.599  269.297   20.607 -35.19865 31.33006 
1 1 1   15    6   28 o  221.708   12.748  120.660   12.914  119.044   20.409  121.739   16.677  219.346   19.909  224.070   15.926 -4.723160 25.49500 
1 1 1   15    6   29 o  248.878   13.343  151.173   15.250  160.315   24.162  145.121   19.660  254.025   20.352  243.730   17.260 10.29492 26.68540 
1 1 1   15    6   30 o  130.111   10.459   40.761   6.2205   41.261   9.8964   40.434   7.9980  130.347   16.246  129.876   13.177 0.4714355 20.91767 
1 1 1   15    6   31 o  127.442   9.4711   39.109   5.2060   39.362   6.2762   38.549   9.3205  128.756   10.430  126.128   15.812 2.627670 18.94211 
1 1 1   15    6   32 o   61.906   12.040   8.8773   3.4397   7.1654   4.1828   12.453   6.0451   53.810   15.676   70.001   18.280 -16.19169 24.08098 
1 1 1   15    6   33 o   64.871   11.403   10.010   3.4450   7.1953   4.4218   14.357   5.4952   54.081   16.212   75.660   16.039 -21.57857 22.80543 
1 1 1   15    6   34 o  170.434   12.883   76.646   9.4127   51.433   14.804   93.754   12.195  143.152   22.128  197.715   13.198 -54.56349 25.76530 
1 1 1   15    6   35 o   83.254   17.902   16.215   6.7389   13.776   7.7216   24.012   13.804   72.946   21.313   93.562   28.771 -20.61580 35.80486 
1 1 1   15    6   36 o  114.395   13.257   32.751   6.9061   28.930   9.4968   37.040   10.061  106.201   19.864  122.589   17.561 -16.38849 26.51369 
1 1 1   15    6   37 f   86.355   14.922   19.801   6.0911   24.708   8.3439   14.203   8.9124   98.485   18.814   74.226   23.167 24.25989 29.84418 
1 1 1   15    6   38 o  119.501   13.118   36.503   6.9845   39.695   9.2856   32.343   10.599  127.424   15.593  111.577   21.099 15.84663 26.23554 
1 1 1   15    6   39 o   94.573   13.158   22.816   5.5715   23.089   7.1627   22.399   8.8654   96.938   15.810   92.209   21.037 4.729507 26.31597 
1 1 1   15    6   40 o  172.559   12.547   74.020   10.083   65.967   13.832   83.152   14.729  162.273   18.239  182.846   17.237 -20.57291 25.09486 
1 1 1   15    6   41 o   71.159   17.868   12.405   6.8669   12.137   7.9772   13.169   13.493   68.352   21.990   73.967   28.168 -5.615417 35.73515 
1 1 1   15    6   42 o   88.773   17.471   17.697   6.4329   14.125   7.2116   31.611   14.232   72.956   20.371  104.590   28.390 -31.63412 34.94184 
1 1 1   15    6   43 o   75.031   20.044   14.089   9.6085   11.285   12.958   17.514   14.321   69.980   27.349   80.083   29.310 -10.10336 40.08815 
1 1 1   15    6   44 o   78.696   19.830   15.548   9.8253   5.8576   13.555   26.278   14.263   63.343   26.728   94.049   29.299 -30.70551 39.65912 
1 1 1   15    6   45 o   73.589   19.668   13.760   9.5954   19.232   13.055   7.3312   14.151   81.736   28.178   65.443   27.446 16.29332 39.33503 
1 1 1   15    6   46 o   50.312   14.901   3.0803   5.2262   2.3303   6.0434   5.3042   10.407   43.695   18.098   56.929   23.678 -13.23442 29.80277 
1 1 1   15    6   47 o   46.369   14.040   1.5440   5.4626   3.3671   7.1702  -0.9777   8.4332   48.048   19.789   44.691   19.923 3.356579 28.08094 
1 1 1   15    6   48 o  104.024   21.001   29.764   9.8578   0.0000   0.0000   29.764   9.8578  ?   ?   104.024   21.001      ?      ? 
1 1 1   15    6   49 o   73.792   15.937   15.980   6.2134   11.454   9.2253   19.737   8.4060   64.537   23.539   83.047   21.492 -18.51048 31.87488 
1 1 1   15    6   50 o   50.472   14.868   4.3077   5.7469   6.3510   8.9187   2.8569   7.5150   54.299   22.183   46.644   19.804 7.654598 29.73664 
1 1 1   15    6   51 o   76.025   15.023   16.289   5.6052   12.144   7.4083   21.838   8.5723   65.156   21.212   86.895   21.279 -21.73924 30.04557 
1 1 1   15    6   52 o   80.114   16.721   20.375   6.7201   18.805   10.005   21.666   9.0707   76.275   24.637   83.953   22.612 -7.678680 33.44107 
1 1 1   15    6   53 o   69.037   14.995   13.958   5.6432   22.351   8.5965   7.6035   7.4807   84.842   21.618   53.233   20.787 31.60916 29.99077 
1 1 1   15    6   54 o   56.212   15.002   9.1960   5.3654   11.753   8.1525   7.2420   7.1262   60.755   22.133   51.670   20.257 9.085194 30.00373 
1 1 1   15    6   55 o   72.707   14.926   16.548   5.3246   13.820   6.9154   20.519   8.3446   66.041   20.373   79.374   21.819 -13.33311 29.85199 
1 1 1   15    6   56 o   38.032   12.487  -1.9795   5.2154  -2.4347   8.3838  -1.6920   6.6612   39.524   18.443   36.541   16.838 2.982956 24.97375 
1 1 1   15    6   57 o   54.220   16.187   9.8357   6.9650   5.7248   14.043   11.177   8.0211   51.673   24.032   56.767   21.694 -5.093441 32.37494 
1 1 1   15    7    0 o  164.020   11.492   65.318   12.178   65.318   12.178   65.318   12.178  164.020   16.253  164.020   16.253 -0.000000 0.000000 
1 1 1   15    7    1 o  113.390   8.6841   29.825   4.5298   33.590   7.2102   27.371   5.8224  119.114   12.952  107.664   11.571 11.44990 17.36812 
1 1 1   15    7    2 o  219.738   9.6540  114.657   9.8127  113.152   14.927  115.803   13.022  218.230   14.636  221.245   12.594 -3.015274 19.30809 
1 1 1   15    7    3 o  169.949   8.4118   68.761   6.5943   64.590   9.9889   71.983   8.7793  165.175   12.940  174.723   10.751 -9.547607 16.82362 
1 1 1   15    7    4 f  189.535   8.8414   85.083   7.7493   84.199   11.811   85.751   10.268  188.497   13.407  190.572   11.529 -2.074310 17.68275 
1 1 1   15    7    5 o  107.342   7.6582   27.207   3.8119   26.897   5.7426   27.452   5.0967  106.731   11.513  107.954   10.102 -1.223587 15.31633 
1 1 1   15    7    6 o   98.897   7.0758   23.306   3.2188   21.231   4.8744   24.911   4.2862   94.867   10.994  102.927   8.9105 -8.059662 14.15166 
1 1 1   15    7    7 o  145.358   7.8202   50.251   5.2426   47.078   7.9400   52.703   6.9806  141.129   12.038  149.588   9.9852 -8.459061 15.64042 
1 1 1   15    7    8 o  106.486   7.2442   26.718   3.5677   26.740   5.4522   26.701   4.7180  106.460   10.958  106.512   9.4779 -0.5168915E-01 14.48850 
1 1 1   15    7    9 o   71.771   8.7778   12.511   2.8400   10.074   4.0199   14.938   4.0127   63.965   13.848   79.577   10.790 -15.61266 17.55554 
1 1 1   15    7   10 o  232.271   16.771  127.265   17.440  116.428   21.401  148.684   30.088  219.255   20.885  245.286   26.247 -26.03128 33.54263 
1 1 1   15    7   11 o   80.293   11.774   15.905   4.2729   13.915   5.8888   18.117   6.2095   74.790   17.206   85.795   16.077 -11.00481 23.54823 
1 1 1   15    7   12 o  134.912   10.619   43.437   6.6740   39.308   9.4027   47.630   9.4747  128.323   15.679  141.500   14.327 -13.17763 21.23893 
1 1 1   15    7   13 f  253.220   15.740  157.618   18.423  181.845   25.913  132.856   26.197  273.978   20.237  232.462   24.113 41.51643 31.47985 
1 1 1   15    7   14 o  212.478   13.541  109.090   13.437  113.088   18.952  105.049   19.055  216.546   18.726  208.411   19.563 8.135056 27.08127 
1 1 1   15    7   15 o  131.085   13.420   40.974   7.7216   39.963   9.3819   43.097   13.594  129.320   15.523  132.850   21.895 -3.530243 26.83985 
1 1 1   15    7   16 o  154.836   17.346   60.382   12.140   68.155   16.994   52.282   17.349  166.984   21.776  142.688   27.005 24.29593 34.69153 
1 1 1   15    7   17 o  181.467   15.739   83.343   12.410   73.060   21.108   88.775   15.341  170.853   26.435  192.081   17.089 -21.22751 31.47808 
1 1 1   15    7   18 o  198.018   14.973   94.054   11.967  100.061   24.199   92.109   13.769  199.858   25.908  196.179   15.018 3.678757 29.94594 
1 1 1   15    7   19 o  156.250   10.768   58.420   7.7003   59.216   12.215   57.895   9.9196  156.731   16.676  155.769   13.626 0.9624023 21.53524 
1 1 1   15    7   20 o  153.063   10.149   55.655   7.1418   58.512   11.268   53.737   9.2333  156.027   15.453  150.098   13.162 5.928635 20.29881 
1 1 1   15    7   21 o  277.608   15.226  190.010   19.356  192.683   30.609  188.228   24.986  277.724   23.583  277.492   19.267 0.2321777 30.45250 
1 1 1   15    7   22 o  159.957   17.745   73.901   10.194   49.623   20.451   81.926   11.759  134.755   32.787  185.160   13.588 -50.40524 35.49081 
1 1 1   15    7   23 o  219.830   16.115  118.853   14.273  121.545   28.582  117.959   16.474  218.248   28.022  221.413   15.921 -3.165298 32.22900 
1 1 1   15    7   24 o  180.355   26.320   82.222   22.185   82.222   22.185   0.0000   0.0000  180.355   26.320  ?   ?       ?      ? 
1 1 1   15    7   25 o  177.733   15.425   76.885   12.139   82.624   21.065   74.032   14.854  181.091   24.890  174.374   18.227 6.717529 30.85018 
1 1 1   15    7   26 o  217.860   17.779  123.524   16.670  111.156   28.911  129.684   20.404  205.745   30.067  229.976   18.984 -24.23109 35.55888 
1 1 1   15    7   27 o  287.235   19.559  200.959   23.260  246.205   46.427  185.797   26.876  301.296   32.971  273.174   21.051 28.12173 39.11856 
1 1 1   15    7   28 o  165.678   11.108   65.720   8.4887   71.679   13.320   61.644   11.015  171.568   16.612  159.789   14.751 11.77856 22.21565 
1 1 1   15    7   29 o  136.557   10.598   45.196   6.6088   44.233   10.449   45.838   8.5319  134.845   16.581  138.270   13.203 -3.424545 21.19566 
1 1 1   15    7   30 o  130.221   8.3638   39.980   5.0399   32.881   6.7753   48.776   7.5410  117.305   12.359  143.138   11.273 -25.83325 16.72751 
1 1 1   15    7   31 o  184.918   10.800   83.115   9.1059   84.839   11.745   80.518   14.417  188.061   13.364  181.774   16.971 6.286499 21.60061 
1 1 1   15    7   32 o  285.424   14.793  202.515   19.732  199.980   27.715  205.121   28.099  283.623   20.909  287.225   20.933 -3.602661 29.58671 
1 1 1   15    7   33 o  125.591   9.1927   37.739   5.3902   40.184   7.7496   35.447   7.5022  129.575   12.797  121.607   13.200 7.968567 18.38534 
1 1 1   15    7   34 o   89.882   12.550   19.066   5.0772   26.461   8.3774   14.774   6.3830  103.801   17.269   75.964   18.215 27.83667 25.09990 
1 1 1   15    7   35 o  135.267   9.0150   43.668   5.6739   38.717   7.6713   49.648   8.4305  126.809   12.944  143.725   12.551 -16.91580 18.02998 
1 1 1   15    7   36 o  218.156   14.903  119.558   12.882  119.596   14.797  119.441   26.179  222.413   14.235  213.899   26.188 8.513931 29.80699 
1 1 1   15    7   37 o  111.342   14.393   31.861   7.2601   36.964   10.184   26.589   10.353  122.281   17.820  100.403   22.607 21.87817 28.78657 
1 1 1   15    7   38 o  171.422   19.081   80.936   13.438   84.080   16.252   74.139   23.895  183.147   18.988  159.697   33.103 23.44994 38.16206 
1 1 1   15    7   39 o  157.735   15.028   59.344   10.303   52.394   12.219   76.439   19.165  144.796   18.057  170.674   24.027 -25.87862 30.05608 
1 1 1   15    7   40 o  112.194   17.827   33.583   8.5566   32.835   10.125   35.451   16.006  114.046   18.996  110.341   30.172 3.704956 35.65391 
1 1 1   15    7   41 o   66.490   17.455   4.7265   9.0256   21.564   12.366 -14.4662   13.203   87.511   27.285   45.468   21.776 42.04255 34.90938 
1 1 1   15    7   42 o   76.987   20.249   15.476   9.7111   14.723   13.228   16.358   14.302   75.463   28.071   78.511   29.192 -3.048027 40.49875 
1 1 1   15    7   43 o   90.691   21.465   24.031   10.999   31.351   15.719   17.009   15.396  101.852   30.575   79.530   30.136 22.32211 42.93039 
1 1 1   15    7   44 o  143.235   13.455   43.118   8.0751   31.903   9.2513   79.002   16.549  112.168   17.648  174.301   20.315 -62.13286 26.91009 
1 1 1   15    7   45 o   84.856   13.901   18.627   5.4365   13.200   7.0742   26.454   8.4963   69.787   20.403   99.926   18.885 -30.13908 27.80135 
1 1 1   15    7   46 o  105.972   15.487   34.071   6.7829   38.169   8.0188   23.764   12.717  123.830   13.856   88.113   27.701 35.71670 30.97340 
1 1 1   15    7   47 o   95.924   15.507   26.672   6.8379   30.542   8.6348   20.166   11.198  109.248   16.912   82.599   25.998 26.64904 31.01498 
1 1 1   15    7   48 o   67.462   15.620   13.290   6.7372  -3.0871   12.974   19.336   7.8833   51.551   23.660   83.374   20.399 -31.82277 31.23988 
1 1 1   15    7   49 o   42.827   13.599  -1.0720   5.7041   0.7871   7.9598  -3.0345   8.1783   44.841   19.701   40.813   18.752 4.027851 27.19843 
1 1 1   15    7   50 o   75.971   15.650   16.721   5.6413   15.903   6.8405   18.460   9.9745   74.885   19.392   77.057   24.569 -2.171593 31.29971 
1 1 1   15    7   51 o   57.135   13.925   2.5532   6.0333   19.711   8.9132 -11.9557   8.1964   81.056   22.652   33.214   16.202 47.84173 27.84986 
1 1 1   15    7   52 o   60.813   15.720   9.8157   6.4122   18.142   9.2482   2.1072   8.8983   74.662   23.642   46.964   20.725 27.69724 31.43936 
1 1 1   15    7   53 o   88.742   17.908   27.015   7.9602   20.823   10.861   34.200   11.700   76.459   25.712  101.025   24.933 -24.56633 35.81600 
1 1 1   15    7   54 o   41.573   13.048  -5.7793   5.6989   9.1703   8.6337 -17.3218   7.5864   55.535   22.130   27.610   13.828 27.92531 26.09528 
1 1 1   15    7   55 o   45.064   13.961   2.2434   5.5821   6.1303   8.6339  -0.5482   7.3170   50.512   21.324   39.616   18.024 10.89631 27.92108 
1 1 1   15    7   56 o   40.520   13.095  -0.2894   5.5787   2.3169   7.9828  -2.7773   7.7994   43.482   19.384   37.559   17.611 5.922352 26.18951 
1 1 1   15    8    0 o  120.666   10.973   35.976   8.3538   35.976   8.3538   35.976   8.3538  120.666   15.518  120.666   15.518 -0.000000 0.000000 
1 1 1   15    8    1 o  232.556   12.324  126.869   13.212  145.171   20.890  114.668   17.056  246.015   18.169  219.098   16.657 26.91753 24.64898 
1 1 1   15    8    2 o  101.033   7.7638   25.239   3.4890   17.915   5.2240   31.136   4.6879   86.985   12.850  115.080   8.7163 -28.09549 15.52769 
1 1 1   15    8    3 o  115.298   7.3171   31.807   3.8740   28.112   5.8336   34.721   5.1814  109.108   11.440  121.489   9.1258 -12.38088 14.63427 
1 1 1   15    8    4 o  201.788   9.4205   96.548   8.8032   96.319   13.368   96.723   11.698  201.380   14.203  202.196   12.379 -0.8151093 18.84106 
1 1 1   15    8    5 o  198.329   8.9205   93.152   8.2607   88.359   11.656   97.989   11.709  193.139   12.913  203.518   12.311 -10.37828 17.84100 
1 1 1   15    8    6 o  123.185   7.6709   35.557   4.3793   37.659   6.7126   34.000   5.7783  126.273   11.375  120.097   10.295 6.176544 15.34175 
1 1 1   15    8    7 o  143.629   8.8819   48.853   5.9605   49.167   8.3531   48.528   8.5078  144.123   12.401  143.136   12.718 0.9871826 17.76373 
1 1 1   15    8    8 o  299.656   13.302  216.215   18.625  211.818   26.343  220.611   26.338  296.517   19.009  302.796   18.612 -6.279694 26.60362 
1 1 1   15    8    9 o  184.624   9.7630   81.023   8.4092   75.159   11.833   87.007   11.953  177.773   14.242  191.474   13.357 -13.70042 19.52596 
1 1 1   15    8   10 o  345.343   16.010  291.379   25.838  286.820   36.522  295.946   36.558  342.523   22.815  348.162   22.468 -5.638794 32.02058 
1 1 1   15    8   11 o  173.121   9.5856   71.545   7.7126   78.666   10.784   64.089   11.035  182.162   12.667  164.080   14.391 18.08183 19.17125 
1 1 1   15    8   12 o  280.794   20.055  199.595   22.427  193.646   44.903  201.573   25.888  272.728   35.229  288.860   19.176 -16.13272 40.10988 
1 1 1   15    8   13 o  200.872   12.697   97.196   11.902   90.910   16.770  103.577   16.895  194.148   18.482  207.596   17.414 -13.44807 25.39352 
1 1 1   15    8   14 o  131.462   9.9059   42.282   5.8295   36.664   9.3402   45.867   7.4611  123.706   16.156  139.217   11.467 -15.51134 19.81182 
1 1 1   15    8   15 o  132.767   10.206   41.884   6.3116   47.019   9.2255   37.366   8.6539  140.457   14.054  125.078   14.804 15.37917 20.41292 
1 1 1   15    8   16 o  202.775   19.253   99.855   18.246   0.0000   0.0000   99.855   18.246  ?   ?   202.775   19.253      ?      ? 
1 1 1   15    8   17 o  282.714   22.331  219.064   24.221  182.327   48.333  231.384   27.989  257.158   40.216  308.270   19.427 -51.11227 44.66289 
1 1 1   15    8   18 o  225.657   15.885  125.897   14.476  125.972   28.735  125.871   16.758  222.480   27.636  228.835   15.670 -6.354568 31.76930 
1 1 1   15    8   19 o   80.037   11.966   16.734   4.3164   11.750   6.8581   20.004   5.5545   68.491   20.107   91.583   12.977 -23.09165 23.93127 
1 1 1   15    8   20 o  192.618   15.181   92.361   11.626   90.061   23.444   93.111   13.388  188.190   26.656  197.046   14.538 -8.855515 30.36281 
1 1 1   15    8   21 o  251.874   18.023  157.067   18.315  165.199   36.764  154.382   21.123  251.529   31.275  252.219   17.920 -0.6898193 36.04506 
1 1 1   15    8   22 o  218.427   16.578  118.673   15.850  118.369   27.585  118.823   19.366  215.844   27.346  221.010   18.749 -5.166000 33.15645 
1 1 1   15    8   23 o  116.345   15.397   37.731   7.5225   23.582   12.651   45.470   9.3560   94.923   27.150  137.767   14.531 -42.84456 30.79412 
1 1 1   15    8   24 o  100.999   13.998   24.922   6.2375   21.796   7.8927   30.121   10.179   92.990   18.807  109.009   20.739 -16.01853 27.99692 
1 1 1   15    8   25 f   38.225   11.432   0.3387   3.5866  -2.5038   5.7044   2.1971   4.6123   35.898   16.164   40.553   16.170 -4.654728 22.86371 
1 1 1   15    8   26 o  126.678   10.255   38.046   5.9884   42.421   9.4464   35.106   7.7432  132.462   15.259  120.894   13.705 11.56838 20.51005 
1 1 1   15    8   27 o  182.512   15.185   84.621   11.149   80.287   21.884   86.140   12.956  176.105   26.590  188.919   14.675 -12.81412 30.37021 
1 1 1   15    8   28 o  121.091   11.735   37.615   6.1108   29.740   9.6433   42.899   7.8993  108.271   19.787  133.912   12.622 -25.64153 23.46993 
1 1 1   15    8   29 o  188.342   12.441   90.836   10.337   69.451   16.228  105.438   13.410  167.150   20.774  209.535   13.694 -42.38487 24.88187 
1 1 1   15    8   30 o  104.446   12.259   27.525   5.5995   24.913   9.0120   29.167   7.1464   98.737   20.210  110.155   13.882 -11.41773 24.51852 
1 1 1   15    8   31 o  132.458   12.166   43.559   7.3660   34.870   10.700   51.386   10.156  118.974   19.243  145.942   14.890 -26.96725 24.33111 
1 1 1   15    8   32 o   65.417   15.340   9.5099   5.2251   13.788   9.1633   7.4486   6.3605   73.894   23.547   56.941   19.666 16.95388 30.67936 
1 1 1   15    8   33 o   60.174   10.927   7.8987   2.7762   6.4957   3.1943   12.231   5.6131   51.037   13.269   69.310   17.365 -18.27280 21.85374 
1 1 1   15    8   34 o  137.481   10.910   44.938   6.8986   52.643   11.020   39.972   8.8465  146.688   16.074  128.274   14.757 18.41383 21.82082 
1 1 1   15    8   35 o  133.823   12.616   46.586   7.1294   63.881   9.9666   28.463   10.203  162.967   13.086  104.679   21.572 58.28814 25.23115 
1 1 1   15    8   36 o  212.915   14.587  109.597   12.237  105.872   13.900  122.424   25.797  209.121   14.223  216.710   25.471 -7.588837 29.17306 
1 1 1   15    8   37 o  158.992   13.470   57.913   8.5258   53.343   9.6353   74.400   18.301  148.276   13.904  169.707   23.074 -21.43153 26.93995 
1 1 1   15    8   38 o  235.336   15.801  129.053   15.508  113.540   17.850  176.803   31.318  213.353   17.902  257.320   26.042 -43.96712 31.60185 
1 1 1   15    8   39 o   75.572   28.500   14.008   13.728   14.008   13.728   0.0000   0.0000   75.572   28.500  ?   ?       ?      ? 
1 1 1   15    8   40 f  123.156   20.284   42.635   11.463   52.623   17.340   34.879   15.279  136.578   28.103  109.734   29.258 26.84476 40.56827 
1 1 1   15    8   41 o   58.674   17.599   3.9320   8.2732   0.4051   13.816   5.9036   10.330   58.348   25.782   59.000   23.962 -0.6516762 35.19804 
1 1 1   15    8   42 o  214.542   35.377  142.310   35.471  142.310   35.471   0.0000   0.0000  214.542   35.377  ?   ?       ?      ? 
1 1 1   15    8   43 o  101.948   24.376   29.052   11.457   29.052   11.457   0.0000   0.0000  101.948   24.376  ?   ?       ?      ? 
1 1 1   15    8   44 o   78.793   16.323   15.922   5.7352   14.501   6.5875   20.371   11.658   73.663   19.008   83.924   26.541 -10.26057 32.64505 
1 1 1   15    8   45 o  169.004   14.511   71.115   10.258   65.123   11.917   88.262   20.159  160.322   15.904  177.687   24.276 -17.36478 29.02197 
1 1 1   15    8   46 o  148.035   18.721   64.555   11.968   67.968   15.083   58.754   19.666  160.056   20.164  136.014   31.549 24.04234 37.44230 
1 1 1   15    8   47 o   71.671   18.469   13.872   8.4051   7.2937   11.971   20.268   11.804   61.323   25.442   82.018   26.779 -20.69460 36.93765 
1 1 1   15    8   48 o   67.376   18.114   12.228   8.1785   17.830   11.512   6.5175   11.621   76.029   26.445   58.723   24.762 17.30558 36.22884 
1 1 1   15    8   49 o  114.912   18.070   42.380   9.4882   47.025   12.126   35.045   15.238  130.173   19.932   99.650   30.147 30.52367 36.13986 
1 1 1   15    8   50 o   58.774   16.893   7.3061   7.7854  -1.3815   12.455   12.878   9.9742   50.995   23.323   66.553   24.445 -15.55848 33.78619 
1 1 1   15    8   51 o   87.619   16.720   25.321   7.7464   35.252   10.524   13.578   11.444  109.289   21.370   65.949   25.722 43.34022 33.44094 
1 1 1   15    8   52 o   63.518   15.685   11.418   6.0025   5.5782   7.8608   19.586   9.2961   50.007   20.671   77.029   23.598 -27.02161 31.37099 
1 1 1   15    8   53 o   60.958   15.301   11.950   5.5819   13.611   7.0322   9.1218   9.1774   65.875   20.581   56.042   22.647 9.832630 30.60196 
1 1 1   15    8   54 o   46.625   13.782   4.1729   5.2781   7.7214   6.9868  -0.5438   8.0553   52.091   20.159   41.159   18.798 10.93145 27.56328 
1 1 1   15    8   55 o   45.043   13.363   3.1571   5.2086   8.2089   6.8314  -3.8572   8.0498   52.571   20.037   37.515   17.685 15.05539 26.72528 
1 1 1   15    8   56 o   58.139   16.175   11.735   6.3581   15.912   10.036   8.9335   8.2178   63.540   24.270   52.737   21.389 10.80329 32.34936 
1 1 1   15    9    0 o  291.142   17.087  206.954   32.359  206.954   32.359  206.954   32.359  291.142   24.165  291.142   24.165 -0.000000 0.000000 
1 1 1   15    9    1 o  188.723   10.640   84.444   9.1982   86.888   14.612   82.840   11.838  190.635   16.401  186.811   13.559 3.823151 21.28008 
1 1 1   15    9    2 o  264.007   13.147  164.510   16.001  187.365   25.283  149.238   20.667  278.663   19.414  249.351   17.735 29.31160 26.29482 
1 1 1   15    9    3 o  229.844   11.064  126.075   11.882  122.526   16.748  129.671   16.861  226.535   15.819  233.153   15.474 -6.618591 22.12881 
1 1 1   15    9    4 o  165.359   8.8934   64.964   6.8216   55.413   9.5630   74.858   9.7338  152.798   13.392  177.920   11.706 -25.12131 17.78679 
1 1 1   15    9    5 o  108.063   7.4877   27.622   3.7722   29.350   5.2798   25.820   5.3913  111.570   10.126  104.557   11.033 7.013245 14.97537 
1 1 1   15    9    6 o  142.968   9.1033   48.323   5.9848   47.671   7.7753   49.272   9.3752  141.965   11.719  143.971   13.934 -2.005661 18.20652 
1 1 1   15    9    7 o  123.579   8.3381   36.653   4.7247   28.909   6.7391   44.139   6.6257  110.382   13.064  136.777   10.365 -26.39509 16.67624 
1 1 1   15    9    8 o  144.111   9.4909   48.375   6.2680   44.801   7.9941   54.079   10.099  137.498   12.440  150.724   14.337 -13.22528 18.98176 
1 1 1   15    9    9 o  190.036   10.766   84.567   9.3873   78.200   12.002   94.599   15.065  181.264   14.168  198.807   16.215 -17.54315 21.53231 
1 1 1   15    9   10 o  296.166   14.490  206.377   19.738  172.863   25.403  257.436   31.355  266.840   20.370  325.492   20.612 -58.65216 28.97905 
1 1 1   15    9   11 o  192.417   12.083   92.769   10.270  104.247   13.132   74.697   16.478  209.413   13.418  175.421   20.099 33.99207 24.16652 
1 1 1   15    9   12 o  141.837   10.932   48.126   7.2449   48.543   10.173   47.697   10.320  142.499   15.275  141.175   15.642 1.324463 21.86330 
1 1 1   15    9   13 o  206.892   16.441  109.113   14.657   95.100   25.241  116.241   18.003  194.184   27.813  219.599   17.541 -25.41472 32.88291 
1 1 1   15    9   14 o  121.960   15.248   39.341   7.6355   43.028   9.2378   31.391   13.565  134.150   14.734  109.769   26.699 24.38194 30.49518 
1 1 1   15    9   15 o  167.610   11.936   68.081   9.2877   60.030   13.244   75.871   13.028  157.455   17.998  177.766   15.681 -20.31046 23.87138 
1 1 1   15    9   16 o  122.402   13.655   38.672   6.8943   32.740   12.095   41.528   8.3911  112.911   23.676  131.894   13.613 -18.98354 27.31095 
1 1 1   15    9   17 o  222.363   19.131  129.805   18.192  113.877   31.619  137.687   22.242  207.740   32.568  236.986   20.082 -29.24599 38.26144 
1 1 1   15    9   18 o  208.046   19.032  105.698   18.505   0.0000   0.0000  105.698   18.505  ?   ?   208.046   19.032      ?      ? 
1 1 1   15    9   19 o  260.150   20.228  171.872   23.120  180.177   40.340  167.811   28.213  260.764   33.101  259.535   23.260 1.228210 40.45633 
1 1 1   15    9   20 o  190.518   18.402   92.761   15.450  121.557   22.415   66.694   21.326  222.078   21.596  158.958   29.801 63.11987 36.80376 
1 1 1   15    9   21 o  105.973   16.550   28.761   7.9579   30.506   11.773   27.293   10.799  108.838   23.807  103.108   22.995 5.730118 33.09911 
1 1 1   15    9   22 o  112.097   14.351   30.992   7.1145   30.001   8.9624   32.681   11.698  111.289   17.232  112.905   22.953 -1.615463 28.70103 
1 1 1   15    9   23 o  285.253   18.956  189.489   24.081  136.464   29.524  294.864   41.620  230.430   27.415  340.076   26.187 -109.6455 37.91251 
1 1 1   15    9   24 o  301.951   18.189  233.126   25.661  227.694   36.352  238.522   36.228  298.066   26.096  305.836   25.346 -7.769470 36.37888 
1 1 1   15    9   25 o  213.807   13.758  112.883   13.743  116.829   19.581  109.052   19.294  217.608   19.254  210.005   19.658 7.602905 27.51668 
1 1 1   15    9   26 o  131.051   11.703   41.886   7.1470   40.420   10.383   43.207   9.8525  128.633   17.272  133.468   15.795 -4.835419 23.40507 
1 1 1   15    9   27 f  147.020   11.922   52.801   8.1622   49.905   11.823   55.439   11.282  142.848   17.710  151.192   15.967 -8.343735 23.84485 
1 1 1   15    9   28 o  275.603   20.654  193.128   25.384  223.686   43.943  177.824   31.097  287.484   32.706  263.722   25.231 23.76184 41.30736 
1 1 1   15    9   29 o  324.652   19.877  276.502   29.812  233.576   42.196  319.287   42.126  296.376   30.464  352.928   25.540 -56.55206 39.75342 
1 1 1   15    9   30 o  130.500   11.808   41.113   7.1108   50.833   10.514   32.918   9.6537  144.964   15.518  116.035   17.802 28.92947 23.61621 
1 1 1   15    9   31 f  141.917   13.931   52.166   8.4512   33.376   12.071   70.232   11.836  113.217   23.579  170.616   14.844 -57.39832 27.86236 
1 1 1   15    9   32 o  211.380   22.503  135.841   18.406   86.749   31.732  160.736   22.597  168.079   40.806  254.682   18.985 -86.60300 45.00568 
1 1 1   15    9   33 f   91.005   16.743   22.269   7.6607   12.143   10.981   31.868   10.692   71.261   25.729  110.748   21.433 -39.48709 33.48623 
1 1 1   15    9   34 o   64.797   14.766   9.6447   5.7802   16.700   7.7875   0.9891   8.6255   80.171   20.656   49.423   21.106 30.74787 29.53185 
1 1 1   15    9   35 o   88.844   16.231   20.540   6.7337   18.282   8.8453   23.652   10.385   83.363   22.278   94.326   23.612 -10.96381 32.46261 
1 1 1   15    9   36 o  201.680   23.999  118.255   21.669   99.280   31.375  135.562   29.964  179.922   38.477  223.439   28.694 -43.51675 47.99869 
1 1 1   15    9   37 o   41.554   15.490   3.3895   4.0322   3.3895   4.0322   0.0000   0.0000   41.554   15.490  ?   ?       ?      ? 
1 1 1   15    9   38 o   67.751   18.572   9.6067   8.2035   12.327   13.280   7.9279   10.432   72.751   27.887   62.752   24.535 9.998665 37.14363 
1 1 1   15    9   39 o   53.286   14.588   5.3482   4.3311   5.3469   4.7919   5.3538   10.122   48.454   17.050   58.118   23.675 -9.663692 29.17533 
1 1 1   15    9   40 o  142.594   19.930   56.617   12.983   72.826   19.381   43.421   17.487  164.280   25.243  120.909   30.847 43.37143 39.85903 
1 1 1   15    9   41 o   93.613   30.399   26.075   15.219   26.075   15.219   0.0000   0.0000   93.613   30.399  ?   ?       ?      ? 
1 1 1   15    9   42 o  157.788   11.982   60.409   8.8358   60.409   8.8358   0.0000   0.0000  157.788   11.982  ?   ?       ?      ? 
1 1 1   15    9   43 o   65.308   15.908   10.939   5.4524   11.275   6.2689   9.8956   11.049   65.238   19.244   65.378   25.336 -0.1394806 31.81600 
1 1 1   15    9   44 o  152.923   13.703   54.752   8.8464   46.838   10.232   78.187   17.607  135.976   16.101  169.870   22.178 -33.89420 27.40590 
1 1 1   15    9   45 o   52.134   15.130   4.5084   5.2004   4.4102   5.9248   4.8379   10.854   47.476   18.510   56.792   23.938 -9.315758 30.26005 
1 1 1   15    9   46 o   97.360   15.423   23.936   6.4079   19.680   7.6102   34.306   11.879   85.053   19.554  109.666   23.856 -24.61264 30.84572 
1 1 1   15    9   47 o   59.828   17.914   4.1502   8.6220   14.177   13.993  -1.9869   10.947   71.131   28.227   48.525   22.066 22.60621 35.82820 
1 1 1   15    9   48 o   75.837   16.877   18.413   6.8032   20.640   8.1028   13.093   12.524   84.566   20.675   67.109   26.681 17.45741 33.75445 
1 1 1   15    9   49 o   53.703   15.350   3.3505   5.3045   0.0694   6.0802   13.804   10.853   39.197   17.220   68.208   25.416 -29.01095 30.69994 
1 1 1   15    9   50 o   76.913   18.025   19.260   7.5927   20.615   9.6688   17.081   12.263   81.363   23.871   72.462   27.014 8.901443 36.04945 
1 1 1   15    9   51 o   59.122   16.199   9.5704   7.1325   16.142   9.2632   0.0000   11.179   70.118   23.745   48.126   22.042 21.99265 32.39826 
1 1 1   15    9   52 o   41.418   13.127   0.5664   5.0943   1.6251   6.2188  -1.5934   8.8820   40.660   17.646   42.176   19.438 -1.515755 26.25322 
1 1 1   15    9   53 o   47.536   14.099   4.9348   5.2704   6.6143   6.3142   1.0769   9.5698   49.507   19.162   45.565   20.686 3.941841 28.19717 
1 1 1   15    9   54 o   72.381   16.704   16.225   5.8704   13.363   6.8049   24.554   11.607   64.907   20.241   79.855   26.579 -14.94818 33.40827 
1 1 1   15    9   55 o   47.074   15.470   1.8377   7.7865   2.2218   13.814   1.6589   9.4267   49.558   23.302   44.591   20.354 4.966831 30.93945 
1 1 1   15   10    0 o  260.903   13.263  164.022   22.599  164.022   22.599  164.022   22.599  260.903   18.757  260.903   18.757 -0.000000 0.000000 
1 1 1   15   10    1 o   93.170   8.7059   20.590   3.6848   20.465   5.9420   20.668   4.6970   92.788   13.702   93.552   10.743 -0.7636185 17.41173 
1 1 1   15   10    2 o  106.751   9.3036   28.120   4.4137   22.938   7.0370   31.481   5.6670   98.018   15.362  115.485   10.500 -17.46671 18.60718 
1 1 1   15   10    3 o  292.832   14.264  207.953   19.515  213.659   27.596  202.245   27.600  297.003   19.881  288.661   20.459 8.341644 28.52749 
1 1 1   15   10    4 o  169.468   9.1294   68.154   7.2295   66.687   10.208   69.631   10.241  167.614   13.031  171.322   12.790 -3.708603 18.25881 
1 1 1   15   10    5 o   90.198   7.6409   19.260   3.2088   17.311   4.5288   21.225   4.5471   85.557   11.326   94.839   10.259 -9.281868 15.28171 
1 1 1   15   10    6 o  135.984   7.9064   43.834   5.0058   48.095   7.0716   39.554   7.0869  142.706   10.603  129.262   11.731 13.44357 15.81285 
1 1 1   15   10    7 o  202.527   13.972   94.859   11.532   90.302   13.243  109.161   23.459  194.605   14.561  210.449   23.852 -15.84399 27.94488 
1 1 1   15   10    8 o  312.767   17.134  246.909   24.127  266.050   31.126  218.098   38.188  330.924   20.126  294.610   27.735 36.31332 34.26805 
1 1 1   15   10    9 o  176.027   10.230   72.375   8.2657   66.224   10.566   82.075   13.269  166.814   13.554  185.241   15.327 -18.42712 20.45992 
1 1 1   15   10   10 o  226.500   13.027  124.688   13.432  126.938   17.264  121.238   21.380  230.024   16.059  222.977   20.517 7.047684 26.05484 
1 1 1   15   10   11 o  190.954   15.440   88.337   13.184   93.762   22.365   85.448   16.321  194.117   24.653  187.792   18.597 6.324905 30.88022 
1 1 1   15   10   12 o  280.832   16.584  195.779   21.697  178.519   30.641  213.139   30.729  267.668   24.494  293.997   22.364 -26.32913 33.16839 
1 1 1   15   10   13 o  137.845   10.717   45.648   6.8753   40.728   9.6712   50.675   9.7759  130.143   15.901  145.546   14.372 -15.40277 21.43319 
1 1 1   15   10   14 o  208.301   19.861  119.112   16.648  132.841   20.369   91.485   28.894  233.644   18.654  182.958   35.068 50.68626 39.72105 
1 1 1   15   10   15 o  179.457   12.003   77.927   10.065   77.786   14.338   78.064   14.133  179.245   17.116  179.669   16.831 -0.4236298 24.00507 
1 1 1   15   10   16 o  201.385   18.375   98.746   17.294   0.0000   0.0000   98.746   17.294  ?   ?   201.385   18.375      ?      ? 
1 1 1   15   10   17 o  193.114   17.197   90.286   15.521   0.0000   0.0000   90.286   15.521  ?   ?   193.114   17.197      ?      ? 
1 1 1   15   10   18 o  111.127   17.247   32.389   8.6374   28.580   13.306   35.162   11.355  104.269   27.068  117.984   21.380 -13.71495 34.49322 
1 1 1   15   10   19 o   76.497   21.723   14.837   8.1293   0.0000   0.0000   14.837   8.1293  ?   ?    76.497   21.723      ?      ? 
1 1 1   15   10   20 o   94.887   14.184   23.307   6.0707   26.431   7.8339   18.612   9.6046  104.735   16.004   85.039   23.421 19.69611 28.36731 
1 1 1   15   10   21 o  336.041   27.070  313.174   39.658  313.206   48.615  313.111   68.565  346.403   30.029  325.679   45.048 20.72437 54.13913 
1 1 1   15   10   22 o  194.365   12.765   92.281   11.566  100.704   16.507   84.159   16.209  203.392   17.366  185.337   18.714 18.05478 25.52977 
1 1 1   15   10   23 o  180.744   12.525   79.905   10.575   78.138   15.047   81.630   14.866  178.626   18.025  182.862   17.395 -4.236298 25.04937 
1 1 1   15   10   24 o  120.978   11.680   35.833   6.5581   31.999   9.4350   39.416   9.1221  114.334   17.657  127.622   15.294 -13.28728 23.35996 
1 1 1   15   10   25 o  196.216   12.804   94.485   11.729   90.672   16.698   98.198   16.479  192.049   18.604  200.383   17.596 -8.334732 25.60732 
1 1 1   15   10   26 o  165.715   19.383   72.978   14.342   87.342   20.037   57.886   20.538  186.169   23.029  145.260   31.185 40.90906 38.76603 
1 1 1   15   10   27 o  247.288   19.972  160.373   21.573  157.198   37.262  161.974   26.459  240.493   33.152  254.083   22.282 -13.58997 39.94475 
1 1 1   15   10   28 o  183.348   13.277   83.511   11.215   69.271   16.059   97.066   15.668  167.014   20.574  199.681   16.789 -32.66681 26.55498 
1 1 1   15   10   29 o  160.924   16.670   69.285   11.133   76.353   13.802   56.124   18.835  177.228   16.664  144.620   28.878 32.60736 33.34078 
1 1 1   15   10   30 o  195.901   13.242   94.452   12.115   91.960   17.294   96.853   16.977  193.134   19.160  198.668   18.285 -5.534348 26.48493 
1 1 1   15   10   31 o  109.489   15.873   33.752   7.7209   41.776   9.8407   20.902   12.453  130.810   16.097   88.168   27.362 42.64268 31.74599 
1 1 1   15   10   32 o   62.909   14.894   7.2143   5.8295   17.300   8.7933  -0.6944   7.7865   81.043   22.446   44.776   19.583 36.26673 29.78837 
1 1 1   15   10   33 o  161.294   18.816   69.112   13.706   58.828   19.411   79.337   19.356  146.470   29.379  176.119   23.516 -29.64917 37.63134 
1 1 1   15   10   34 o   78.736   18.479   16.593   8.3492   6.4140   14.891   21.261   10.083   68.103   28.324   89.370   23.740 -21.26743 36.95749 
1 1 1   15   10   35 o  101.786   17.368   28.801   7.6204   23.968   15.092   30.454   8.8285   92.540   30.283  111.032   17.014 -18.49241 34.73512 
1 1 1   15   10   36 o  162.779   18.589   73.803   12.119   64.951   22.208   77.557   14.463  148.966   32.788  176.591   17.524 -27.62468 37.17743 
1 1 1   15   10   37 o   81.435   11.610   15.916   4.3318   9.7159   5.6114   25.061   6.8145   61.581   18.219  101.289   14.396 -39.70769 23.21984 
1 1 1   15   10   38 o   86.992   14.969   17.457   5.2651   14.928   5.9666   26.355   11.191   76.052   17.191   97.931   24.510 -21.87834 29.93799 
1 1 1   15   10   39 o   77.971   17.293   15.744   6.1363   15.744   6.1363   0.0000   0.0000   77.971   17.293  ?   ?       ?      ? 
1 1 1   15   10   40 o   42.636   15.332   3.9544   3.8948   3.9544   3.8948   0.0000   0.0000   42.636   15.332  ?   ?       ?      ? 
1 1 1   15   10   41 o  107.326   22.723   31.413   11.043   31.413   11.043   0.0000   0.0000  107.326   22.723  ?   ?       ?      ? 
1 1 1   15   10   42 o  121.616   17.569   40.419   9.4520   36.666   12.021   46.497   15.298  115.598   23.059  127.633   26.513 -12.03513 35.13783 
1 1 1   15   10   43 o   75.589   18.039   16.273   7.8774   20.927   10.570   10.458   11.814   84.966   24.968   66.211   26.043 18.75419 36.07837 
1 1 1   15   10   44 o   77.698   18.441   17.379   7.7694   15.822   9.9864   19.768   12.366   74.307   24.649   81.089   27.435 -6.781639 36.88219 
1 1 1   15   10   45 o   69.555   17.984   13.170   7.7492   15.822   10.328   9.7542   11.722   74.379   25.072   64.731   25.789 9.647667 35.96808 
1 1 1   15   10   46 o   70.141   18.552   9.5636   8.2958   26.066   14.469   1.4823   10.125   89.454   29.670   50.828   22.279 38.62568 37.10309 
1 1 1   15   10   47 o   68.010   19.126   13.454   9.0519   11.681   14.778   14.519   11.451   66.660   28.006   69.360   26.056 -2.699516 38.25241 
1 1 1   15   10   48 o   94.648   13.352   16.461   6.0562   3.7899   6.9973   54.291   12.090   47.298   19.523  141.998   18.219 -94.70020 26.70309 
1 1 1   15   10   49 o   88.752   16.055   26.002   6.7466   29.225   7.7643   16.070   13.631  105.978   15.676   71.527   28.024 34.45071 32.11076 
1 1 1   15   10   50 o   51.075   14.170   5.9325   5.4785   10.367   6.7537  -2.6014   9.3687   59.374   20.274   42.776   19.802 16.59831 28.33975 
1 1 1   15   10   51 o   53.250   14.830   7.7335   5.3908   9.1263   6.3953   4.3146   10.020   55.860   19.693   50.640   22.180 5.219997 29.66065 
1 1 1   15   10   52 o   66.010   15.023   15.068   5.7503   18.212   6.8388   7.4808   10.623   77.804   18.977   54.216   23.294 23.58760 30.04594 
1 1 1   15   10   53 o   51.552   15.190   6.5247   5.5317   5.9789   6.4115   8.1141   10.941   48.212   19.115   54.891   23.614 -6.679043 30.38093 
1 1 1   15   10   54 o   61.972   16.416   12.994   6.2710   10.247   7.9450   17.535   10.213   56.147   21.559   67.798   24.761 -11.65097 32.83144 
1 1 1   15   10   55 o   47.840   14.357   5.9569   5.6711   7.8114   7.1349   2.7753   9.3454   50.488   20.118   45.192   20.487 5.295822 28.71338 
1 1 1   15   11    0 f  121.198   8.2178   35.486   6.4437   35.486   6.4437   35.486   6.4437  121.198   11.622  121.198   11.622 -0.000000 0.000000 
1 1 1   15   11    1 o  236.036   12.191  132.972   13.209  139.984   20.942  128.338   17.023  240.588   18.625  231.484   15.736 9.103699 24.38220 
1 1 1   15   11    2 o  159.081   10.317   61.271   7.4082   56.794   11.892   64.110   9.4702  153.783   16.547  164.378   12.327 -10.59460 20.63408 
1 1 1   15   11    3 o  174.884   8.9960   72.666   7.3504   71.666   10.477   73.635   10.315  173.657   12.909  176.111   12.533 -2.453751 17.99209 
1 1 1   15   11    4 o  187.970   9.2588   84.023   8.1336   83.766   11.492   84.281   11.514  187.679   13.102  188.260   13.086 -0.5806885 18.51763 
1 1 1   15   11    5 o  295.278   13.635  211.811   18.793  200.005   26.567  223.637   26.589  286.721   19.826  303.836   18.725 -17.11514 27.27081 
1 1 1   15   11    6 o  131.270   7.7106   40.824   4.7236   43.054   6.6540   38.557   6.7068  134.942   10.551  127.599   11.247 7.342949 15.42115 
1 1 1   15   11    7 o   92.732   9.4469   20.337   3.9293   19.970   4.8928   21.004   6.5939   91.800   11.404   93.664   15.064 -1.863220 18.89375 
1 1 1   15   11    8 o  178.962   13.597   76.863   9.7879   75.854   11.259   79.984   19.806  178.375   13.506  179.548   23.603 -1.172684 27.19404 
1 1 1   15   11    9 o  202.135   11.351   97.157   10.518   92.761   13.486  103.983   16.805  196.844   14.659  207.425   17.335 -10.58122 22.70280 
1 1 1   15   11   10 o  126.291   9.0281   36.632   5.2070   32.009   6.5656   44.470   8.5484  116.051   12.105  136.531   13.397 -20.47967 18.05612 
1 1 1   15   11   11 o  198.744   12.643   95.935   11.710   87.389   16.477  104.657   16.646  189.488   18.606  208.001   17.124 -18.51289 25.28640 
1 1 1   15   11   12 o  236.659   14.546  137.771   16.067  129.643   22.670  145.976   22.775  229.304   21.154  244.014   19.971 -14.71028 29.09175 
1 1 1   15   11   13 o  125.339   15.768   39.120   8.9211   30.063   12.029   50.193   13.300  107.595   24.473  143.083   19.889 -35.48800 31.53571 
1 1 1   15   11   14 o  134.237   15.590   45.454   8.6240   44.617   15.795   45.810   10.294  130.608   26.776  137.866   15.976 -7.257370 31.17994 
1 1 1   15   11   15 o  120.219   14.705   35.286   7.4007   38.029   13.570   34.125   8.8294  121.364   24.763  119.073   15.866 2.290848 29.41017 
1 1 1   15   11   16 o  140.685   21.933   48.848   14.421   0.0000   0.0000   48.848   14.421  ?   ?   140.685   21.933      ?      ? 
1 1 1   15   11   17 o  228.001   29.689  134.060   31.636   0.0000   0.0000  134.060   31.636  ?   ?   228.001   29.689      ?      ? 
1 1 1   15   11   18 o  315.840   26.125  252.610   38.562  252.610   38.562   0.0000   0.0000  315.840   26.125  ?   ?       ?      ? 
1 1 1   15   11   19 o  337.555   28.639  294.704   45.179  294.704   45.179   0.0000   0.0000  337.555   28.639  ?   ?       ?      ? 
1 1 1   15   11   20 o   93.920   12.935   22.546   5.4836   17.205   8.0903   27.085   7.4581   81.823   21.039  106.016   15.053 -24.19283 25.86941 
1 1 1   15   11   21 o  141.055   11.658   48.399   7.6502   54.201   10.922   42.811   10.719  149.642   15.617  132.468   17.315 17.17418 23.31701 
1 1 1   15   11   22 f  213.739   13.139  112.434   13.112  107.263   18.593  117.549   18.493  208.560   19.075  218.918   18.075 -10.35754 26.27867 
1 1 1   15   11   23 o  174.203   15.381   77.187   11.684   72.139   20.076   79.773   14.367  167.558   25.638  180.849   16.999 -13.29126 30.76108 
1 1 1   15   11   24 o  126.629   11.990   39.084   7.0895   38.614   10.197   39.523   9.8631  125.771   17.348  127.486   16.554 -1.714638 23.97937 
1 1 1   15   11   25 o   53.155   13.524   5.9371   4.3265   7.6391   6.2176   4.3394   6.0243   57.208   19.453   49.103   18.792 8.105755 27.04753 
1 1 1   15   11   26 o   63.449   13.807   10.069   4.6310   6.7527   6.9570   12.707   6.2057   56.229   20.451   70.669   18.553 -14.44015 27.61323 
1 1 1   15   11   27 o  154.804   12.083   58.452   8.7326   56.103   12.430   60.741   12.271  151.555   17.549  158.052   16.612 -6.496475 24.16514 
1 1 1   15   11   28 o  129.654   15.167   43.190   8.4846   45.138   10.632   39.773   14.078  136.254   16.697  123.055   25.324 13.19843 30.33306 
1 1 1   15   11   29 o   91.857   15.505   22.887   6.7019   27.261   8.4628   15.532   10.976  105.604   17.147   78.111   25.838 27.49346 31.01003 
1 1 1   15   11   30 o   82.241   14.480   18.584   5.9141   24.013   7.5010   9.6653   9.6147   99.072   16.200   65.410   24.004 33.66224 28.95951 
1 1 1   15   11   31 o  104.493   24.143   29.087   11.553   0.0000   0.0000   29.087   11.553  ?   ?   104.493   24.143      ?      ? 
1 1 1   15   11   32 o   70.689   24.160   12.343   9.5908   0.0000   0.0000   12.343   9.5908  ?   ?    70.689   24.160      ?      ? 
1 1 1   15   11   33 o   73.015   24.371   13.567   9.7568   0.0000   0.0000   13.567   9.7568  ?   ?    73.015   24.371      ?      ? 
1 1 1   15   11   34 o  287.227   26.503  219.921   35.577   0.0000   0.0000  219.921   35.577  ?   ?   287.227   26.503      ?      ? 
1 1 1   15   11   35 o   97.477   17.580   25.193   7.3369   27.267   14.444   24.472   8.5177   97.827   29.296   97.128   19.443 0.6993561 35.16063 
1 1 1   15   11   36 o   86.791   16.979   19.820   6.8989   17.826   8.5924   23.437   11.574   81.625   22.018   91.957   25.852 -10.33186 33.95761 
1 1 1   15   11   37 o  157.173   11.341   58.592   7.5543   55.251   8.8708   67.406   14.411  151.055   12.566  163.291   18.883 -12.23622 22.68204 
1 1 1   15   11   38 o  192.919   31.778  108.309   28.652  108.309   28.652   0.0000   0.0000  192.919   31.778  ?   ?       ?      ? 
1 1 1   15   11   39 o   96.276   19.494   24.408   8.4706   24.408   8.4706   0.0000   0.0000   96.276   19.494  ?   ?       ?      ? 
1 1 1   15   11   40 o   80.520   23.755   17.961   9.5518   17.961   9.5518   0.0000   0.0000   80.520   23.755  ?   ?       ?      ? 
1 1 1   15   11   41 o   97.411   13.438   19.488   5.4354   13.410   6.2040   39.559   11.275   71.121   18.492  123.700   19.503 -52.57847 26.87602 
1 1 1   15   11   42 o  132.767   18.692   56.160   10.755   68.253   13.446   34.683   17.920  163.066   17.644  102.468   32.959 60.59805 37.38419 
1 1 1   15   11   43 o   86.427   18.504   21.864   7.9695   19.853   10.203   25.009   12.763   82.491   24.604   90.364   27.644 -7.873360 37.00797 
1 1 1   15   11   44 f  117.748   11.589   25.655   5.2455   18.285   5.7980   58.894   12.313   84.205   15.297  151.292   17.414 -67.08689 23.17863 
1 1 1   15   11   45 o   96.646   15.255   23.586   5.8276   21.567   6.5690   31.044   12.627   92.202   15.245  101.090   26.429 -8.888191 30.51063 
1 1 1   15   11   46 f   67.287   15.449   11.997   4.9918   10.713   5.7419   15.971   10.101   62.195   18.436   72.379   24.794 -10.18318 30.89729 
1 1 1   15   11   47 o   48.772   13.085  -8.7039   3.3494 -12.2286   3.5477   20.204   10.160   17.187   8.7108   80.357   24.679 -63.17073 26.17082 
1 1 1   15   11   48 o   88.151   12.918   11.850   4.6911   5.1304   5.1378   45.526   11.502   46.903   17.485  129.399   19.019 -82.49675 25.83515 
1 1 1   15   11   49 o   99.802   12.978   25.486   6.0533   25.486   6.0533   0.0000   0.0000   99.802   12.978  ?   ?       ?      ? 
1 1 1   15   11   50 o   40.328   12.327   1.8280   4.1084   3.7894   4.6085  -5.7672   9.0686   41.673   16.304   38.982   18.494 2.691051 24.65394 
1 1 1   15   11   51 o   46.317   14.119   1.4203   4.1429  -0.4913   4.5124   11.678   10.453   32.531   14.532   60.104   24.211 -27.57282 28.23767 
1 1 1   15   11   52 o   60.807   17.966   9.8793   8.6668   22.722   13.849   1.6125   11.111   73.505   28.399   48.109   22.012 25.39603 35.93136 
1 1 1   15   11   53 o   49.987   15.890   3.4619   8.2143  -6.2893   13.458   9.2517   10.370   44.690   21.552   55.284   23.356 -10.59410 31.78031 
1 1 1   15   11   54 o   35.515   12.058  -3.1273   4.1505  -3.7691   4.5566  -0.0000   10.058   27.558   13.084   43.472   20.258 -15.91460 24.11563 
1 1 1   15   12    0 o  118.172   11.627   34.931   8.5782   34.931   8.5782   34.931   8.5782  118.172   16.442  118.172   16.442 -0.000000 0.000000 
1 1 1   15   12    1 o  181.428   12.533   84.213   9.9412   62.848   15.789   98.245   12.796  159.933   21.124  202.924   13.493 -42.99147 25.06535 
1 1 1   15   12    2 o  128.369   7.8353   39.052   4.6916   35.917   6.5675   42.319   6.7045  123.052   11.420  133.686   10.731 -10.63345 15.67064 
1 1 1   15   12    3 o  207.787   10.165  103.597   9.8263  114.654   13.897   92.541   13.896  219.172   13.567  196.401   15.140 22.77075 20.32907 
1 1 1   15   12    4 o  158.524   8.7850   59.868   6.4927   55.040   9.1685   64.725   9.1957  151.992   12.907  165.057   11.921 -13.06477 17.56998 
1 1 1   15   12    5 o   32.660   8.9165   1.5078   1.9281   2.5550   2.9755   0.7499   2.5315   36.383   13.353   28.937   11.820 7.445353 17.83297 
1 1 1   15   12    6 o  158.742   9.6706   60.211   6.9900   60.199   8.9388   60.230   11.215  159.120   12.020  158.363   15.153 0.7574768 19.34122 
1 1 1   15   12    7 o  142.847   9.3447   47.010   6.1146   40.446   7.7623   57.742   9.9260  130.269   12.750  155.425   13.665 -25.15594 18.68938 
1 1 1   15   12    8 o  254.206   13.457  155.223   15.736  144.098   20.254  172.163   24.995  243.592   17.791  264.820   20.195 -21.22792 26.91454 
1 1 1   15   12    9 o  219.348   12.734  118.040   12.664  121.901   16.245  112.060   20.218  225.088   15.443  213.608   20.253 11.47972 25.46879 
1 1 1   15   12   10 o  204.477   13.151  101.927   12.561  104.728   17.664   99.062   17.865  207.492   18.216  201.463   18.974 6.028656 26.30268 
1 1 1   15   12   11 o  230.272   18.567  136.396   18.571  127.329   32.072  140.970   22.779  220.863   31.072  239.682   20.336 -18.81834 37.13454 
1 1 1   15   12   12 o  424.239   32.081  492.413   61.108  644.333  105.826  416.421   74.846  463.880   48.814  384.598   41.641 79.28281 64.16225 
1 1 1   15   12   13 o  257.283   32.987  174.329   39.664  174.329   39.664   0.0000   0.0000  257.283   32.987  ?   ?       ?      ? 
1 1 1   15   12   14 o  230.951   20.824  137.216   22.448  146.404   32.165  128.492   31.344  238.945   28.804  222.957   30.081 15.98817 41.64764 
1 1 1   15   12   15 o  149.118   13.493   53.330   9.0810   50.814   11.340   57.827   15.162  145.028   16.731  153.209   21.175 -8.180359 26.98698 
1 1 1   15   12   16 f  257.512   24.613  179.615   29.199  149.505   41.337  209.598   41.250  232.505   38.042  282.518   31.242 -50.01277 49.22662 
1 1 1   15   12   17 o  192.230   16.595   95.995   13.752   82.601   23.487  102.983   16.964  178.779   28.110  205.680   17.648 -26.90007 33.19082 
1 1 1   15   12   18 o  179.073   12.608   78.351   10.541   75.103   14.980   81.537   14.836  175.190   18.296  182.956   17.352 -7.766037 25.21564 
1 1 1   15   12   19 o   90.300   12.454   20.218   5.1450   23.718   7.4629   17.047   7.1026   98.852   16.154   81.747   18.959 17.10452 24.90773 
1 1 1   15   12   20 o  136.410   11.480   45.409   7.2810   40.882   10.396   49.767   10.200  129.389   17.192  143.430   15.217 -14.04128 22.95946 
1 1 1   15   12   21 o  205.530   13.679  104.815   13.004   88.198   18.349  121.583   18.432  188.178   20.864  222.882   17.695 -34.70419 27.35745 
1 1 1   15   12   22 o  157.517   12.822   61.786   9.1200   80.038   12.981   43.996   12.816  181.952   15.265  133.083   20.605 48.86870 25.64407 
1 1 1   15   12   23 o  131.650   14.446   42.927   8.2152   45.312   14.128   41.708   10.098  132.307   23.720  130.992   16.495 1.315079 28.89124 
1 1 1   15   12   24 o  183.027   12.643   82.003   10.813   83.811   15.323   80.210   15.260  185.115   17.711  180.940   18.046 4.174850 25.28537 
1 1 1   15   12   25 o  111.984   12.042   30.542   6.2969   30.960   9.1208   30.162   8.7042  112.634   17.327  111.334   16.729 1.300392 24.08452 
1 1 1   15   12   26 o  184.227   15.186   81.541   12.594   73.820   15.550   96.258   21.469  173.169   19.214  195.286   23.523 -22.11641 30.37295 
1 1 1   15   12   27 o  115.685   15.048   33.978   7.5112   34.151   9.2530   33.644   12.862  118.432   16.718  112.939   25.026 5.492775 30.09614 
1 1 1   15   12   28 o  110.472   15.360   31.206   7.3976   31.002   9.1323   31.595   12.616  112.318   17.397  108.626   25.319 3.692795 30.72024 
1 1 1   15   12   29 o  230.120   26.126  155.813   26.917  129.989   38.465  180.594   37.680  204.388   41.681  255.852   31.512 -51.46486 52.25285 
1 1 1   15   12   30 o  111.652   16.504   29.988   7.4905   39.463   14.957   26.816   8.6540  120.578   27.190  102.726   18.715 17.85160 33.00843 
1 1 1   15   12   32 o  109.286   26.543   32.710   13.422   0.0000   0.0000   32.710   13.422  ?   ?   109.286   26.543      ?      ? 
1 1 1   15   12   33 o  143.674   18.841   62.823   11.230   76.694   13.919   36.958   19.007  176.090   16.914  111.258   33.672 64.83202 37.68132 
1 1 1   15   12   34 o   66.840   16.104   11.294   6.0816   13.064   7.9464   8.7926   9.4489   70.690   21.845   62.991   23.667 7.699501 32.20730 
1 1 1   15   12   35 o  237.208   30.085  186.150   31.699  138.516   45.127  232.548   44.538  192.754   49.755  281.661   33.834 -88.90691 60.16944 
1 1 1   15   12   36 o  179.556   15.799   76.412   12.386  107.616   23.082   63.792   14.679  200.972   24.575  158.141   19.861 42.83070 31.59724 
1 1 1   15   12   37 o   76.217   18.474   16.003   8.4471   5.7849   14.798   20.942   10.288   65.463   27.792   86.970   24.347 -21.50709 36.94797 
1 1 1   15   12   38 o  111.495   15.469   31.148   7.7803   22.379   9.8540   45.665   12.678   90.143   23.241  132.847   20.420 -42.70409 30.93777 
1 1 1   15   12   39 o  154.762   10.824   57.723   7.8286   57.723   7.8286   0.0000   0.0000  154.762   10.824  ?   ?       ?      ? 
1 1 1   15   12   40 o   75.273   14.352   9.8215   4.0488   7.0013   4.3716   26.828   10.735   52.536   16.197   98.010   23.698 -45.47358 28.70435 
1 1 1   15   12   41 o  133.866   21.122   54.584   12.893   63.230   18.958   47.143   17.587  145.053   28.979  122.680   30.737 22.37289 42.24412 
1 1 1   15   12   42 o   44.446   13.108   2.7355   3.5007   2.8732   3.7863   1.9251   9.1869   38.887   14.894   50.005   21.574 -11.11742 26.21640 
1 1 1   15   12   43 o   64.628   16.935   10.769   6.6776   11.334   8.3194   9.7452   11.196   65.018   22.489   64.237   25.326 0.7808228 33.86967 
1 1 1   15   12   44 o   59.380   16.594   7.9664   6.9694   10.825   8.9070   3.4520   11.192   63.687   23.144   55.074   23.787 8.613552 33.18882 
1 1 1   15   12   45 o   56.531   16.427   6.8065   6.9799   8.1269   9.1769   4.9941   10.751   57.878   22.894   55.184   23.564 2.694016 32.85422 
1 1 1   15   12   46 o   61.576   15.221   7.1797   4.3010   4.8259   4.7036   19.193   10.626   45.375   16.767   77.778   25.409 -32.40264 30.44203 
1 1 1   15   12   47 o   78.342   13.456   8.8862   4.6170   2.6012   5.0910   37.999   10.957   41.057   16.765  115.626   21.052 -74.56882 26.91227 
1 1 1   15   12   48 o   40.860   12.813   0.9862   3.8294   0.8694   4.2069   1.5508   9.2485   34.517   14.740   47.202   20.964 -12.68479 25.62692 
1 1 1   15   12   49 o   30.749   10.198  -2.9052   3.4800   0.2217   3.7284 -24.0595   9.6976   31.359   13.636   30.139   15.168 1.220026 20.39694 
1 1 1   15   12   50 o   50.123   14.020   1.3655   3.8198  -1.4350   4.1387   17.467   9.9238   29.749   13.543   70.496   24.552 -40.74638 28.03971 
1 1 1   15   12   51 o   50.446   14.235   6.4071   4.2641   6.2953   4.6728   6.9633   10.425   47.721   16.832   53.170   22.961 -5.449184 28.47012 
1 1 1   15   12   52 o   42.194   13.331   1.7742   4.1915   1.4839   4.5848   3.2523   10.344   36.010   15.383   48.378   21.777 -12.36850 26.66195 
1 1 1   15   12   53 o   43.511   13.568   3.1329   4.4450   2.8532   4.9150   4.3890   10.416   38.857   16.226   48.164   21.750 -9.307034 27.13612 
1 1 1   15   13    0 o  169.518   11.993   70.286   13.129   70.286   13.129   70.286   13.129  169.518   16.961  169.518   16.961 -0.000000 0.000000 
1 1 1   15   13    1 o  172.749   11.481   75.296   8.7641   59.103   13.898   85.987   11.292  155.561   19.116  189.936   12.722 -34.37497 22.96209 
1 1 1   15   13    2 o  143.322   9.5308   49.497   6.2553   46.759   9.7161   51.436   8.1749  139.559   14.897  147.085   11.892 -7.526245 19.06164 
1 1 1   15   13    3 o   98.199   8.1312   22.922   3.7249   21.295   5.2569   24.562   5.2787   94.643   11.885  101.756   11.100 -7.112358 16.26243 
1 1 1   15   13    4 o  103.571   7.8558   25.446   3.8023   25.653   5.3657   25.237   5.3888  104.004   11.039  103.138   11.180 0.8660278 15.71152 
1 1 1   15   13    5 o  135.278   9.7892   46.517   5.7714   33.630   9.1337   55.084   7.4464  118.024   16.559  152.531   10.446 -34.50677 19.57841 
1 1 1   15   13    6 o  129.159   8.6753   38.900   5.1671   44.500   8.1565   35.146   6.6779  136.676   12.769  121.642   11.747 15.03378 17.35055 
1 1 1   15   13    7 o  195.294   12.314   92.416   11.223   97.348   15.801   87.394   15.943  200.779   16.839  189.810   17.973 10.96878 24.62890 
1 1 1   15   13    8 o  200.216   12.823   97.809   11.828   78.769   16.573  117.577   16.887  179.549   19.750  220.883   16.358 -41.33351 25.64520 
1 1 1   15   13    9 o  130.424   12.789   39.870   7.3274   37.343   8.8383   45.425   13.104  124.753   15.159  136.095   20.602 -11.34178 25.57820 
1 1 1   15   13   10 o  265.850   19.061  172.955   22.573  159.220   27.586  200.784   39.267  253.072   23.324  278.628   30.155 -25.55661 38.12244 
1 1 1   15   13   11 o  164.093   16.419   66.944   12.585   70.133   18.026   63.912   17.578  168.016   22.956  160.171   23.482 7.845810 32.83859 
1 1 1   15   13   12 o  140.519   15.526   47.522   10.196   47.522   10.196   0.0000   0.0000  140.519   15.526  ?   ?       ?      ? 
1 1 1   15   13   13 o  117.686   14.690   39.239   7.1835   50.123   9.1217   21.466   11.656  144.767   13.482   90.606   26.103 54.16097 29.37950 
1 1 1   15   13   14 o  160.893   12.298   63.981   9.0237   49.013   12.866   78.471   12.659  141.255   19.490  180.531   15.004 -39.27693 24.59622 
1 1 1   15   13   15 o  177.383   14.672   75.153   11.656   88.079   20.090   68.594   14.311  187.330   22.947  167.436   18.288 19.89342 29.34347 
1 1 1   15   13   16 f  155.607   14.050   59.954   9.6349   59.543   16.546   60.165   11.851  153.735   23.029  157.480   16.103 -3.744614 28.10049 
1 1 1   15   13   17 o  166.625   12.059   67.782   9.3823   66.219   13.449   69.264   13.095  164.572   17.486  168.678   16.611 -4.105911 24.11864 
1 1 1   15   13   18 o  207.274   13.282  105.928   12.835   97.896   18.152  113.958   18.151  198.983   19.520  215.565   18.017 -16.58229 26.56360 
1 1 1   15   13   19 o   85.520   14.361   18.278   5.6049   15.314   7.2744   22.609   8.7928   77.244   19.995   93.797   20.620 -16.55247 28.72283 
1 1 1   15   13   20 o  199.900   13.671   98.601   12.759   93.851   18.061  103.333   18.026  194.815   19.837  204.986   18.816 -10.17021 27.34118 
1 1 1   15   13   21 o  131.259   11.977   42.015   7.3279   38.509   10.331   45.564   10.396  125.525   17.611  136.993   16.237 -11.46767 23.95385 
1 1 1   15   13   22 o  326.332   21.795  260.326   31.811  199.394   38.868  383.963   55.366  273.934   30.360  378.730   31.280 -104.7955 43.59093 
1 1 1   15   13   23 o  153.938   14.307   57.264   9.9339   53.382   12.352   64.371   16.714  147.693   17.896  160.184   22.326 -12.49118 28.61325 
1 1 1   15   13   24 o  220.783   16.629  114.346   16.523   90.517   20.334  160.672   28.352  189.720   22.933  251.847   24.088 -62.12675 33.25884 
1 1 1   15   13   25 o  139.391   15.460   50.696   9.1838   54.443   11.498   44.093   15.263  149.656   16.440  129.125   26.187 20.53183 30.91990 
1 1 1   15   13   26 o  197.226   29.461  104.024   27.155  104.024   27.155   0.0000   0.0000  197.226   29.461  ?   ?       ?      ? 
1 1 1   15   13   27 o   99.478   28.652   27.442   14.045   27.442   14.045   0.0000   0.0000   99.478   28.652  ?   ?       ?      ? 
1 1 1   15   13   28 o  122.165   18.784   40.703   10.694   29.314   15.432   51.222   14.832  102.375   30.193  141.955   22.356 -39.58041 37.56846 
1 1 1   15   13   29 o   64.269   25.402   7.4894   11.290   7.4894   11.290   0.0000   0.0000   64.269   25.402  ?   ?       ?      ? 
1 1 1   15   13   30 o  105.597   28.386   30.938   14.311   30.938   14.311   0.0000   0.0000  105.597   28.386  ?   ?       ?      ? 
1 1 1   15   13   31 o  221.050   23.402  139.705   23.360  120.453   32.958  159.141   33.115  201.010   36.425  241.090   29.390 -40.07999 46.80323 
1 1 1   15   13   32 o   48.758   14.249   2.7139   5.0575   2.9360   8.6912   2.6002   6.2189   51.986   21.632   45.530   18.553 6.455956 28.49835 
1 1 1   15   13   33 o   79.644   14.287   16.268   5.5121   23.636   8.2156   10.237   7.4335   95.479   19.079   63.810   21.271 31.66861 28.57403 
1 1 1   15   13   34 o  123.134   18.536   39.499   10.548   58.939   16.771   26.777   13.567  149.378   24.024   96.890   28.234 52.48781 37.07167 
1 1 1   15   13   35 o  135.895   19.768   51.445   11.997   57.556   18.735   47.197   15.621  141.687   29.262  130.104   26.588 11.58311 39.53677 
1 1 1   15   13   36 o  108.924   17.953   30.574   9.0486   49.666   14.861   19.326   11.407  134.767   24.497   83.081   26.251 51.68627 35.90564 
1 1 1   15   13   37 f  142.412   20.078   58.558   12.955   53.071   19.571   62.838   17.284  132.077   32.035  152.746   24.211 -20.66876 40.15501 
1 1 1   15   13   38 o   96.499   14.629   24.883   6.3142   25.389   9.8852   24.534   8.2066   96.341   22.382   96.656   18.844 -0.3151474 29.25852 
1 1 1   15   13   39 o  139.546   10.688   49.779   6.7316   55.914   8.8708   41.451   10.336  151.298   12.545  127.794   17.306 23.50476 21.37516 
1 1 1   15   13   40 o   95.778   18.135   25.562   8.0742   20.852   10.093   33.935   13.457   84.980   24.230  106.576   26.989 -21.59595 36.27013 
1 1 1   15   13   41 o   72.445   15.474   13.400   4.6220   12.935   5.0250   15.955   11.780   70.343   15.685   74.547   26.679 -4.204323 30.94770 
1 1 1   15   13   42 o   73.974   13.980   9.7301   4.1037   6.3317   4.4917   26.891   10.093   50.199   16.525   97.749   22.554 -47.55016 27.95979 
1 1 1   15   13   43 o   51.301   14.375   4.9351   3.9323   4.6901   4.2420   6.4308   10.483   44.810   16.013   57.791   23.878 -12.98130 28.75013 
1 1 1   15   13   44 o  116.316   18.409   41.516   9.4927   39.917   11.931   44.274   15.669  116.987   22.641  115.646   29.035 1.341370 36.81879 
1 1 1   15   13   45 o   99.897   20.268   34.417   10.458   24.515   15.127   43.484   14.475   83.136   30.170  116.657   27.072 -33.52122 40.53521 
1 1 1   15   13   46 o   87.082   14.394   15.301   4.9749   10.130   5.5227   37.558   11.457   60.575   18.109  113.589   22.378 -53.01466 28.78796 
1 1 1   15   13   47 o   76.857   24.166   19.210   9.6779   19.210   9.6779   0.0000   0.0000   76.857   24.166  ?   ?       ?      ? 
1 1 1   15   13   48 o   68.893   16.038   13.254   5.0672   13.254   5.0672   0.0000   0.0000   68.893   16.038  ?   ?       ?      ? 
1 1 1   15   13   49 o   47.248   13.050   5.6986   4.3192   7.9334   4.7380  -5.2934   10.508   52.706   16.947   41.791   19.849 10.91519 26.09956 
1 1 1   15   13   50 o   63.828   17.594   14.459   7.5485   14.464   10.045   14.452   11.441   64.165   24.335   63.491   25.416 0.6735001 35.18778 
1 1 1   15   13   51 o   35.357   11.724  -3.1367   3.5810  -4.5518   3.9581   3.2474   8.4068   24.715   11.859   46.000   20.228 -21.28475 23.44772 
1 1 1   15   13   52 o   54.407   14.532   9.7287   4.8825   10.505   5.4502   6.5737   10.987   57.883   18.125   50.930   22.720 6.952885 29.06353 
1 1 1   15   14    0 o   52.709   18.123   9.8925   7.4099   9.8925   7.4099   9.8925   7.4099   52.709   25.630   52.709   25.630 -0.000000 0.000000 
1 1 1   15   14    1 o  180.515   13.898   76.968   11.191   88.607   19.418   71.180   13.693  189.426   21.934  171.605   17.074 17.82155 27.79586 
1 1 1   15   14    2 o  117.067   9.2621   32.686   5.0654   33.227   7.1039   32.127   7.2247  118.093   12.872  116.042   13.322 2.051247 18.52421 
1 1 1   15   14    3 o  191.397   13.124   85.657   10.267   96.469   20.682   82.121   11.827  197.370   22.422  185.424   13.648 11.94641 26.24864 
1 1 1   15   14    4 o  368.261   29.019  369.852   47.472  345.123   58.194  419.045   82.077  359.283   34.657  377.240   46.554 -17.95651 58.03835 
1 1 1   15   14    5 o  160.409   10.218   61.725   7.6407   66.940   10.840   56.576   10.771  167.309   13.863  153.510   15.014 13.79884 20.43558 
1 1 1   15   14    6 o  256.290   15.745  163.301   18.770  146.079   26.549  180.513   26.542  241.914   23.482  270.667   20.982 -28.75223 31.49092 
1 1 1   15   14    7 o  250.197   16.317  149.673   16.668  143.050   19.202  169.912   33.569  243.083   16.902  257.312   27.915 -14.22839 32.63334 
1 1 1   15   14    8 o  205.944   13.578   95.231   11.579   86.226   13.302  123.390   23.521  189.344   15.032  222.544   22.615 -33.20003 27.15566 
1 1 1   15   14    9 o  222.971   16.154  122.272   14.512  120.345   16.723  128.147   29.204  223.148   16.035  222.794   28.048 0.3539581 32.30788 
1 1 1   15   14   10 o  255.124   17.980  156.857   20.561  136.600   25.150  197.680   35.703  233.448   23.052  276.799   27.599 -43.35060 35.96016 
1 1 1   15   14   11 o  200.904   12.927   98.783   12.129   94.409   17.106  103.206   17.201  196.245   18.651  205.562   17.904 -9.316910 25.85392 
1 1 1   15   14   12 o  151.981   13.391   55.079   9.1296   50.937   11.252   63.060   15.619  144.741   16.634  159.222   20.990 -14.48065 26.78161 
1 1 1   15   14   13 o  156.112   12.014   59.978   8.6641   51.354   12.486   67.985   12.032  144.591   18.478  167.632   15.358 -23.04089 24.02710 
1 1 1   15   14   14 o   97.533   10.983   22.822   4.8376   28.474   7.4502   18.701   6.3609  108.621   14.676   86.445   16.344 22.17563 21.96581 
1 1 1   15   14   15 o   65.943   14.290   10.945   4.6689   9.8683   8.2448   11.454   5.6647   64.681   22.387   67.206   17.766 -2.525162 28.58000 
1 1 1   15   14   16 o  135.315   17.069   55.028   9.3113   28.410   15.987   68.694   11.455  101.821   30.895  168.809   14.519 -66.98855 34.13705 
1 1 1   15   14   17 o   74.531   13.436   14.095   4.8313   19.001   6.9303   9.4567   6.7388   86.774   17.689   62.288   20.229 24.48561 26.87199 
1 1 1   15   14   18 o  152.612   14.304   55.634   9.7858   50.737   12.027   65.225   16.833  143.992   17.872  161.231   22.339 -17.23920 28.60853 
1 1 1   15   14   19 o  161.398   14.597   62.219   10.440   57.188   12.674   72.834   18.411  152.906   17.736  169.890   23.189 -16.98326 29.19362 
1 1 1   15   14   20 o  198.945   19.529  109.131   15.769  119.752   19.294   87.763   27.366  220.719   18.704  177.172   34.289 43.54720 39.05874 
1 1 1   15   14   21 o  111.644   16.865   30.341   8.7997   30.341   8.7997   0.0000   0.0000  111.644   16.865  ?   ?       ?      ? 
1 1 1   15   14   22 o  210.559   21.080  110.269   20.743  110.269   20.743   0.0000   0.0000  210.559   21.080  ?   ?       ?      ? 
1 1 1   15   14   23 o  239.672   21.225  143.363   23.775  143.363   23.775   0.0000   0.0000  239.672   21.225  ?   ?       ?      ? 
1 1 1   15   14   24 o  203.828   30.006  111.817   28.583  111.817   28.583   0.0000   0.0000  203.828   30.006  ?   ?       ?      ? 
1 1 1   15   14   25 o  184.288   21.858   94.818   17.989   75.521   25.704  113.341   25.183  160.656   35.207  207.920   25.916 -47.26404 43.71674 
1 1 1   15   14   26 o  227.279   22.937  143.016   24.339  150.921   34.736  135.392   34.113  234.208   31.735  220.350   33.125 13.85788 45.87370 
1 1 1   15   14   27 o  212.702   21.281  122.565   19.988  158.700   29.094   90.266   27.507  247.568   25.146  177.836   34.339 69.73177 42.56176 
1 1 1   15   14   28 o  171.497   20.554   80.154   15.963   75.032   23.471   84.562   21.775  163.282   31.902  179.712   25.926 -16.42982 41.10835 
1 1 1   15   14   29 o  135.075   12.456   45.573   7.7785   38.993   11.139   51.835   10.867  124.805   19.097  145.346   15.998 -20.54090 24.91248 
1 1 1   15   14   30 o   83.641   13.910   14.839   6.0394   33.366   10.030   4.3006   7.5644  115.442   18.590   51.840   20.696 63.60200 27.81994 
1 1 1   15   14   31 o   77.955   14.862   13.941   5.7204   25.885   9.5706   7.3028   7.1351   98.974   21.320   56.936   20.711 42.03759 29.72389 
1 1 1   15   14   32 o  132.167   18.326   49.155   9.7015   43.693   18.775   51.145   11.332  120.882   32.521  143.452   16.902 -22.57005 36.65123 
1 1 1   15   14   33 o  105.983   18.043   31.715   8.2191   27.921   16.263   33.016   9.5250   97.218   31.412  114.748   17.761 -17.53024 36.08544 
1 1 1   15   14   34 o  147.909   20.382   62.208   13.479   65.077   20.538   60.037   17.865  149.398   30.448  146.419   27.106 2.978729 40.76484 
1 1 1   15   14   35 o  139.007   16.069   52.128   9.6546   53.887   12.130   49.088   15.948  146.093   17.766  131.920   26.781 14.17328 32.13835 
1 1 1   15   14   36 o   77.397   15.738   15.819   6.5840   24.923   9.3780   6.9691   9.2459   96.089   21.429   58.705   23.056 37.38417 31.47644 
1 1 1   15   14   37 o   71.817   18.300   12.994   7.4640   16.190   13.149   11.474   9.0663   76.978   28.098   66.655   23.453 10.32343 36.59991 
1 1 1   15   14   38 o   99.835   16.324   34.345   8.5701   5.0930   16.311   45.500   10.073   65.229   28.441  134.442   16.031 -69.21312 32.64793 
1 1 1   15   14   39 o  128.333   13.499   43.009   8.0565   45.230   12.103   41.241   10.796  130.760   19.805  125.906   18.347 4.853371 26.99749 
1 1 1   15   14   40 f   57.742   16.481   6.4468   7.1017   10.278   8.4303  -2.9180   13.180   62.896   22.563   52.589   24.029 10.30705 32.96144 
1 1 1   15   14   41 o   50.202   14.777   4.2546   3.9808   4.6243   4.1718   0.4914   13.310   44.683   15.889   55.720   24.920 -11.03745 29.55453 
1 1 1   15   14   42 o   43.515   13.422   2.2388   3.5409   2.8044   3.7119  -3.4776   11.801   38.287   14.728   48.743   22.443 -10.45652 26.84381 
1 1 1   15   14   43 o   56.728   14.278   7.5686   3.9618   6.7844   4.3846   11.057   9.2473   50.712   16.302   62.743   23.445 -12.03140 28.55517 
1 1 1   15   14   44 o   69.452   14.904   13.102   7.1685   25.708   9.0909  -7.6216   11.656   94.494   21.117   44.410   21.039 50.08387 29.80875 
1 1 1   15   14   45 o   57.996   16.958   7.1996   7.2802   9.8010   11.904   5.6453   9.2016   62.288   25.558   53.704   22.295 8.584583 33.91590 
1 1 1   15   14   46 o   40.231   15.607   3.4144   4.1955   3.4144   4.1955   0.0000   0.0000   40.231   15.607  ?   ?       ?      ? 
1 1 1   15   14   47 o   43.068   12.761   3.3892   3.6317   3.8423   3.9677   1.0491   9.0172   40.672   15.326   45.463   20.410 -4.790707 25.52297 
1 1 1   15   14   48 o   50.945   14.424   4.8798   3.8152   3.6449   4.1043   12.729   10.348   40.119   15.471   61.770   24.349 -21.65138 28.84861 
1 1 1   15   14   49 o   55.499   16.232   8.9529   7.0075   11.380   9.0718   5.3620   11.034   59.186   22.952   51.811   22.960 7.374897 32.46442 
1 1 1   15   14   50 o   40.743   12.669   1.5495   3.8187   0.8523   4.2696   4.3375   8.5373   33.926   14.672   47.561   20.658 -13.63572 25.33862 
1 1 1   15   14   51 o   49.104   13.745   7.0683   4.4015   7.8933   4.8578   3.2846   10.403   51.129   17.196   47.079   21.447 4.050373 27.48975 
1 1 1   15   15    1 o  132.820   14.576   42.447   9.0479   42.447   9.0479   0.0000   0.0000  132.820   14.576  ?   ?       ?      ? 
1 1 1   15   15    2 o  112.988   14.171   30.672   7.4830   30.672   7.4830   0.0000   0.0000  112.988   14.171  ?   ?       ?      ? 
1 1 1   15   15    3 o  151.695   14.596   60.834   9.1436   67.667   11.327   48.049   15.492  167.713   14.451  135.677   25.365 32.03595 29.19297 
1 1 1   15   15    4 o   85.215   11.959   17.046   4.6219   11.929   5.9163   25.059   7.4037   68.620   18.164  101.810   15.560 -33.19041 23.91745 
1 1 1   15   15    5 o  189.625   15.294   86.451   13.056   78.187   16.122  102.195   22.253  178.139   19.365  201.110   23.676 -22.97084 30.58710 
1 1 1   15   15    6 o  225.766   12.752  124.801   13.454  126.609   19.090  123.017   18.965  227.432   17.960  224.099   18.108 3.333359 25.50408 
1 1 1   15   15    7 o  224.463   11.826  120.983   12.180  131.330   19.444  114.302   15.626  231.561   17.967  217.365   15.382 14.19543 23.65224 
1 1 1   15   15    8 o   52.120   12.333   5.3608   3.1478   4.1750   3.6148   9.0809   6.4027   43.222   14.831   61.017   19.708 -17.79509 24.66565 
1 1 1   15   15    9 o  107.817   10.962   25.987   4.9715   23.462   5.7622   33.339   9.8335   99.042   12.449  116.592   18.047 -17.55015 21.92379 
1 1 1   15   15   10 o  117.074   12.313   31.783   6.5063   27.247   8.0286   40.461   11.105  105.876   16.225  128.272   18.524 -22.39590 24.62547 
1 1 1   15   15   11 o  202.279   15.122   97.051   13.696   85.230   16.736  121.013   23.828  185.822   19.271  218.737   23.309 -32.91495 30.24424 
1 1 1   15   15   12 o  111.739   13.204   28.765   6.4939   23.149   7.9313   40.186   11.311   95.729   18.396  127.750   18.945 -32.02100 26.40710 
1 1 1   15   15   13 o   77.657   13.844   12.250   4.9779   6.5264   5.9118   26.197   9.2278   53.991   18.942  101.323   20.196 -47.33190 27.68876 
1 1 1   15   15   14 o  129.953   17.016   43.862   9.9532   43.092   14.011   44.647   14.142  128.714   24.180  131.192   23.947 -2.477310 34.03131 
1 1 1   15   15   15 o  236.095   22.586  150.100   24.827  163.344   35.124  136.878   35.096  248.074   30.296  224.116   33.508 23.95792 45.17292 
1 1 1   15   15   16 o  199.845   17.820  106.038   15.247  114.344   18.776   89.955   26.127  215.713   18.625  183.977   30.386 31.73592 35.63987 
1 1 1   15   15   17 o  286.899   22.897  220.129   28.855  216.208   35.357  227.948   49.929  289.880   26.098  283.918   37.629 5.961945 45.79328 
1 1 1   15   15   18 o  181.960   14.631   76.756   11.879   64.933   14.416  101.755   20.964  162.451   18.989  201.469   22.265 -39.01857 29.26260 
1 1 1   15   15   19 o  259.925   23.008  169.976   27.949  169.976   27.949   0.0000   0.0000  259.925   23.008  ?   ?       ?      ? 
1 1 1   15   15   20 o  165.455   17.644   75.849   11.874   87.058   14.742   55.146   20.036  189.168   16.675  141.742   31.100 47.42575 35.28863 
1 1 1   15   15   21 o  168.917   16.025   72.852   11.813   74.459   14.496   69.674   20.382  174.163   17.809  163.671   26.646 10.49155 32.04962 
1 1 1   15   15   22 o  131.249   18.052   45.379   10.776   65.428   15.960   28.584   14.607  161.059   21.204  101.440   29.221 59.61917 36.10342 
1 1 1   15   15   23 o  176.872   23.110   93.533   18.214   46.500   26.094  138.225   25.436  121.861   39.817  231.884   23.471 -110.0232 46.21992 
1 1 1   15   15   24 o  224.635   22.566  138.779   23.671  137.804   34.028  139.693   32.950  223.096   32.636  226.173   31.172 -3.077209 45.13105 
1 1 1   15   15   25 o   99.041   18.858   27.623   9.1266   19.523   14.582   32.840   11.702   86.222   29.777  111.860   23.147 -25.63876 37.71548 
1 1 1   15   15   26 o  179.657   15.120   78.448   12.294   69.503   15.268   94.939   20.731  166.775   19.589  192.539   23.038 -25.76411 30.24089 
1 1 1   15   15   27 f   78.901   14.095   16.251   5.2011   16.820   7.3340   15.676   7.3770   80.353   19.685   77.449   20.178 2.903679 28.18965 
1 1 1   15   15   28 o  111.639   15.332   30.242   7.6813   21.897   9.6314   44.827   12.733   90.416   22.798  132.862   20.506 -42.44598 30.66321 
1 1 1   15   15   29 o  137.825   12.632   47.459   8.1226   46.661   11.768   48.185   11.225  136.420   18.458  139.230   17.251 -2.810104 25.26468 
1 1 1   15   15   30 o  130.730   16.682   42.394   10.192   0.0000   0.0000   42.394   10.192  ?   ?   130.730   16.682      ?      ? 
1 1 1   15   15   31 o   45.351   19.031   1.7219   6.8109   0.0000   0.0000   1.7219   6.8109  ?   ?    45.351   19.031      ?      ? 
1 1 1   15   15   32 o   38.476   13.199 -11.4362   6.3878 -13.8523   12.323 -10.5484   7.4697   43.817   20.999   33.134   15.999 10.68288 26.39896 
1 1 1   15   15   33 o   61.550   14.672   8.9504   5.7023   15.075   7.4006   0.0003   8.9459   75.111   20.507   47.989   20.990 27.12196 29.34422 
1 1 1   15   15   34 o   72.420   16.657   14.064   6.4359   13.386   8.6696   14.897   9.6058   70.750   22.942   74.089   24.156 -3.339142 33.31422 
1 1 1   15   15   35 o  139.187   12.922   48.773   8.3558   56.113   12.606   43.021   11.160  148.487   18.165  129.887   18.384 18.59981 25.84476 
1 1 1   15   15   36 o  174.327   14.850   80.662   11.857   64.593   16.848   96.432   16.691  154.688   23.305  193.966   18.412 -39.27811 29.70099 
1 1 1   15   15   37 o   62.735   15.249   8.9266   5.6244   16.323   8.8373   3.8908   7.2919   76.130   22.942   49.340   20.096 26.79019 30.49893 
1 1 1   15   15   38 f   46.740   13.961   2.3169   5.2122   1.2040   8.0837   3.1088   6.8189   46.673   20.187   46.807   19.291 -0.1336899 27.92239 
1 1 1   15   15   39 o   92.045   17.601   25.093   7.5287   22.968   13.407   26.071   9.0989   86.448   28.555   97.643   20.587 -11.19503 35.20240 
1 1 1   15   15   40 o  118.985   13.804   37.829   7.4805   42.317   10.832   33.738   10.343  127.184   18.223  110.785   20.739 16.39871 27.60790 
1 1 1   15   15   41 o   68.730   14.235   14.899   4.7975   16.788   5.1133   1.0025   13.868   81.766   13.381   55.695   25.129 26.07159 28.46916 
1 1 1   15   15   42 o   51.458   16.004   0.4081   6.8244  -3.5800   8.1022   10.147   12.661   39.862   18.439   63.055   26.163 -23.19297 32.00765 
1 1 1   15   15   43 o   50.737   15.073   4.1093   4.1312   3.8782   4.3610   6.1308   12.898   42.421   16.047   59.053   25.521 -16.63268 30.14668 
1 1 1   15   15   44 o   70.694   26.853   15.946   12.243   15.946   12.243   0.0000   0.0000   70.694   26.853  ?   ?       ?      ? 
1 1 1   15   15   45 o   61.606   17.656   9.7987   8.7159   19.309   11.942  -1.0420   12.750   73.635   26.793   49.576   23.003 24.05914 35.31279 
1 1 1   15   15   46 o   51.890   14.475   5.0448   4.1804   3.2286   4.6240   13.171   9.7808   40.327   16.153   63.453   24.026 -23.12645 28.95070 
1 1 1   15   15   47 o   33.120   11.344  -2.7293   3.1013  -2.7372   3.2796  -2.6626   9.5365   24.211   11.374   42.029   19.632 -17.81736 22.68895 
1 1 1   15   15   48 o   42.261   12.703   0.9439   3.4085  -0.7528   3.7445   9.1478   8.2337   29.313   13.156   55.209   21.734 -25.89661 25.40546 
1 1 1   15   15   49 o   45.813   11.535   4.7367   4.3065   10.484   4.8457 -16.8630   9.3940   59.679   16.710   31.947   15.904 27.73212 23.06914 
1 1 1   15   15   50 o   27.413   9.6163  -4.8787   3.1840  -3.1582   3.3692 -19.2471   9.7365   23.716   11.257   31.110   15.594 -7.393936 19.23256 
1 1 1   15   16    0 o   73.186   9.9643   13.971   4.3040   13.971   4.3040   13.971   4.3040   73.186   14.092   73.186   14.092 -0.000000 0.000000 
1 1 1   15   16    1 o  172.295   10.633   71.428   8.3784   70.217   10.760   73.293   13.353  171.014   13.463  173.575   16.461 -2.561295 21.26549 
1 1 1   15   16    2 o   81.398   9.9128   16.010   3.6138   15.340   4.6412   17.040   5.7593   80.098   12.398   82.698   15.470 -2.600601 19.82551 
1 1 1   15   16    3 o   81.415   9.7916   16.051   3.5739   16.798   5.6566   15.554   4.6107   82.151   15.296   80.680   12.228 1.471237 19.58328 
1 1 1   15   16    4 o  317.900   29.572  310.674   33.728  255.837   67.457  328.952   38.945  274.777   54.454  361.022   23.082 -86.24457 59.14451 
1 1 1   15   16    5 o  298.221   14.417  220.895   19.651  219.826   31.080  221.606   25.363  295.729   22.488  300.712   18.047 -4.983368 28.83402 
1 1 1   15   16    6 o  169.808   11.887   70.255   9.4255   67.117   13.346   73.378   13.313  165.855   17.218  173.761   16.394 -7.906250 23.77456 
1 1 1   15   16    7 o  223.744   14.045  123.905   14.669  117.411   20.754  130.388   20.736  217.533   20.414  229.955   19.295 -12.42151 28.08944 
1 1 1   15   16    8 o  237.178   14.629  140.065   16.133  124.174   22.740  156.167   22.891  222.796   21.839  251.560   19.471 -28.76433 29.25821 
1 1 1   15   16    9 o  229.268   14.485  130.971   15.393  149.397   21.792  112.620   21.747  246.416   18.923  212.121   21.937 34.29549 28.97071 
1 1 1   15   16   10 o  178.007   12.272   77.443   10.189   72.234   14.440   82.608   14.378  171.754   17.989  184.259   16.697 -12.50479 24.54408 
1 1 1   15   16   11 o  263.821   18.342  170.413   21.664  150.858   26.502  209.795   37.609  244.508   23.192  283.133   28.423 -38.62549 36.68414 
1 1 1   15   16   12 o  111.505   13.944   32.541   6.6532   35.850   8.3463   26.773   11.019  121.932   14.646  101.078   23.732 20.85328 27.88798 
1 1 1   15   16   13 o   87.749   13.522   20.566   5.2895   15.009   8.8917   23.609   6.5804   76.456   23.006   99.042   14.216 -22.58591 27.04417 
1 1 1   15   16   14 o   71.654   13.845   12.890   4.6556   13.910   7.6296   12.285   5.8764   73.725   21.083   69.584   17.951 4.141129 27.69016 
1 1 1   15   16   15 o  177.145   18.114   80.427   14.943   87.793   21.173   73.117   21.093  185.977   24.360  168.313   26.815 17.66321 36.22813 
1 1 1   15   16   16 o  114.382   15.322   37.125   7.4757   46.613   9.4467   21.229   12.228  139.120   14.529   89.643   26.980 49.47665 30.64373 
1 1 1   15   16   17 o   84.961   14.151   19.960   5.9461   27.301   7.6176   8.5127   9.5126  106.233   15.343   63.689   23.782 42.54456 28.30214 
1 1 1   15   16   18 o  203.986   16.543  104.859   14.980  102.815   18.480  108.775   25.579  203.681   19.414  204.290   26.791 -0.6091156 33.08564 
1 1 1   15   16   19 o  114.860   18.233   36.802   9.8187   24.556   15.004   45.975   12.985   94.386   30.137  135.333   20.531 -40.94736 36.46550 
1 1 1   15   16   20 o  122.023   16.440   39.076   8.3005   37.925   15.359   39.551   9.8653  117.101   28.365  126.945   16.628 -9.843712 32.87948 
1 1 1   15   16   21 o   84.765   17.406   18.652   6.6815   19.087   13.456   18.510   7.6975   84.952   28.619   84.578   19.820 0.3739014 34.81229 
1 1 1   15   16   22 o  102.608   18.102   27.024   8.7852   39.421   13.693   18.353   11.453  121.890   24.880   83.325   26.301 38.56530 36.20461 
1 1 1   15   16   23 o  140.210   16.972   56.160   9.7534   66.719   12.150   37.030   16.355  165.439   15.715  114.982   30.087 50.45643 33.94392 
1 1 1   15   16   24 o   97.676   13.998   24.624   6.1682   25.107   8.8868   24.174   8.5682   98.542   19.980   96.809   19.610 1.733452 27.99573 
1 1 1   15   16   25 o   49.795   12.752   2.8989   4.6776  -6.5107   6.9804   10.568   6.3018   35.301   16.587   64.289   19.373 -28.98806 25.50401 
1 1 1   15   16   26 o   88.542   14.360   20.554   5.8325   23.452   8.3479   17.790   8.1523   95.076   19.443   82.008   21.137 13.06747 28.71972 
1 1 1   15   16   27 o   62.769   14.032   9.6475   5.1086   2.8291   7.6344   15.176   6.8745   49.360   20.384   76.178   19.290 -26.81751 28.06457 
1 1 1   15   16   28 f   73.163   17.141   14.252   6.4098   9.9701   13.642   15.465   7.2612   69.725   27.807   76.602   20.049 -6.877106 34.28159 
1 1 1   15   16   29 o  171.691   18.631   74.371   14.950   0.0000   0.0000   74.371   14.950  ?   ?   171.691   18.631      ?      ? 
1 1 1   15   16   30 o   40.074   18.456  -4.6785   7.9869   0.0000   0.0000  -4.6785   7.9869  ?   ?    40.074   18.456      ?      ? 
1 1 1   15   16   31 o  111.423   16.331   35.062   8.0888   40.118   10.285   26.866   13.096  126.314   17.423   96.532   27.628 29.78197 32.66250 
1 1 1   15   16   32 f  101.876   16.527   28.076   7.5316   26.541   9.5548   30.596   12.240   99.465   21.203  104.287   25.358 -4.821663 33.05427 
1 1 1   15   16   33 o  200.737   14.335  104.428   13.441  108.280   19.413  100.882   18.627  204.223   20.340  197.252   20.206 6.971054 28.67066 
1 1 1   15   16   34 o  184.215   13.814   87.829   11.882   86.282   17.047   89.291   16.572  182.189   20.021  186.240   19.040 -4.051727 27.62846 
1 1 1   15   16   35 o   70.034   14.492   13.911   5.5571   5.5978   8.9782   19.074   7.0752   55.378   22.392   84.689   18.402 -29.31139 28.98348 
1 1 1   15   16   36 o   61.702   15.414   9.6700   5.4977   11.911   8.4980   8.0569   7.2096   66.219   22.739   57.185   20.816 9.034550 30.82862 
1 1 1   15   16   37 o  123.500   14.729   41.893   8.0891   33.701   11.848   49.047   11.071  108.712   23.964  138.287   17.131 -29.57450 29.45754 
1 1 1   15   16   38 o  169.119   13.461   75.167   10.599   82.708   15.101   67.846   14.880  178.366   18.115  159.871   19.915 18.49562 26.92154 
1 1 1   15   16   39 o   68.993   15.335   13.327   6.0026   6.2996   8.8368   19.347   8.1791   55.284   22.264   82.701   21.095 -27.41734 30.67041 
1 1 1   15   16   40 o   55.578   14.553   7.6679   5.3702   2.2021   8.3541   11.517   7.0105   47.502   20.534   63.655   20.629 -16.15233 29.10685 
1 1 1   15   16   41 o   36.358   10.431   1.6834   2.9590   3.9870   3.3484  -6.5272   6.3216   40.787   14.259   31.929   15.230 8.858345 20.86288 
1 1 1   15   16   42 o   54.082   17.059   1.9648   8.5197   4.3006   13.774   0.5173   10.843   58.082   25.700   50.082   22.439 8.000427 34.11699 
1 1 1   15   16   43 f   92.364   15.100   16.835   4.8578   12.810   5.2137   43.329   13.376   68.032   16.555  116.696   25.259 -48.66377 30.20097 
1 1 1   15   16   44 o   44.282   14.152   1.4781   4.5228   1.4630   4.8482   1.5791   12.557   37.304   15.874   51.260   23.434 -13.95529 28.30460 
1 1 1   15   16   46 o   37.115   12.484  -1.0419   3.7492  -0.5293   3.9420  -5.9014   12.137   30.461   13.597   43.769   20.940 -13.30764 24.96716 
1 1 1   15   16   47 o   47.245   14.582   3.7378   4.4244   3.3452   4.7285   6.4989   12.540   40.365   16.276   54.125   24.199 -13.75988 29.16315 
1 1 1   15   16   48 o   43.702   14.932  -8.5187   9.0308   2.8498   13.831 -16.9681   11.923   50.757   23.687   36.646   18.189 14.11124 29.86476 
1 1 1   15   16   49 o   52.511   18.099   8.5807   5.3858   8.5807   5.3858   0.0000   0.0000   52.511   18.099  ?   ?       ?      ? 
1 1 1   15   17    0 o  106.120   8.6682   27.627   5.8686   27.627   5.8686   27.627   5.8686  106.120   12.259  106.120   12.259 -0.000000 0.000000 
1 1 1   15   17    1 o  211.314   10.585  107.879   10.444  112.963   14.767  102.791   14.773  216.465   14.597  206.163   15.332 10.30197 21.16956 
1 1 1   15   17    2 o  231.220   13.260  131.899   13.978  133.652   18.005  129.240   22.177  234.496   16.429  227.944   20.818 6.552307 26.51953 
1 1 1   15   17    3 o  198.600   11.216   92.987   10.254   80.577   13.186  111.969   16.308  182.478   15.462  214.721   16.251 -32.24257 22.43163 
1 1 1   15   17    4 o  135.566   9.8646   44.947   6.0282   47.484   7.7196   40.981   9.6502  141.119   11.705  130.013   15.882 11.10651 19.72923 
1 1 1   15   17    5 o  120.536   9.3511   34.149   5.1719   31.460   6.6110   38.389   8.3031  114.742   12.328  126.330   14.064 -11.58823 18.70213 
1 1 1   15   17    6 o  381.565   20.064  385.283   34.621  403.841   44.676  357.385   54.776  399.065   23.955  364.066   32.193 34.99918 40.12774 
1 1 1   15   17    7 o  144.463   9.9030   50.077   6.5327   49.685   8.3822   50.684   10.426  144.174   12.440  144.751   15.412 -0.5777283 19.80607 
1 1 1   15   17    8 o  175.114   9.2958   73.525   7.6015   70.400   10.772   76.625   10.728  171.302   13.455  178.926   12.830 -7.624283 18.59164 
1 1 1   15   17    9 o  115.851   9.0382   32.625   4.6824   30.213   7.6771   34.053   5.9086  111.957   14.672  119.745   10.558 -7.787956 18.07636 
1 1 1   15   17   10 o  126.658   10.503   38.688   6.2160   37.874   8.7764   39.507   8.8051  125.285   14.989  128.031   14.716 -2.746002 21.00522 
1 1 1   15   17   11 o  248.180   20.400  163.858   21.913  169.764   26.887  152.176   37.817  260.488   22.086  235.872   34.306 24.61594 40.80045 
1 1 1   15   17   12 o   96.779   11.328   23.141   4.9735   21.524   7.2799   24.557   6.8106   92.578   17.466  100.979   14.431 -8.401291 22.65679 
1 1 1   15   17   13 o  156.385   13.483   59.546   9.3294   62.725   16.143   57.952   11.432  158.204   21.833  154.566   15.826 3.638336 26.96542 
1 1 1   15   17   14 o   98.129   14.458   24.314   6.5814   15.518   8.9525   34.660   9.7085   77.359   23.041  118.898   17.472 -41.53838 28.91627 
1 1 1   15   17   15 o  138.314   13.207   46.377   8.1674   43.933   10.069   51.078   13.964  134.136   16.062  142.493   20.969 -8.357056 26.41415 
1 1 1   15   17   16 o  115.651   13.798   33.210   6.9983   31.597   8.7070   36.153   11.763  113.548   16.408  117.754   22.188 -4.205956 27.59540 
1 1 1   15   17   17 o   78.120   17.519   16.043   7.2393   13.532   10.795   18.095   9.7590   73.652   25.610   82.588   23.911 -8.936516 35.03736 
1 1 1   15   17   18 o  172.588   14.810   71.439   11.143   84.961   20.340   65.640   13.320  181.842   23.934  163.335   17.450 18.50679 29.61955 
1 1 1   15   17   19 o  162.831   20.675   73.898   14.905   51.081   21.527   94.911   20.659  132.588   34.434  193.074   22.895 -60.48656 41.35026 
1 1 1   15   17   20 o  216.835   30.986  128.314   31.400  128.314   31.400   0.0000   0.0000  216.835   30.986  ?   ?       ?      ? 
1 1 1   15   17   21 o  127.046   15.088   38.475   8.4290   31.976   10.257   51.996   14.793  111.320   20.469  142.773   22.171 -31.45332 30.17503 
1 1 1   15   17   22 o   88.931   14.010   20.389   5.6897   16.568   7.7405   24.880   8.3919   79.463   20.653   98.399   18.936 -18.93587 28.02000 
1 1 1   15   17   23 o  112.606   13.601   33.163   6.7123   46.145   9.5777   20.633   9.4097  137.419   14.913   87.794   22.749 49.62520 27.20106 
1 1 1   15   17   24 o  165.029   13.072   68.980   9.7250   90.718   13.980   48.597   13.537  192.156   15.567  137.902   21.005 54.25343 26.14446 
1 1 1   15   17   25 o  130.809   17.647   48.645   9.4482   39.361   17.236   52.633   11.297  115.850   31.156  145.768   16.582 -29.91824 35.29437 
1 1 1   15   17   26 o   57.879   16.400   3.5545   6.0210   12.451   12.120   0.6396   6.9377   71.768   26.836   43.989   18.860 27.77966 32.80021 
1 1 1   15   17   27 o   77.696   18.286   14.194   7.6996   24.531   13.036   8.6556   9.5416   92.842   27.838   62.550   23.719 30.29124 36.57261 
1 1 1   15   17   28 o   54.330   22.066   4.6203   8.7596   0.0000   0.0000   4.6203   8.7596  ?   ?    54.330   22.066      ?      ? 
1 1 1   15   17   29 o  133.929   17.816   48.817   10.781   34.428   14.614   66.000   15.970  108.790   28.428  159.068   21.482 -50.27866 35.63178 
1 1 1   15   17   30 o  136.547   16.047   48.848   9.5859   46.296   11.908   53.547   16.157  134.616   18.928  138.478   25.918 -3.861237 32.09364 
1 1 1   15   17   31 o  163.571   12.844   67.816   9.7952   74.591   14.289   61.810   13.454  171.496   17.828  155.647   18.496 15.84882 25.68884 
1 1 1   15   17   32 o  133.983   14.885   49.060   8.6874   36.269   12.842   59.854   11.797  113.588   24.879  154.377   16.350 -40.78939 29.77074 
1 1 1   15   17   33 o  116.045   13.462   34.734   7.0402   43.688   10.625   27.727   9.3997  130.826   17.378  101.264   20.564 29.56203 26.92348 
1 1 1   15   17   34 o   93.147   17.404   25.519   7.6003   26.586   9.6136   23.741   12.411   97.854   21.600   88.440   27.296 9.413956 34.80802 
1 1 1   15   17   35 o   82.091   15.092   18.518   5.7100   19.880   9.3475   17.708   7.2119   83.453   23.153   80.729   19.364 2.723526 30.18336 
1 1 1   15   17   36 o   50.498   13.008   2.7581   4.4786   12.267   7.1839  -3.2873   5.7279   66.981   20.782   34.015   15.652 32.96593 26.01679 
1 1 1   15   17   37 o   56.743   14.335   8.0995   4.7256   8.6553   7.5685   7.7444   6.0498   58.404   21.318   55.082   19.171 3.322124 28.66990 
1 1 1   15   17   38 o   82.214   15.031   18.982   5.6681   21.831   9.3429   17.323   7.1301   85.869   22.872   78.560   19.509 7.309036 30.06180 
1 1 1   15   17   39 o   54.595   14.845   7.0096   5.3022   10.009   8.2287   4.8804   6.9334   60.169   22.188   49.020   19.728 11.14994 29.68999 
1 1 1   15   17   40 o   57.863   13.776   7.9256   5.4330  -3.2858   8.4594   15.797   7.0880   41.243   18.994   74.483   19.958 -33.23970 27.55208 
1 1 1   15   17   41 o   75.550   12.526   13.142   4.0077   9.4522   4.6465   23.862   7.9199   58.867   16.321   92.234   19.006 -33.36701 25.05176 
1 1 1   15   17   42 o   55.965   12.516   6.4211   3.3743   3.6330   3.8621   15.415   6.9365   40.104   15.118   71.826   19.951 -31.72258 25.03229 
1 1 1   15   17   43 o   49.016   12.989   6.2861   4.6280   9.7347   5.0280 -12.8367   11.840   58.240   17.249   39.792   19.424 18.44815 25.97784 
1 1 1   15   17   44 o   62.226   17.960   11.024   8.5037   3.1366   11.128   22.096   13.184   50.061   22.555   74.392   27.955 -24.33125 35.91962 
1 1 1   15   17   45 o   50.941   16.260   3.9743   8.1390   3.7173   10.665   4.3327   12.595   49.689   22.259   52.192   23.708 -2.502609 32.51998 
1 1 1   15   17   46 o   48.314   15.844  -0.1770   8.7528  -6.9946   12.681   6.0267   12.096   43.565   20.987   53.063   23.743 -9.498253 31.68878 
1 1 1   15   17   47 f   40.485   13.998 -10.2331   8.7571 -13.7568   12.062  -6.3065   12.734   38.024   18.768   42.945   20.772 -4.921650 27.99509 
1 1 1   15   18    0 o  116.694   10.883   33.941   7.9874   33.941   7.9874   33.941   7.9874  116.694   15.390  116.694   15.390 -0.000000 0.000000 
1 1 1   15   18    1 o  158.954   9.9257   60.054   7.2498   57.151   9.3391   64.457   11.501  154.511   12.933  163.398   15.060 -8.886978 19.85138 
1 1 1   15   18    2 o  183.692   10.712   79.546   9.0600   70.618   11.652   93.193   14.407  171.200   14.564  196.185   15.713 -24.98471 21.42432 
1 1 1   15   18    3 o  216.808   11.914  112.287   11.883  103.009   15.274  126.511   18.911  206.177   15.852  227.439   17.792 -21.26141 23.82892 
1 1 1   15   18    4 o   96.820   9.4683   22.233   4.1674   21.424   5.2709   23.583   6.8064   94.760   11.902   98.880   14.729 -4.120522 18.93651 
1 1 1   15   18    5 f  209.906   10.080  106.260   9.8624   97.468   13.936  115.081   13.959  200.934   14.840  218.878   13.646 -17.94379 20.16060 
1 1 1   15   18    6 o  228.687   10.129  126.353   10.691  123.992   16.359  128.113   14.125  226.237   15.472  231.138   13.076 -4.900284 20.25717 
1 1 1   15   18    7 o  173.377   8.7971   71.826   7.0515   72.834   10.819   71.081   9.2980  174.141   13.293  172.613   11.526 1.527206 17.59410 
1 1 1   15   18    8 o   86.391   8.4737   17.883   3.4145   16.972   4.8916   18.747   4.7684   84.167   12.436   88.615   11.514 -4.448013 16.94742 
1 1 1   15   18    9 o  159.619   9.8870   63.531   6.7604   56.101   11.857   67.109   8.2289  151.346   16.764  167.892   10.487 -16.54616 19.77391 
1 1 1   15   18   10 o  152.877   10.237   55.712   7.1505   61.047   11.584   52.429   9.0886  158.223   15.666  147.531   13.182 10.69196 20.47390 
1 1 1   15   18   11 o  335.623   21.648  308.626   33.686  270.191   47.625  347.107   47.653  311.121   32.754  360.125   28.314 -49.00363 43.29543 
1 1 1   15   18   12 o   97.482   14.407   25.028   6.9514   42.799   9.9539   8.1101   9.7122  132.257   16.104   62.707   23.893 69.55016 28.81376 
1 1 1   15   18   13 o  114.480   15.826   34.225   8.1636   33.806   11.570   34.640   11.520  113.667   22.577  115.294   22.185 -1.626305 31.65242 
1 1 1   15   18   14 o  125.430   13.003   36.461   7.3718   29.184   9.1339   50.057   12.485  108.767   17.969  142.092   18.801 -33.32560 26.00699 
1 1 1   15   18   15 o  329.062   52.385  371.680   80.561   0.0000   0.0000  371.680   80.561  ?   ?   329.062   52.385      ?      ? 
1 1 1   15   18   16 o  135.465   17.891   56.302   9.8672   29.671   17.353   69.028   11.995  102.418   32.379  168.513   15.231 -66.09454 35.78254 
1 1 1   15   18   17 o  163.119   19.099   71.441   13.819   92.858   19.935   51.633   19.172  190.909   22.344  135.329   30.982 55.57999 38.19877 
1 1 1   15   18   18 o  139.060   18.653   52.929   11.684   40.792   16.976   63.852   16.105  119.857   30.292  158.263   21.773 -38.40613 37.30572 
1 1 1   15   18   19 o  185.264   13.088   85.878   11.245   98.497   16.045   73.693   15.765  199.477   17.210  171.050   19.722 28.42760 26.17510 
1 1 1   15   18   20 o  116.168   12.005   33.637   6.4654   30.546   9.4287   36.380   8.8826  110.591   18.243  121.745   15.612 -11.15339 24.01077 
1 1 1   15   18   21 o  104.437   12.579   27.861   5.8980   33.445   8.3060   22.181   8.3766  116.796   15.217   92.077   20.035 24.71931 25.15879 
1 1 1   15   18   22 o   86.819   13.852   19.674   5.4910   21.756   7.9351   17.762   7.6062   91.465   19.176   82.173   19.996 9.292099 27.70481 
1 1 1   15   18   23 o  216.048   19.084  126.918   17.916  125.182   31.119  127.779   21.912  208.990   31.861  223.107   21.015 -14.11725 38.16758 
1 1 1   15   18   24 o  150.258   16.722   60.101   10.528   59.480   18.610   60.393   12.767  145.175   28.446  155.340   17.586 -10.16508 33.44321 
1 1 1   15   18   25 o  223.220   24.069  148.586   25.092  144.764   35.657  152.335   35.317  219.296   34.792  227.144   33.269 -7.847778 48.13799 
1 1 1   15   18   26 f  145.133   19.987   59.987   13.058   59.198   18.853   60.715   18.103  143.389   29.127  146.877   27.379 -3.488297 39.97493 
1 1 1   15   18   27 o   79.382   17.068   17.111   7.2278   23.576   10.218   10.637   10.225   92.406   23.583   66.357   24.681 26.04879 34.13616 
1 1 1   15   18   28 o   78.617   18.387   17.217   7.8542   15.956   12.047   18.150   10.358   76.557   27.024   80.676   24.942 -4.119705 36.77485 
1 1 1   15   18   29 o  142.911   20.445   61.583   13.395   38.459   19.370   82.775   18.543  109.286   34.160  176.536   22.475 -67.24981 40.89084 
1 1 1   15   18   30 o   38.173   12.201  -3.3662   4.8275  -8.0459   7.1318   0.5911   6.5584   33.933   16.184   42.412   18.264 -8.478352 24.40231 
1 1 1   15   18   31 o   82.726   14.981   18.889   5.7943   18.427   8.7604   19.248   7.7257   81.193   22.371   84.259   19.931 -3.066185 29.96170 
1 1 1   15   18   32 o   64.793   16.426   11.131   6.3414   12.255   8.5485   9.7560   9.4560   66.981   22.810   62.605   23.643 4.376225 32.85228 
1 1 1   15   18   33 o  109.488   13.333   30.886   6.5979   38.605   10.230   25.387   8.6336  122.136   17.922   96.840   19.746 25.29549 26.66611 
1 1 1   15   18   34 o  130.442   15.594   50.933   8.6272   22.909   12.571   75.882   11.861   86.785   27.572  174.099   14.578 -87.31359 31.18884 
1 1 1   15   18   35 o  124.562   12.742   40.584   7.3926   40.200   10.852   40.916   10.098  123.417   18.814  125.707   17.189 -2.289520 25.48368 
1 1 1   15   18   36 o   67.203   15.120   12.855   5.3201   13.006   8.0585   12.739   7.0830   67.328   22.133   67.078   20.607 0.2497711 30.24089 
1 1 1   15   18   37 o  100.725   14.041   28.760   6.4161   25.239   9.5376   31.670   8.6716   92.203   22.363  109.247   16.984 -17.04376 28.08166 
1 1 1   15   18   38 o  156.286   12.979   65.607   9.4714   69.172   13.725   62.365   13.087  160.383   18.311  152.189   18.400 8.193359 25.95845 
1 1 1   15   18   39 o   89.727   14.762   25.880   7.3506   39.519   9.5338   5.8876   11.543  122.474   16.656   56.980   24.376 65.49352 29.52327 
1 1 1   15   18   40 o   96.709   12.000   18.997   4.5385   13.728   5.0412   41.530   10.426   70.919   15.631  122.498   18.211 -51.57833 23.99950 
1 1 1   15   18   41 o   59.999   14.502   6.6299   3.4927   4.8192   3.7204   20.076   10.139   43.298   15.036   76.701   24.803 -33.40310 29.00461 
1 1 1   15   18   42 o   68.972   17.748   15.879   7.7093   9.2411   10.378   24.053   11.516   56.999   23.671   80.945   26.452 -23.94632 35.49659 
1 1 1   15   18   43 o  104.591   11.601   28.381   5.2683   18.574   6.6300   45.180   8.6775   79.197   18.283  129.984   14.284 -50.78674 23.20153 
1 1 1   15   18   44 f   81.075   18.219   19.731   7.4984   11.480   8.8456   40.799   14.135   59.367   22.759  102.782   28.456 -43.41515 36.43775 
1 1 1   15   18   45 o   63.053   17.365   12.830   9.2446  -7.8426   14.748   26.208   11.865   45.269   22.004   80.837   26.870 -35.56806 34.72985 
1 1 1   15   18   46 o   45.332   15.213  -1.5253   8.7212   2.8108   12.516  -5.6173   12.159   48.447   22.583   42.217   20.391 6.229111 30.42674 
1 1 1   15   19    0 o   90.269   12.229   21.422   6.5206   21.422   6.5206   21.422   6.5206   90.269   17.294   90.269   17.294 -0.000000 0.000000 
1 1 1   15   19    1 o  126.535   10.692   39.194   6.2257   31.268   8.7190   47.437   8.8925  112.914   16.523  140.156   13.576 -27.24191 21.38465 
1 1 1   15   19    2 o  366.820   23.391  377.484   39.729  427.863   56.262  327.381   56.108  396.029   30.398  337.611   35.560 58.41742 46.78218 
1 1 1   15   19    3 o  170.885   14.453   71.933   11.006   68.632   13.543   78.353   18.888  166.896   17.363  174.874   23.111 -7.978470 28.90673 
1 1 1   15   19    4 o  176.323   14.597   79.250   10.223   80.413   11.805   75.758   20.448  182.395   13.848  170.252   25.699 12.14267 29.19307 
1 1 1   15   19    5 o  141.181   8.4187   47.720   5.5479   51.039   7.9458   44.563   7.7497  146.044   11.642  136.317   12.164 9.727097 16.83748 
1 1 1   15   19    6 o   99.789   9.7323   23.717   4.4251   22.641   5.6098   25.489   7.1999   97.144   12.356  102.434   15.040 -5.290016 19.46455 
1 1 1   15   19    7 o   41.761   10.451   3.6648   2.5719   4.7216   3.7175   2.6946   3.5619   45.093   15.043   38.428   14.511 6.664764 20.90130 
1 1 1   15   19    8 o  163.526   10.418   64.715   7.7746   65.243   12.412   64.374   9.9739  163.441   16.249  163.611   13.044 -0.1705322 20.83677 
1 1 1   15   19    9 o  160.051   10.086   61.995   7.0081   61.759   12.421   62.105   8.4882  158.815   16.735  161.288   11.261 -2.472885 20.17123 
1 1 1   15   19   10 o  139.812   10.921   47.971   7.0627   43.228   10.387   52.048   9.6316  132.849   16.730  146.775   14.041 -13.92537 21.84170 
1 1 1   15   19   11 o   76.637   12.686   15.245   4.2236   13.182   7.9132   16.067   4.9946   71.572   21.741   81.703   13.080 -10.13132 25.37249 
1 1 1   15   19   12 o  108.137   14.862   37.072   6.7559   14.096   12.076   47.540   8.1509   75.581   27.016  140.693   12.396 -65.11193 29.72390 
1 1 1   15   19   13 o   87.289   16.914   19.982   6.9826   22.785   11.158   18.178   8.9522   91.733   25.236   82.844   22.528 8.889389 33.82791 
1 1 1   15   19   14 o  164.871   16.380   71.408   11.144   68.487   20.044   72.715   13.408  157.965   28.184  171.777   16.701 -13.81209 32.76073 
1 1 1   15   19   15 o  124.384   14.817   39.144   7.5925   41.521   14.161   38.185   8.9946  123.896   25.312  124.872   15.413 -0.9755325 29.63476 
1 1 1   15   19   16 o   76.528   18.186   15.148   6.4085   0.0000   0.0000   15.148   6.4085  ?   ?    76.528   18.186      ?      ? 
1 1 1   15   19   17 o  130.937   11.816   42.847   7.1215   50.228   9.9827   35.197   10.162  143.285   14.907  118.588   18.336 24.69687 23.63143 
1 1 1   15   19   18 o  154.141   12.227   59.182   8.7915   57.500   12.701   60.728   12.181  151.693   17.915  156.589   16.645 -4.895874 24.45461 
1 1 1   15   19   19 o   80.518   16.734   17.987   7.3109   8.2134   11.426   24.763   9.5134   64.534   25.539   96.502   21.629 -31.96799 33.46740 
1 1 1   15   19   20 o   84.104   15.837   17.406   5.8209   23.531   11.164   15.120   6.8215   92.272   25.185   75.936   19.208 16.33559 31.67386 
1 1 1   15   19   21 o   58.393   15.845   6.9952   5.5127   6.6335   11.104   7.1135   6.3507   61.535   24.895   55.250   19.608 6.284954 31.68999 
1 1 1   15   19   22 o   77.274   17.182   14.726   7.4708   25.251   11.173   6.2156   10.047   95.411   24.821   59.137   23.767 36.27335 34.36451 
1 1 1   15   19   23 o   75.851   17.236   15.157   7.7218   4.8085   11.574   23.458   10.366   59.478   24.874   92.224   23.867 -32.74532 34.47262 
1 1 1   15   19   24 o  122.085   16.703   42.417   8.6801   46.949   10.709   33.738   14.820  136.953   16.732  107.218   28.914 29.73496 33.40641 
1 1 1   15   19   25 o  118.939   15.920   37.496   8.3665   36.360   10.521   39.449   13.798  119.314   18.868  118.564   25.648 0.7508469 31.84031 
1 1 1   15   19   26 o  150.240   12.618   57.240   8.8558   57.525   12.723   56.973   12.334  150.434   18.098  150.047   17.588 0.3864441 25.23620 
1 1 1   15   19   27 o   91.883   17.099   21.275   7.1095   32.688   12.755   16.130   8.5632  107.091   25.792   76.675   22.456 30.41663 34.19778 
1 1 1   15   19   28 o  158.792   15.308   62.498   10.803   82.950   19.234   53.072   13.057  174.697   23.558  142.888   19.553 31.80832 30.61565 
1 1 1   15   19   29 o  141.668   12.892   51.865   8.5257   55.290   12.327   48.724   11.804  146.296   18.029  137.041   18.431 9.255386 25.78303 
1 1 1   15   19   30 o   61.940   15.920   9.2790   5.9686   6.3225   7.8235   13.396   9.2320   54.458   21.260   69.423   23.704 -14.96551 31.84099 
1 1 1   15   19   31 o   77.907   13.284   15.471   5.6819   28.582   8.2679   3.7378   7.8215  105.789   16.723   50.026   20.644 55.76294 26.56742 
1 1 1   15   19   32 o  115.023   13.895   35.324   7.2959   33.976   10.472   36.595   10.170  111.493   20.865  118.553   18.356 -7.060326 27.78993 
1 1 1   15   19   33 o   88.590   17.109   23.082   7.2054   22.991   9.3175   23.218   11.365   89.709   22.316   87.471   25.939 2.238419 34.21733 
1 1 1   15   19   34 o   82.132   14.224   20.026   5.8154   11.617   9.0652   25.907   7.5808   64.390   23.357   99.873   16.241 -35.48354 28.44857 
1 1 1   15   19   35 o   90.662   16.446   24.980   6.9603   25.573   9.0989   24.145   10.807   93.854   21.239   87.470   25.115 6.384018 32.89194 
1 1 1   15   19   36 o   75.813   16.778   16.638   6.5564   12.740   8.4030   22.703   10.482   66.150   22.614   85.475   24.792 -19.32536 33.55658 
1 1 1   15   19   37 o  120.019   18.993   45.681   10.920   63.422   15.926   29.938   15.003  147.857   23.048   92.180   30.195 55.67700 37.98568 
1 1 1   15   19   38 o   41.578   13.154  -2.5334   5.4494  -8.3666   7.2733   4.9318   8.2280   32.872   15.851   50.283   20.996 -17.41042 26.30710 
1 1 1   15   19   39 o   86.867   17.261   24.335   7.1130   21.790   8.9563   28.681   11.705   82.826   22.537   90.908   26.149 -8.082367 34.52106 
1 1 1   15   19   40 f   53.857   12.548   7.9277   3.4579   7.2147   4.1517   9.5424   6.2481   50.931   15.798   56.783   19.498 -5.852451 25.09506 
1 1 1   15   19   41 o   92.620   10.659   22.383   4.3424   15.083   5.6109   33.287   6.8570   72.361   16.898  112.880   12.998 -40.51886 21.31853 
1 1 1   15   19   42 o   51.882   14.923   3.8267   5.2234   16.139   10.291  -0.4458   6.0623   66.885   24.784   36.879   16.629 30.00599 29.84572 
1 1 1   15   19   43 o   42.195   11.533   2.7009   3.0656   0.4293   3.6157   8.5099   5.7820   31.020   13.459   53.370   18.732 -22.34945 23.06590 
1 1 1   15   19   44 o   74.659   17.281   16.335   5.8167   33.837   13.229   12.140   6.4763   88.487   28.303   60.832   19.834 27.65495 34.56127 
1 1 1   15   20    0 o   63.880   11.784   11.460   4.2992   11.460   4.2992   11.460   4.2992   63.880   16.666   63.880   16.666 -0.000000 0.000000 
1 1 1   15   20    1 o  188.644   10.721   83.289   9.2472   64.614   11.887  111.919   14.717  162.659   15.636  214.629   14.672 -51.97061 21.44232 
1 1 1   15   20    2 o  257.280   14.877  170.564   17.244  152.025   27.252  182.942   22.269  242.388   24.057  272.172   17.507 -29.78481 29.75323 
1 1 1   15   20    3 o  290.219   16.253  215.764   21.576  218.592   34.140  213.883   27.841  289.075   25.270  291.363   20.446 -2.287811 32.50604 
1 1 1   15   20    4 o  258.478   13.375  164.475   15.256  173.543   26.518  159.989   18.652  261.114   21.730  255.842   15.600 5.271957 26.74965 
1 1 1   15   20    5 o  124.133   8.6478   36.259   4.7370   39.428   8.3201   34.738   5.7621  127.539   13.959  120.727   10.213 6.811684 17.29565 
1 1 1   15   20    6 o   57.053   10.974   8.5331   3.0454   5.9109   4.9696   10.110   3.8537   50.537   17.387   63.569   13.394 -13.03146 21.94823 
1 1 1   15   20    7 o   97.212   12.109   25.086   5.1319   34.659   7.0853   14.522   7.4432  119.914   12.643   74.510   20.656 45.40392 24.21844 
1 1 1   15   20    8 o   48.049   11.728   4.2359   3.3661   8.8278   5.2866   1.1050   4.3653   59.103   17.729   36.995   15.357 22.10754 23.45560 
1 1 1   15   20    9 o   42.340   13.788   4.2405   3.1300   0.0000   0.0000   4.2405   3.1300  ?   ?    42.340   13.788      ?      ? 
1 1 1   15   20   10 o  163.810   16.416   66.191   12.568   0.0000   0.0000   66.191   12.568  ?   ?   163.810   16.416      ?      ? 
1 1 1   15   20   11 o  254.234   15.123  158.266   17.969   0.0000   0.0000  158.266   17.969  ?   ?   254.234   15.123      ?      ? 
1 1 1   15   20   12 o  114.475   13.491   32.399   4.8831   34.904   12.959   31.984   5.2716  113.117   25.163  115.832   9.7381 -2.714546 26.98194 
1 1 1   15   20   13 o   94.238   13.414   21.152   3.8946   25.008   11.329   20.635   4.1474   95.414   25.077   93.063   9.5358 2.351532 26.82878 
1 1 1   15   20   14 o  234.758   11.741  136.769   11.993  135.736   21.083  137.264   14.582  231.587   19.479  237.929   13.113 -6.342453 23.48207 
1 1 1   15   20   15 o  226.761   21.785  150.076   20.048  129.149   35.012  160.285   24.454  203.519   38.213  250.003   20.930 -46.48402 43.56932 
1 1 1   15   20   16 o  112.106   16.123   36.400   7.4451   26.149   13.855   40.562   8.8281   95.563   28.709  128.650   14.683 -33.08710 32.24601 
1 1 1   15   20   17 o  110.203   16.095   34.574   7.3253   26.812   13.752   37.649   8.6556   96.638   28.501  123.767   14.964 -27.12929 32.19079 
1 1 1   15   20   18 o  199.737   19.816  113.451   16.241  101.588   28.425  119.201   19.789  183.251   34.455  216.223   19.583 -32.97162 39.63171 
1 1 1   15   20   19 o   81.526   17.239   17.304   7.1426   24.839   11.203   12.143   9.2712   94.382   25.001   68.670   23.742 25.71127 34.47737 
1 1 1   15   20   20 o  109.429   14.376   30.338   6.9288   27.854   8.5986   34.936   11.700  105.220   17.486  113.639   22.823 -8.418808 28.75155 
1 1 1   15   20   21 o  111.383   16.197   33.976   7.7664   35.154   9.4544   31.529   13.619  118.288   17.102  104.479   27.512 13.80912 32.39408 
1 1 1   15   20   22 o  129.803   15.151   42.374   8.9121   37.305   11.090   51.617   14.976  120.354   19.716  139.252   23.011 -18.89819 30.30219 
1 1 1   15   20   23 o   66.051   14.355   11.551   4.8477   11.015   7.3666   11.960   6.4382   64.898   21.154   67.204   19.411 -2.305153 28.71005 
1 1 1   15   20   24 o  160.611   12.692   65.532   9.5065   71.501   13.711   60.006   13.192  167.993   17.464  153.229   18.422 14.76343 25.38425 
1 1 1   15   20   25 o  148.340   12.623   56.172   8.7483   56.670   12.556   55.701   12.195  148.838   18.051  147.841   17.651 0.9964905 25.24663 
1 1 1   15   20   26 o  185.028   17.133   92.453   13.896  102.448   24.514   87.721   16.867  187.314   28.002  182.742   19.750 4.572189 34.26633 
1 1 1   15   20   27 o  129.746   15.710   43.355   8.8247   56.114   15.729   37.494   10.661  139.969   24.960  119.524   19.085 20.44402 31.42033 
1 1 1   15   20   28 o  110.586   13.090   32.049   6.6020   35.685   9.6270   28.821   9.0711  117.663   17.507  103.509   19.466 14.15395 26.18053 
1 1 1   15   20   29 o   77.660   14.375   16.834   5.5530   10.318   8.0092   22.866   7.7059   62.720   22.045   92.600   18.454 -29.87962 28.74949 
1 1 1   15   20   30 o  106.086   13.580   30.022   6.4727   39.512   9.4637   21.680   8.8724  124.381   16.280   87.790   21.739 36.59094 27.15963 
1 1 1   15   20   31 o   43.486   18.923   0.7368   7.1888   0.7368   7.1888   0.0000   0.0000   43.486   18.923  ?   ?       ?      ? 
1 1 1   15   20   32 o   53.433   15.431   5.7984   6.1437   7.9605   7.5699   1.6257   10.516   56.067   21.159   50.799   22.467 5.268394 30.86224 
1 1 1   15   20   33 o   52.476   15.169   2.5345   5.9714  -3.0707   7.3893   13.085   10.138   38.561   17.757   66.391   24.598 -27.82982 30.33778 
1 1 1   15   20   34 o   56.715   20.763   8.4463   7.1869   8.4463   7.1869   0.0000   0.0000   56.715   20.763  ?   ?       ?      ? 
1 1 1   15   20   35 o   82.127   16.650   18.135   6.5519   12.351   7.9491   30.388   11.570   65.252   21.997   99.001   25.002 -33.74873 33.30059 
1 1 1   15   20   36 o   51.098   13.817   6.1819   5.2690  -7.0438   10.642   10.477   6.0645   41.903   19.924   60.294   19.150 -18.39106 27.63494 
1 1 1   15   20   37 o   59.931   14.758   10.414   4.9320   12.902   8.1371   8.9688   6.2008   64.098   22.237   55.763   19.408 8.334606 29.51596 
1 1 1   15   20   38 o  119.249   13.525   40.831   7.3326   47.294   10.932   35.545   9.8860  129.234   18.101  109.263   20.101 19.97068 27.04945 
1 1 1   15   20   39 o  113.538   13.823   37.982   7.1653   42.027   10.702   34.695   9.6468  119.766   19.119  107.311   19.970 12.45595 27.64691 
1 1 1   15   20   40 o   56.195   14.668   9.7564   5.1212   8.1703   8.1996   10.771   6.5575   53.496   21.481   58.895   19.978 -5.398941 29.33502 
1 1 1   15   20   41 o   38.699   11.505   2.4125   3.4351   3.0976   4.1652   0.9555   6.0740   38.608   15.375   38.790   17.120 -0.1819153 23.01038 
1 1 1   15   20   42 o   55.709   11.730   6.9114   3.5850   1.7526   4.3772   17.423   6.2482   35.681   15.129   75.738   17.930 -40.05762 23.46025 
1 1 1   15   20   43 o   56.143   16.464   10.383   6.9560   16.369   11.179   6.6016   8.8858   62.907   25.144   49.379   21.262 13.52745 32.92856 
1 1 1   15   21    0 o  274.816   13.414  185.659   24.098  185.659   24.098  185.659   24.098  274.816   18.970  274.816   18.970 -0.000000 0.000000 
1 1 1   15   21    1 o  119.225   8.7147   34.324   4.8486   36.495   6.8690   32.167   6.8450  123.101   11.940  115.348   12.698 7.753159 17.42936 
1 1 1   15   21    2 o  156.256   9.4177   59.409   6.8470   53.478   9.7197   65.253   9.6470  148.171   14.036  164.340   12.560 -16.16922 18.83548 
1 1 1   15   21    3 o  115.037   8.6384   29.873   4.3664   38.086   7.9569   26.335   5.2230  125.192   13.600  104.882   10.656 20.30945 17.27684 
1 1 1   15   21    4 o  145.051   8.8886   50.831   6.0239   51.542   8.6425   50.160   8.4007  146.000   12.666  144.102   12.474 1.898224 17.77720 
1 1 1   15   21    5 o  131.903   9.7507   43.127   5.8577   46.989   7.7181   37.879   8.9961  139.696   11.822  124.110   15.510 15.58640 19.50140 
1 1 1   15   21    6 o   93.253   10.297   21.300   4.4769   20.596   6.4868   21.941   6.1864   91.608   15.151   94.899   13.949 -3.290588 20.59442 
1 1 1   15   21    7 o  135.121   11.359   40.787   6.7625   59.382   12.361   32.843   8.0787  154.499   17.119  115.743   14.935 38.75674 22.71817 
1 1 1   15   21    8 o   97.239   22.861   25.472   10.214   0.0000   0.0000   25.472   10.214  ?   ?    97.239   22.861      ?      ? 
1 1 1   15   21    9 o  166.601   17.345   69.238   13.505   0.0000   0.0000   69.238   13.505  ?   ?   166.601   17.345      ?      ? 
1 1 1   15   21   10 o  125.589   15.819   38.949   9.2847   0.0000   0.0000   38.949   9.2847  ?   ?   125.589   15.819      ?      ? 
1 1 1   15   21   11 o   65.576   14.018   12.133   4.5902   4.0232   10.316   14.136   5.1256   56.531   23.549   74.620   15.213 -18.08987 28.03534 
1 1 1   15   21   12 o  103.809   12.820   24.627   4.5801   32.345   11.503   23.173   4.9929  109.385   23.219   98.233   10.876 11.15211 25.63981 
1 1 1   15   21   13 o   88.118   15.318   20.884   5.7099   19.125   11.782   21.424   6.5277   82.944   26.729   93.292   14.972 -10.34785 30.63618 
1 1 1   15   21   14 o   88.913   14.555   20.225   4.9377   21.362   11.457   19.965   5.4720   87.218   26.085   90.608   12.922 -3.390686 29.11036 
1 1 1   15   21   15 o   82.549   14.882   18.867   5.0137   14.966   11.766   19.732   5.5420   75.127   26.687   89.971   13.180 -14.84457 29.76415 
1 1 1   15   21   16 o  100.839   11.500   26.463   5.0522   22.087   7.9397   29.441   6.5492   91.673   19.150  110.005   12.739 -18.33252 22.99968 
1 1 1   15   21   17 o  150.885   16.306   61.699   10.337   63.486   12.666   58.135   17.887  158.972   17.048  142.798   27.802 16.17459 32.61267 
1 1 1   15   21   18 o  131.381   14.668   42.719   8.5716   34.879   10.657   57.081   14.425  114.695   20.641  148.067   20.845 -33.37220 29.33553 
1 1 1   15   21   19 o   70.513   15.352   12.347   5.5227   8.7302   6.9874   18.369   9.0149   59.327   20.605   81.698   22.763 -22.37024 30.70394 
1 1 1   15   21   20 o   48.248   13.007   3.7909   4.5439  -3.1468   7.2919   8.1951   5.8099   39.516   17.985   56.980   18.796 -17.46412 26.01429 
1 1 1   15   21   21 f   60.634   14.622   9.3782   4.9564   8.6453   7.5982   9.9211   6.5392   59.531   21.414   61.736   19.915 -2.205524 29.24302 
1 1 1   15   21   22 o   73.542   14.874   14.535   5.5647   19.835   8.0512   9.6878   7.7000   85.453   20.436   61.631   21.618 23.82232 29.74798 
1 1 1   15   21   23 o   50.149   14.392   4.1328   5.3339   6.3721   6.6231  -0.0001   8.9976   52.988   19.833   47.310   20.860 5.677898 28.78367 
1 1 1   15   21   24 o   60.168   15.085   5.7881   5.8777  -1.7522   7.4754   17.998   9.5126   41.256   18.547   79.081   23.796 -37.82449 30.16999 
1 1 1   15   21   25 o   73.300   18.099   14.646   7.9783   8.2613   11.153   21.337   11.418   61.948   24.989   84.652   26.189 -22.70398 36.19872 
1 1 1   15   21   26 o   69.440   17.345   11.771   7.4041   20.619   11.171   4.8387   9.8878   83.512   25.916   55.368   23.059 28.14343 34.68929 
1 1 1   15   21   27 o  130.588   17.443   49.225   9.6991   50.572   11.885   46.540   16.782  139.294   18.257  121.882   29.728 17.41191 34.88654 
1 1 1   15   21   28 o   97.720   16.472   29.198   7.6339   34.495   9.6185   20.180   12.549  114.760   17.934   80.680   27.635 34.08007 32.94431 
1 1 1   15   21   29 o   83.535   16.757   22.399   7.3050   27.404   9.0728   13.175   12.318   98.893   20.310   68.176   26.659 30.71684 33.51454 
1 1 1   15   21   30 o   64.455   16.933   11.448   6.3905   10.453   7.6193   13.807   11.735   60.993   21.496   67.916   26.169 -6.922924 33.86572 
1 1 1   15   21   31 o   89.210   14.768   23.322   6.0539   20.281   9.1214   25.716   8.0935   82.006   22.914   96.414   18.636 -14.40730 29.53584 
1 1 1   15   21   32 o   31.269   10.698  -8.8160   4.6957  -7.9095   7.1836  -9.4922   6.2048   33.449   16.031   29.089   14.169 4.360533 21.39506 
1 1 1   15   21   33 o   82.435   17.056   22.089   7.0757   24.307   8.6158   17.492   12.401   91.714   20.604   73.155   27.186 18.55981 34.11167 
1 1 1   15   21   34 o   42.081   12.064   1.3951   4.3697  -7.8304   7.0127   7.2508   5.5870   32.440   15.622   51.722   18.388 -19.28159 24.12807 
1 1 1   15   21   35 o  102.509   15.812   34.857   7.6452   44.580   10.112   21.884   11.681  127.222   17.007   77.796   26.662 49.42637 31.62472 
1 1 1   15   21   36 o   58.752   15.554   10.052   5.8754   6.2986   7.9186   14.649   8.7635   50.888   20.859   66.617   23.080 -15.72985 31.10864 
1 1 1   15   21   37 o   45.205   13.184   2.5900   4.5664   9.2239   7.4743  -1.3607   5.7680   55.439   21.000   34.972   15.947 20.46674 26.36845 
1 1 1   15   21   38 o   50.685   14.602   6.2953   5.4022   4.0538   7.0565   9.4692   8.3968   45.556   19.257   55.814   21.955 -10.25834 29.20415 
1 1 1   15   21   39 o   43.299   13.890   1.2164   5.2245   1.6646   11.162   1.0906   5.9121   47.970   21.991   38.627   16.975 9.343033 27.77999 
1 1 1   15   21   40 o   41.442   17.678   3.0177   6.0399   0.0000   0.0000   3.0177   6.0399  ?   ?    41.442   17.678      ?      ? 
1 1 1   15   21   41 o   85.599   16.077   24.211   6.3315   19.270   7.8115   33.676   10.810   74.931   21.300   96.267   24.087 -21.33581 32.15387 
1 1 1   15   22    0 o  113.614   17.913   36.052   11.751   36.052   11.751   36.052   11.751  113.614   25.332  113.614   25.332 -0.000000 0.000000 
1 1 1   15   22    1 o   33.873   10.676  -2.9715   3.3266   1.8308   5.7025  -5.4489   4.0958   42.455   17.582   25.290   12.116 17.16478 21.35262 
1 1 1   15   22    2 o   82.300   15.783   18.336   6.2501   20.334   8.8210   16.322   8.8571   86.907   21.766   77.693   22.862 9.214043 31.56602 
1 1 1   15   22    3 o   75.494   11.716   11.287   4.1301   26.307   7.6566   5.1227   4.9048  103.020   15.903   47.968   17.210 55.05263 23.43238 
1 1 1   15   22    4 o  195.244   13.152   96.531   11.999   95.593   17.051   97.451   16.890  194.148   18.792  196.340   18.406 -2.191650 26.30433 
1 1 1   15   22    5 o   98.936   15.664   28.695   6.3722   20.136   12.995   31.405   7.3116   84.540   28.122  113.333   13.804 -28.79293 31.32703 
1 1 1   15   22    6 o  221.837   15.782  118.685   15.556  166.064   27.805   97.096   18.769  249.773   23.819  193.900   20.712 55.87367 31.56478 
1 1 1   15   22    7 o   62.610   18.007   10.171   5.5510   0.0000   0.0000   10.171   5.5510  ?   ?    62.610   18.007      ?      ? 
1 1 1   15   22    8 o  165.258   16.542   68.177   12.776   0.0000   0.0000   68.177   12.776  ?   ?   165.258   16.542      ?      ? 
1 1 1   15   22    9 o   76.389   15.207   14.862   5.2382   0.0000   0.0000   14.862   5.2382  ?   ?    76.389   15.207      ?      ? 
1 1 1   15   22   11 o  115.686   23.524   36.587   12.285   36.587   12.285   0.0000   0.0000  115.686   23.524  ?   ?       ?      ? 
1 1 1   15   22   12 o  226.913   24.456  157.944   25.916  162.752   36.567  153.092   36.734  231.629   33.779  222.196   35.375 9.433167 48.91247 
1 1 1   15   22   13 o   91.982   15.133   22.724   6.9597   11.154   9.7063   34.967   9.9846   66.678   24.171  117.287   18.215 -50.60902 30.26647 
1 1 1   15   22   14 o  142.846   14.065   56.576   8.3638   71.777   11.102   36.624   12.719  170.888   13.901  114.804   24.455 56.08385 28.12940 
1 1 1   15   22   15 o   75.802   12.345   15.620   4.2258   11.894   7.2546   17.534   5.1989   66.945   20.903   84.659   13.140 -17.71394 24.68975 
1 1 1   15   22   16 o  108.660   14.394   31.816   6.9699   34.910   9.1486   27.536   10.760  117.785   16.620   99.536   23.506 18.24818 28.78806 
1 1 1   15   22   17 o  127.189   11.030   40.134   6.4723   42.440   10.086   38.520   8.4390  129.697   16.639  124.682   14.483 5.015251 22.05943 
1 1 1   15   22   18 o   85.974   12.268   19.361   4.6977   18.229   7.5930   20.063   5.9795   82.019   19.991   89.930   14.227 -7.911079 24.53656 
1 1 1   15   22   19 o   68.714   13.359   11.675   4.1208   15.964   7.6648   9.9314   4.8872   76.026   20.916   61.402   16.623 14.62454 26.71762 
1 1 1   15   22   20 o  214.032   14.440  121.862   14.423  130.993   20.900  113.559   19.929  222.031   20.141  206.034   20.697 15.99699 28.88007 
1 1 1   15   22   21 o  146.872   17.452   61.462   10.848   62.513   13.335   59.403   18.653  154.895   18.420  138.850   29.647 16.04498 34.90360 
1 1 1   15   22   22 o  101.161   17.041   28.940   7.5111   28.279   9.0322   30.424   13.524  102.509   19.567   99.812   27.906 2.696770 34.08223 
1 1 1   15   22   23 o   65.359   16.856   8.7416   7.8621   19.990   10.728  -4.3100   11.556   82.484   25.363   48.234   22.209 34.25023 33.71239 
1 1 1   15   22   24 o  190.704   35.770  123.440   30.709  123.440   30.709   0.0000   0.0000  190.704   35.770  ?   ?       ?      ? 
1 1 1   15   22   25 o  165.684   22.565   89.462   16.836   91.525   24.074   87.486   23.555  167.624   31.895  163.744   31.928 3.880310 45.12974 
1 1 1   15   22   26 o  105.640   14.497   31.612   6.9445   43.602   9.9481   20.216   9.6987  129.382   16.452   81.899   23.874 47.48317 28.99366 
1 1 1   15   22   27 o  139.334   13.267   52.988   8.5517   45.801   12.150   60.044   12.039  128.294   20.264  150.373   17.130 -22.07890 26.53467 
1 1 1   15   22   28 o   50.327   14.934   4.1818   5.8186   3.6185   7.4724   5.0493   9.2737   47.801   19.988   52.853   22.195 -5.052860 29.86845 
1 1 1   15   22   29 o   83.888   17.307   21.463   6.9586   21.190   8.4386   22.042   12.301   85.611   21.202   82.166   27.362 3.444977 34.61499 
1 1 1   15   22   30 o  111.584   12.689   33.250   6.5938   35.708   9.8431   31.248   8.8810  115.004   18.314  108.165   17.569 6.838928 25.37814 
1 1 1   15   22   31 o   93.674   14.431   26.027   6.1144   23.052   9.2165   28.367   8.1715   86.486   22.565  100.863   17.995 -14.37681 28.86166 
1 1 1   15   22   32 o   71.758   14.986   16.087   5.4153   14.261   8.2419   17.475   7.1835   67.102   22.399   76.414   19.913 -9.311569 29.97112 
1 1 1   15   22   33 o   69.145   14.712   14.188   5.1711   19.633   8.1028   10.446   6.7168   79.309   21.376   58.982   20.218 20.32776 29.42325 
1 1 1   15   22   34 o   32.561   10.740  -1.5610   2.9379  -0.8028   7.2653  -1.7092   3.2123   39.554   17.982   25.569   11.749 13.98490 21.48048 
1 1 1   15   22   35 o   51.933   13.339   5.5483   4.2021   14.216   7.4566   1.5142   5.0868   66.323   21.253   37.544   16.125 28.77974 26.67735 
1 1 1   15   22   36 o  101.768   21.243   32.453   9.7773   32.453   9.7773   0.0000   0.0000  101.768   21.243  ?   ?       ?      ? 
1 1 1   15   22   37 o   49.124   13.787   6.5612   4.5106   1.6326   10.339   7.7198   5.0129   46.774   21.337   51.473   17.467 -4.698215 27.57496 
1 1 1   15   22   38 o   29.987   10.595  -8.0569   3.9295  -6.2236   9.2633  -8.4592   4.3392   37.537   18.046   22.436   11.107 15.10131 21.19055 
1 1 1   15   22   39 o   49.140   21.068   6.5307   8.6564   0.0000   0.0000   6.5307   8.6564  ?   ?    49.140   21.068      ?      ? 
1 1 1   15   23    2 o  111.759   16.000   34.097   8.0438   32.164   11.839   35.755   10.963  107.679   24.124  115.838   21.024 -8.159142 31.99994 
1 1 1   15   23    3 o   93.612   20.573   23.472   8.7548   0.0000   0.0000   23.472   8.7548  ?   ?    93.612   20.573      ?      ? 
1 1 1   15   23    4 o   93.958   20.476   23.624   8.7371   0.0000   0.0000   23.624   8.7371  ?   ?    93.958   20.476      ?      ? 
1 1 1   15   23    5 o   91.718   20.867   22.646   8.7430   0.0000   0.0000   22.646   8.7430  ?   ?    91.718   20.867      ?      ? 
1 1 1   15   23    6 o  195.045   28.494  108.393   25.974   0.0000   0.0000  108.393   25.974  ?   ?   195.045   28.494      ?      ? 
1 1 1   15   23    8 o   88.040   15.700   20.634   6.3063   24.371   10.332   18.414   7.9614   93.524   23.629   82.555   20.679 10.96912 31.39964 
1 1 1   15   23    9 o  121.035   10.788   36.201   6.0794   39.509   9.0882   33.522   8.1788  125.914   15.444  116.156   15.066 9.758362 21.57566 
1 1 1   15   23   10 o  109.427   15.265   32.562   7.3826   34.008   9.3593   30.181   12.011  115.824   17.290  103.030   25.161 12.79470 30.52945 
1 1 1   15   23   11 o   77.272   12.701   16.484   4.5521   11.549   7.4726   19.396   5.7401   65.881   21.293   88.664   13.852 -22.78368 25.40225 
1 1 1   15   23   12 o   88.777   17.075   22.478   7.2748   23.331   9.9658   21.505   10.644   91.065   23.316   86.489   24.952 4.576363 34.15026 
1 1 1   15   23   13 o  104.690   16.076   30.148   7.5503   33.389   11.795   27.898   9.8277  108.648   23.880  100.731   21.529 7.917831 32.15210 
1 1 1   15   23   14 o  125.551   18.417   45.876   10.456   51.274   15.037   40.824   14.548  133.964   24.936  117.138   27.110 16.82648 36.83421 
1 1 1   15   23   15 f   88.484   16.766   22.806   7.3738   15.375   10.574   29.841   10.288   73.423   25.357  103.545   21.941 -30.12169 33.53209 
1 1 1   15   23   16 o  109.279   15.781   34.428   7.2049   29.492   13.203   36.521   8.5979   98.233   27.611  120.326   15.290 -22.09299 31.56132 
1 1 1   15   23   17 o  154.335   11.553   60.113   8.2663   71.450   12.244   50.619   11.205  168.171   15.579  140.499   17.065 27.67177 23.10665 
1 1 1   15   23   18 o  157.589   12.658   64.088   9.3136   67.056   13.536   61.420   12.834  160.969   17.994  154.209   17.808 6.760193 25.31614 
1 1 1   15   23   19 o  115.710   9.5532   32.286   4.9075   36.258   8.5522   30.336   5.9923  119.942   15.257  111.478   11.502 8.463783 19.10643 
1 1 1   15   23   20 o  110.133   10.005   28.242   4.8498   36.947   8.8235   24.473   5.8054  120.628   15.651   99.638   12.467 20.98981 20.00974 
1 1 1   15   23   21 o  125.766   12.736   41.754   7.4099   38.136   10.891   44.872   10.111  119.473   19.506  132.058   16.382 -12.58530 25.47270 
1 1 1   15   23   22 f   48.947   13.611   5.0658   3.6793   1.9810   10.207   5.5265   3.9445   51.106   22.385   46.789   15.490 4.317131 27.22186 
1 1 1   15   23   23 f   32.726   10.925  -1.6587   3.0888 -11.4598   9.4684  -0.4914   3.2675   36.908   17.867   28.544   12.579 8.363457 21.85080 
1 1 1   15   23   24 o   40.196   12.880  -1.2889   5.0781  -8.0246   9.7118   1.2456   5.9574   39.802   18.956   40.589   17.442 -0.7870331 25.75936 
1 1 1   15   23   25 o   41.803   12.923   0.2402   4.8267   2.8578   7.0964  -2.0133   6.5844   45.930   19.358   37.675   17.125 8.255104 25.84541 
1 1 1   15   23   26 o   63.213   13.905   10.636   5.1109   17.605   7.1810   3.4809   7.2758   78.985   19.557   47.442   19.771 31.54356 27.80930 
1 1 1   15   23   27 o  110.784   16.303   34.537   7.9429   28.492   9.8938   45.497   13.322   98.527   22.038  123.040   24.029 -24.51300 32.60511 
1 1 1   15   23   28 o   42.314   11.913   3.6405   3.3984   0.8646   6.7260   4.5921   3.9380   41.413   18.155   43.214   15.430 -1.800747 23.82559 
1 1 1   15   23   29 o   52.390   12.981   6.7897   3.6971   10.604   6.6876   5.1109   4.4367   59.777   20.176   45.003   16.338 14.77396 25.96119 
1 1 1   15   23   30 o   60.320   14.583   10.933   4.9380   12.459   7.2954   9.6439   6.7082   63.471   21.069   57.169   20.167 6.301460 29.16520 
1 1 1   15   23   31 o   58.100   14.356   10.044   4.7991   12.129   7.1830   8.3623   6.4501   62.340   20.910   53.860   19.677 8.479576 28.71258 
1 1 1   15   23   32 o   84.164   12.293   18.066   4.6087   29.870   8.1686   12.554   5.5820  103.193   16.938   65.134   17.821 38.05896 24.58583 
1 1 1   15   23   33 o   79.003   13.183   17.389   4.3921   22.242   8.4297   15.580   5.1457   83.218   21.516   74.788   15.239 8.429451 26.36621 
1 1 1   15   23   34 o   82.385   13.262   21.463   4.9985   16.191   8.3859   24.369   6.2253   69.166   22.571   95.604   13.933 -26.43835 26.52485 
1 1 1   15   23   35 o   50.440   12.864   7.7389   3.7849   0.8098   9.9728   8.9049   4.0910   45.105   20.717   55.775   15.255 -10.66950 25.72766 
1 1 1   15   23   36 o   38.354   12.147   1.8290   3.2915  -1.6408   10.112   2.2402   3.4811   42.290   19.901   34.418   13.934 7.871014 24.29390 
1 1 1   15   24    0 o  162.615   20.454   74.240   19.910   74.240   19.910   74.240   19.910  162.615   28.927  162.615   28.927 -0.000000 0.000000 
1 1 1   15   24    1 o  179.341   19.525   93.686   16.354   98.292   23.544   89.392   22.733  183.872   27.398  174.810   27.826 9.062164 39.05035 
1 1 1   15   24    2 o   88.103   13.847   22.476   5.5206   14.975   9.2990   26.559   6.8604   72.952   23.766  103.255   14.217 -30.30206 27.69367 
1 1 1   15   24    3 o  222.591   17.010  133.102   15.254  146.684   30.528  128.582   17.610  220.778   29.587  224.405   16.791 -3.627213 34.01955 
1 1 1   15   24    4 o  165.729   15.093   73.495   9.9611   73.782   19.849   73.399   11.516  159.997   26.545  171.462   14.371 -11.46472 30.18557 
1 1 1   15   24    5 o  186.003   19.215  106.712   14.224   78.917   24.139  121.496   17.605  154.631   34.300  217.375   17.330 -62.74370 38.42941 
1 1 1   15   24    6 o  162.015   16.428   73.437   9.9832   69.975   20.181   74.559   11.487  151.200   29.619  172.831   14.222 -21.63074 32.85674 
1 1 1   15   24    7 o   65.481   13.175   11.049   3.8269   12.348   7.7336   10.628   4.4039   67.076   21.660   63.887   15.005 3.189201 26.34960 
1 1 1   15   24    8 f  101.946   13.197   24.881   5.2258   33.026   11.198   22.614   5.9087  108.322   22.838   95.570   13.229 12.75212 26.39320 
1 1 1   15   24    9 o  140.896   13.911   51.768   7.4550   54.453   15.385   50.944   8.5224  138.007   24.763  143.785   12.683 -5.777328 27.82216 
1 1 1   15   24   10 o  187.079   23.213  111.609   19.594  128.146   27.687   95.018   27.733  207.537   28.545  166.621   36.613 40.91660 46.42603 
1 1 1   15   24   11 o  179.572   17.992   92.756   13.404   86.625   23.320   95.781   16.380  167.027   31.016  192.116   18.243 -25.08807 35.98314 
1 1 1   15   24   12 f  194.959   20.813  117.009   16.549  101.189   28.526  125.035   20.318  172.596   36.505  217.321   20.005 -44.72522 41.62688 
1 1 1   15   24   13 f  181.363   13.704   82.170   11.025  101.310   19.524   73.209   13.359  193.646   21.574  169.079   16.906 24.56725 27.40877 
1 1 1   15   24   14 o  293.798   16.247  235.854   21.870  251.712   34.783  225.486   28.125  297.729   24.997  289.866   20.762 7.862762 32.49484 
1 1 1   15   24   15 o   90.050   12.037   21.313   4.6356   20.863   8.0791   21.534   5.6601   86.888   20.267   93.212   12.993 -6.323753 24.07444 
1 1 1   15   24   16 o  103.499   11.317   23.176   4.8712   38.123   10.129   18.679   5.5559  120.617   17.968   86.382   13.762 34.23426 22.63327 
1 1 1   15   24   17 o  174.131   17.091   85.201   13.135   94.315   22.802   80.674   16.070  175.638   27.778  172.624   19.919 3.013824 34.18169 
1 1 1   15   24   18 o  125.022   16.887   46.898   8.8216   42.402   15.666   48.986   10.675  113.242   29.358  136.803   16.696 -23.56084 33.77335 
1 1 1   15   24   19 o  112.383   16.787   42.312   8.3448   25.470   14.536   50.592   10.192   85.265   29.713  139.501   15.632 -54.23563 33.57459 
1 1 1   15   24   20 o  144.430   17.865   66.375   10.682   52.682   18.044   73.765   13.255  122.221   31.417  166.639   17.020 -44.41793 35.73069 
1 1 1   15   24   21 o  101.315   15.801   29.773   7.1013   31.784   11.612   28.572   8.9751  101.737   24.676  100.893   19.741 0.8443756 31.60113 
1 1 1   15   24   22 o   87.779   16.010   21.983   6.3312   25.910   10.999   20.037   7.7426   91.469   25.011   84.089   19.994 7.379776 32.02037 
1 1 1   15   24   23 f   73.184   14.806   15.326   5.2692   17.369   8.1596   13.864   6.9011   76.788   21.749   69.580   20.097 7.207298 29.61244 
1 1 1   15   24   24 o  135.202   10.601   46.341   6.4344   52.222   10.923   43.216   7.9625  139.931   16.703  130.474   13.058 9.457321 21.20149 
1 1 1   15   24   25 o   39.848   11.593   2.7431   3.2837  -1.1562   7.0019   3.8424   3.7178   39.177   17.749   40.520   14.918 -1.343395 23.18590 
1 1 1   15   24   26 o   64.845   14.698   13.863   6.2905  -2.3049   11.881   20.160   7.4151   47.117   21.976   82.573   19.522 -35.45596 29.39534 
1 1 1   15   24   27 o   52.654   14.290   7.3104   4.9003   9.5261   7.5431   5.6924   6.4458   56.869   21.189   48.439   19.178 8.429729 28.57954 
1 1 1   15   24   28 o   72.499   22.437   17.202   8.3797   17.202   8.3797   0.0000   0.0000   72.499   22.437  ?   ?       ?      ? 
1 1 1   15   24   29 o   48.467   13.633   5.2304   4.7554   9.4886   7.1038   1.7726   6.4013   55.967   20.619   40.968   17.841 14.99886 27.26623 
1 1 1   15   24   30 f  114.980   14.415   39.993   7.3761   54.269   10.854   27.745   10.054  139.140   16.692   90.820   23.506 48.32038 28.82966 
1 1 1   15   24   31 o   77.788   12.637   15.293   4.6905   29.837   8.1996   8.2182   5.7185  102.691   17.085   52.886   18.624 49.80520 25.27368 
1 1 1   15   24   32 f   69.459   16.295   17.390   6.2155   14.677   11.874   18.414   7.2948   62.689   25.601   76.229   20.165 -13.53975 32.58905 
1 1 1   15   24   33 o   58.222   15.685   9.2511   5.1676   19.357   10.737   6.2042   5.8953   69.251   25.373   47.193   18.446 22.05873 31.36997 
1 1 1   15   24   34 o   70.474   17.076   20.894   7.8576   9.9809   12.995   27.184   9.8655   54.781   24.553   86.166   23.740 -31.38591 34.15284 
1 1 1   15   25    1 o   76.831   12.658   14.552   4.5452   0.0000   0.0000   14.552   4.5452  ?   ?    76.831   12.658      ?      ? 
1 1 1   15   25    2 o   94.393   12.307   21.906   5.4290   0.0000   0.0000   21.906   5.4290  ?   ?    94.393   12.307      ?      ? 
1 1 1   15   25    3 o   56.898   13.147   8.3460   3.6386   7.2424   7.9357   8.6397   4.0943   56.260   21.559   57.535   15.053 -1.274410 26.29472 
1 1 1   15   25    4 o  160.116   11.006   63.301   8.1179   75.562   12.879   55.219   10.456  172.299   15.994  147.933   15.124 24.36539 22.01282 
1 1 1   15   25    5 o   85.435   13.140   18.879   4.4289   20.537   9.4122   18.407   5.0193   84.447   23.156   86.423   12.427 -1.976097 26.27966 
1 1 1   15   25    6 o   84.577   13.551   20.748   4.7071   15.852   9.6701   22.269   5.3887   74.019   24.242   95.135   12.120 -21.11678 27.10244 
1 1 1   15   25    7 o   70.259   13.295   14.005   4.1148   11.202   8.5899   14.840   4.6877   64.330   22.807   76.187   13.667 -11.85723 26.58899 
1 1 1   15   25    8 o   50.852   12.620   6.3132   3.4044   5.5788   7.0154   6.5394   3.8936   51.425   20.116   50.279   15.245 1.145828 25.24050 
1 1 1   15   25    9 o   67.399   12.577   12.936   3.7793   9.1045   8.1282   13.993   4.2688   59.530   22.032   75.268   12.135 -15.73803 25.15311 
1 1 1   15   25   10 o  123.237   18.393   45.881   10.257   46.359   14.721   45.430   14.301  123.556   26.301  122.917   25.720 0.6394348 36.78667 
1 1 1   15   25   11 o   71.761   14.146   16.025   5.0987   8.0538   9.8996   18.903   5.9483   58.793   23.604   84.729   15.597 -25.93592 28.29162 
1 1 1   15   25   12 o   40.221   12.221   1.7101   3.2771   0.5029   8.2214   1.9381   3.5732   45.070   19.903   35.372   14.188 9.697643 24.44237 
1 1 1   15   25   13 o   76.398   13.987   15.209   4.8098   0.0000   0.0000   15.209   4.8098  ?   ?    76.398   13.987      ?      ? 
1 1 1   15   25   14 o   63.664   13.552   10.424   3.9355   14.103   7.8465   9.1870   4.5490   69.132   21.764   58.196   16.154 10.93623 27.10366 
1 1 1   15   25   15 o  159.655   11.862   55.941   7.9045   97.734   16.365   43.224   9.0273  189.907   18.439  129.403   14.927 60.50446 23.72383 
1 1 1   15   25   16 o  100.890   14.614   25.916   6.2043   38.529   11.673   20.950   7.3246  114.847   22.553   86.934   18.591 27.91250 29.22795 
1 1 1   15   25   17 f  124.369   10.057   38.133   5.6681   44.675   9.4824   34.496   7.0703  131.494   15.430  117.244   12.903 14.25008 20.11432 
1 1 1   15   25   18 o   55.940   14.480   7.8181   4.9662   10.726   7.5022   5.5497   6.6258   61.817   21.358   50.064   19.559 11.75286 28.96057 
1 1 1   15   25   19 o  164.385   14.057   75.277   10.727   68.009   15.348   82.218   14.998  154.784   21.218  173.986   18.445 -19.20226 28.11425 
1 1 1   15   25   20 o   66.280   16.792   12.893   6.9785   19.513   10.013   6.6425   9.7307   77.701   24.600   54.859   22.863 22.84261 33.58397 
1 1 1   15   25   21 o   71.957   13.122   15.855   4.1575   11.857   9.0418   16.927   4.6818   62.276   23.200   81.639   12.271 -19.36368 26.24498 
1 1 1   15   25   22 o   59.014   16.164   10.351   6.4213   11.912   8.4805   8.2537   9.8303   61.952   22.573   56.075   23.142 5.877113 32.32801 
1 1 1   15   25   23 o   28.326   13.626  -6.1659   5.2985   0.0000   0.0000  -6.1659   5.2985  ?   ?    28.326   13.626      ?      ? 
1 1 1   15   25   24 o   45.187   18.209   4.4930   5.9146   0.0000   0.0000   4.4930   5.9146  ?   ?    45.187   18.209      ?      ? 
1 1 1   15   25   25 o   49.470   13.570   5.6976   4.5949   10.163   7.0094   2.3330   6.0847   57.623   20.584   41.318   17.688 16.30523 27.13953 
1 1 1   15   25   26 o   63.427   13.780   10.811   5.0563   21.518   7.8654   3.2700   6.6010   83.209   20.386   43.644   18.546 39.56529 27.56002 
1 1 1   15   25   27 o  101.507   14.295   31.421   6.6336   40.727   9.6423   23.059   9.1404  119.891   17.209   83.123   22.830 36.76810 28.58928 
1 1 1   15   25   28 f   68.776   15.198   15.428   5.4638   18.020   7.9226   13.077   7.5452   74.267   21.557   63.286   21.430 10.98120 30.39638 
1 1 1   15   25   29 o   72.086   17.497   16.850   6.5834   28.104   12.406   12.438   7.7672   83.165   27.469   61.007   21.681 22.15815 34.99438 
1 1 1   15   25   30 o   51.418   15.591   4.3081   6.7435   16.542   11.184  -2.6805   8.4529   64.030   25.290   38.806   18.240 25.22437 31.18186 
1 1 1   15   25   31 o   63.175   16.151   14.793   7.3965   1.7138   11.575   23.820   9.6160   46.603   21.721   79.746   23.909 -33.14337 32.30238 
1 1 1   15   26    0 o   95.822   19.778   29.253   10.877   29.253   10.877   29.253   10.877   95.822   27.970   95.822   27.970 -0.000000 0.000000 
1 1 1   15   26    1 o   90.871   12.941   29.696   5.2083   37.582   6.0832   8.0406   10.081  123.628   10.529   58.114   23.645 65.51409 25.88271 
1 1 1   15   26    2 o   89.347   15.827   23.959   7.0258   13.917   9.7632   34.745   10.118   67.935   24.291  110.759   20.295 -42.82376 31.65302 
1 1 1   15   26    3 o   67.960   12.322   14.293   4.1195   6.4030   8.0003   17.140   4.8055   53.241   21.275   82.678   12.437 -29.43699 24.64302 
1 1 1   15   26    4 o   46.529   13.095   2.9955   4.1102   8.5060   7.2934   0.4310   4.9756   56.611   20.886   36.447   15.801 20.16392 26.18984 
1 1 1   15   26    5 o   97.640   14.168   27.994   5.3677   24.346   11.125   29.102   6.1283   87.364   25.598  107.916   12.151 -20.55259 28.33524 
1 1 1   15   26    6 o  100.056   11.242   21.194   4.5675   37.983   9.9761   16.742   5.1376  118.867   17.958   81.246   13.531 37.62114 22.48476 
1 1 1   15   26    7 o  157.941   15.510   69.834   9.3658   72.832   18.863   68.853   10.790  151.518   27.657  164.363   14.046 -12.84428 31.01927 
1 1 1   15   26    8 o   92.217   14.495   28.764   6.5154   10.448   11.515   37.390   7.9021   63.143   25.419  121.292   13.940 -58.14908 28.99099 
1 1 1   15   26    9 o   70.016   13.441   14.160   4.1255   10.931   9.4812   14.914   4.5820   62.870   23.691   77.163   12.706 -14.29306 26.88274 
1 1 1   15   26   10 o   79.282   15.046   17.951   6.3728   29.111   9.1971   7.6451   8.8386  101.864   20.033   56.700   22.455 45.16395 30.09230 
1 1 1   15   26   11 o  192.951   18.574  119.253   13.947   88.498   24.010  134.915   17.134  158.470   33.468  227.432   16.120 -68.96230 37.14812 
1 1 1   15   26   12 o   61.238   12.332   11.852   4.1029   1.0363   8.7425   14.907   4.6463   46.653   20.567   75.823   13.612 -29.17006 24.66360 
1 1 1   15   26   13 o   89.665   13.039   19.453   4.6053   29.111   9.7914   16.709   5.2186   99.679   21.639   79.650   14.556 20.02840 26.07896 
1 1 1   15   26   14 o   61.567   13.680   10.335   3.8722   11.370   8.5856   10.071   4.3385   62.199   22.705   60.936   15.266 1.263096 27.35983 
1 1 1   15   26   15 o   84.401   15.696   21.763   6.1405   22.798   10.089   21.154   7.7390   83.783   24.328   85.018   19.840 -1.234550 31.39193 
1 1 1   15   26   16 o   73.949   14.750   17.097   5.1186   15.050   9.9274   17.838   5.9739   67.700   24.460   80.197   16.490 -12.49689 29.49913 
1 1 1   15   26   17 o   84.784   13.863   17.352   4.9148   32.796   9.9388   12.353   5.6546  104.286   21.117   65.282   17.967 39.00375 27.72611 
1 1 1   15   26   18 o   44.239   13.525   2.5522   5.0856  -0.0003   8.5763   3.9364   6.3158   43.520   19.687   44.959   18.552 -1.439255 27.05053 
1 1 1   15   26   19 o   49.694   13.143   6.4172   3.5842   5.2356   8.6956   6.6591   3.9339   50.184   21.304   49.204   15.397 0.9796448 26.28588 
1 1 1   15   26   20 o   59.430   15.096   9.8336   4.2010   0.0000   0.0000   9.8336   4.2010  ?   ?    59.430   15.096      ?      ? 
1 1 1   15   26   21 f   66.508   12.223   11.031   3.6761   19.629   6.7934   7.4712   4.3714   81.655   18.259   51.361   16.253 30.29466 24.44512 
1 1 1   15   26   22 o   86.927   11.796   20.188   4.4168   26.393   7.7384   17.189   5.3791   95.095   18.073   78.758   15.164 16.33628 23.59194 
1 1 1   15   26   23 o   64.284   12.787   10.253   3.7427   19.068   7.2319   7.0286   4.3740   78.725   19.703   49.843   16.303 28.88215 25.57303 
1 1 1   15   26   24 o   99.201   14.982   34.845   6.0389   23.528   12.415   38.353   6.9116   76.627   27.392  121.775   12.144 -45.14787 29.96350 
1 1 1   15   26   25 o   72.775   15.421   14.939   5.0819   0.0000   0.0000   14.939   5.0819  ?   ?    72.775   15.421      ?      ? 
1 1 1   15   26   26 o   33.820   14.392   1.3309   3.9854   0.0000   0.0000   1.3309   3.9854  ?   ?    33.820   14.392      ?      ? 
1 1 1   15   26   27 o   49.009   15.829   7.0335   4.1303   0.0000   0.0000   7.0335   4.1303  ?   ?    49.009   15.829      ?      ? 
1 1 1   15   27    0 o  124.560   11.221   40.230   8.8289   40.230   8.8289   40.230   8.8289  124.560   15.869  124.560   15.869 -0.000000 0.000000 
1 1 1   15   27    1 o  128.556   9.4794   42.009   5.6177   40.219   7.3101   44.591   8.7795  126.054   12.409  131.058   14.334 -5.003632 18.95880 
1 1 1   15   27    2 o  151.459   17.709   74.503   9.7742   78.466   11.273   62.505   19.616  174.391   13.832  128.527   32.606 45.86320 35.41861 
1 1 1   15   27    3 o   66.961   15.776   13.362   5.9049   18.153   8.7890   9.4208   7.9722   76.069   22.869   57.853   21.739 18.21587 31.55243 
1 1 1   15   27    4 o   89.222   15.178   23.899   7.0174   37.811   10.252   11.637   9.6255  116.197   18.879   62.246   23.770 53.95087 30.35515 
1 1 1   15   27    5 o   73.331   13.530   15.457   4.1839   15.817   8.9000   15.355   4.7403   70.458   23.265   76.203   13.819 -5.745850 27.05981 
1 1 1   15   27    6 o  146.714   14.265   60.446   8.0422   64.573   16.180   59.091   9.2682  141.730   25.358  151.699   13.073 -9.968307 28.52929 
1 1 1   15   27    7 o   65.809   13.397   12.927   4.0625   11.349   8.4628   13.400   4.6310   61.118   22.507   70.500   14.538 -9.381870 26.79378 
1 1 1   15   27    8 o  113.008   11.291   27.921   5.2906   51.617   11.105   20.964   6.0173  136.719   17.380   89.297   14.419 47.42229 22.58226 
1 1 1   15   27    9 o   85.883   14.847   24.087   6.0386   17.137   10.595   27.430   7.3491   70.630   25.299  101.135   15.549 -30.50439 29.69479 
1 1 1   15   27   10 o   91.367   15.186   26.627   6.2757   22.415   11.063   28.626   7.6206   79.751   25.919  102.982   15.834 -23.23141 30.37278 
1 1 1   15   27   11 o  153.389   14.573   65.588   8.9151   77.476   18.239   61.856   10.219  153.585   25.411  153.193   14.273 0.3926086 29.14505 
1 1 1   15   27   12 o  107.887   14.385   35.121   6.0220   32.996   11.995   35.836   6.9632   97.807   25.850  117.968   12.630 -20.16064 28.77080 
1 1 1   15   27   13 o  156.656   14.693   69.790   9.3347   80.869   18.549   66.032   10.802  155.936   25.452  157.377   14.687 -1.440842 29.38555 
1 1 1   15   27   14 o   74.347   11.666   20.086   4.7300   1.0589   9.0267   27.288   5.5535   45.098   20.317  103.597   11.470 -58.49874 23.33171 
1 1 1   15   27   15 o   56.256   20.011   9.5397   6.6178   0.0000   0.0000   9.5397   6.6178  ?   ?    56.256   20.011      ?      ? 
1 1 1   15   27   16 o  140.340   12.249   51.766   7.0773   65.012   14.182   47.374   8.1669  146.062   20.776  134.617   12.981 11.44455 24.49775 
1 1 1   15   27   17 o   74.472   13.738   14.962   4.3288   22.381   8.7485   12.556   4.9813   82.715   22.177   66.230   16.222 16.48463 27.47684 
1 1 1   15   27   18 o   53.449   13.512   7.8675   3.8170   9.6184   8.0268   7.3559   4.3389   56.028   21.628   50.869   16.203 5.159142 27.02382 
1 1 1   15   27   19 o   83.884   15.135   25.229   6.7247   13.398   11.394   31.552   8.3302   61.895   25.155  105.873   16.836 -43.97774 30.26933 
1 1 1   15   27   20 o  106.698   19.046   34.056   9.1492   0.0000   0.0000   34.056   9.1492  ?   ?   106.698   19.046      ?      ? 
1 1 1   15   27   21 o   33.036   13.620   1.6691   3.4010   0.0000   0.0000   1.6691   3.4010  ?   ?    33.036   13.620      ?      ? 
1 1 1   15   27   22 o   44.970   15.222   5.6713   3.8067   0.0000   0.0000   5.6713   3.8067  ?   ?    44.970   15.222      ?      ? 
1 1 1   15   27   23 o   64.674   15.320   12.133   4.5593   0.0000   0.0000   12.133   4.5593  ?   ?    64.674   15.320      ?      ? 
1 1 1   15   28    0 o   47.565   14.663   8.4083   4.7861   8.4083   4.7861   8.4083   4.7861   47.565   20.737   47.565   20.737 -0.000000 0.000000 
1 1 1   15   28    1 o  114.265   10.922   35.478   5.8294   34.115   8.1940   36.875   8.2950  111.795   15.683  116.735   15.204 -4.940681 21.84342 
1 1 1   15   28    2 o  103.399   11.078   29.395   5.0507   21.437   6.9831   38.125   7.3138   85.818   17.987  120.979   12.936 -35.16165 22.15509 
1 1 1   15   28    3 o   68.497   10.926   12.803   3.3881   15.675   5.2757   10.788   4.4200   74.966   15.567   62.028   15.334 12.93726 21.85131 
1 1 1   15   28    4 o   48.638   14.121   5.5314   5.1842   3.9513   7.4879   6.9862   7.1847   46.232   19.702   51.043   20.236 -4.810947 28.24250 
1 1 1   15   28    5 o   47.364   13.552   5.0571   4.7081   2.8089   6.4615   7.6016   6.8741   42.733   18.258   51.995   20.030 -9.262016 27.10330 
1 1 1   15   28    6 f   65.719   15.411   14.135   5.5249   14.539   7.6648   13.698   7.9708   66.860   21.560   64.578   22.025 2.282173 30.82153 
1 1 1   15   28    7 o   74.815   14.694   17.202   5.1493   20.032   8.6940   15.673   6.3909   77.570   22.601   72.060   18.785 5.510063 29.38820 
1 1 1   15   28    8 o   42.584   12.021   4.0244   3.2818   3.3215   6.8214   4.2360   3.7436   44.071   18.793   41.097   14.994 2.973999 24.04175 
1 1 1   15   28    9 o   60.470   13.429   10.914   3.8705   11.019   8.3078   10.885   4.3742   58.684   22.161   62.256   15.172 -3.571854 26.85751 
1 1 1   15   28   10 o  115.139   14.899   37.860   7.3158   52.687   13.174   31.250   8.7967  127.856   22.888  102.423   19.079 25.43259 29.79750 
1 1 1   15   28   11 o   96.752   13.774   24.418   5.4520   38.822   10.875   19.582   6.3011  110.893   21.761   82.611   16.890 28.28289 27.54700 
1 1 1   15   28   12 o   77.306   11.675   11.467   3.6999   31.632   8.4914   6.7418   4.1106  105.618   17.203   48.994   15.788 56.62357 23.34957 
1 1 1   15   28   13 o   62.660   12.205   12.969   4.9725  -3.2664   8.8816   20.381   6.0012   39.968   18.758   85.351   15.620 -45.38372 24.40998 
1 1 1   15   28   14 o   83.414   14.158   20.780   4.9431   23.387   10.097   19.958   5.6688   80.593   24.576   86.235   14.066 -5.642410 28.31661 
1 1 1   15   28   15 o   60.852   16.453   10.863   4.7912   0.0000   0.0000   10.863   4.7912  ?   ?    60.852   16.453      ?      ? 
1 1 1   15   28   16 o   51.648   19.090   8.0982   6.0982   0.0000   0.0000   8.0982   6.0982  ?   ?    51.648   19.090      ?      ? 
1 1 1   15   28   17 o   64.160   15.740   12.032   4.6841   0.0000   0.0000   12.032   4.6841  ?   ?    64.160   15.740      ?      ? 
1 1 1   15   28   18 o   93.345   13.171   23.497   5.7457   0.0000   0.0000   23.497   5.7457  ?   ?    93.345   13.171      ?      ? 
1 1 1   15   29    0 o   84.272   10.039   19.036   5.1147   19.036   5.1147   19.036   5.1147   84.272   14.197   84.272   14.197 -0.000000 0.000000 
1 1 1   15   29    1 o   86.481   9.5770   20.215   3.7447   22.659   5.2533   17.690   5.3392   93.321   12.045   79.641   14.893 13.68056 19.15391 
1 1 1   15   29    2 o   75.184   11.545   16.318   3.9394   17.019   5.6654   15.662   5.4815   76.834   16.283   73.534   16.371 3.299805 23.09013 
1 1 1   15   29    3 o   38.439   10.509   3.3532   2.6543   3.8049   4.1062   3.0290   3.4789   40.047   15.466   36.832   14.233 3.214127 21.01830 
1 1 1   15   29    4 f   47.279   11.876   6.2606   3.1992   6.2773   5.5332   6.2522   3.9211   47.519   18.052   47.040   15.438 0.4789772 23.75291 
1 1 1   15   29    5 f   42.167   15.190   4.7222   3.8248   0.0000   0.0000   4.7222   3.8248  ?   ?    42.167   15.190      ?      ? 
1 1 1   15   29    6 o   30.270   13.568  -0.4889   3.9686   0.0000   0.0000  -0.4889   3.9686  ?   ?    30.270   13.568      ?      ? 
1 1 1   15   29    7 o   78.697   23.553   22.486   9.3379   0.0000   0.0000   22.486   9.3379  ?   ?    78.697   23.553      ?      ? 
1 1 1   15   29    8 f   77.262   23.758   22.082   9.4126   0.0000   0.0000   22.082   9.4126  ?   ?    77.262   23.758      ?      ? 
1 1 1   15   29    9 o  115.058   16.064   37.926   8.6381   0.0000   0.0000   37.926   8.6381  ?   ?   115.058   16.064      ?      ? 
1 1 1   15   29   10 o   46.148   17.016   6.1001   4.8395   0.0000   0.0000   6.1001   4.8395  ?   ?    46.148   17.016      ?      ? 
1 1 1   15   29   11 o   91.495   12.530   22.308   5.3577   0.0000   0.0000   22.308   5.3577  ?   ?    91.495   12.530      ?      ? 
1 1 1   16    0    0 f  384.763   21.694  359.016   54.362  359.016   54.362  359.016   54.362  384.763   30.680  384.763   30.680 -0.000000 0.000000 
1 1 1   16    0    1 o  202.118   8.9827   97.212   11.891   97.212   11.891   97.212   11.891  202.118   12.703  202.118   12.703 -0.000000 0.000000 
1 1 1   16    0    2 o   90.397   7.2486   19.899   4.1871   19.899   4.1871   19.899   4.1871   90.397   10.251   90.397   10.251 -0.000000 0.000000 
1 1 1   16    0    3 o  103.372   7.0671   25.763   4.7247   25.763   4.7247   25.763   4.7247  103.372   9.9943  103.372   9.9943 -0.000000 0.000000 
1 1 1   16    0    4 o  133.378   7.3119   42.497   6.3566   42.497   6.3566   42.497   6.3566  133.378   10.341  133.378   10.341 -0.000000 0.000000 
1 1 1   16    0    5 o   61.962   9.2427   10.131   3.3311   10.131   3.3311   10.131   3.3311   61.962   13.071   61.962   13.071 -0.000000 0.000000 
1 1 1   16    0    6 o  118.108   7.2111   33.461   5.5325   33.461   5.5325   33.461   5.5325  118.108   10.198  118.108   10.198 -0.000000 0.000000 
1 1 1   16    0    7 o  208.671   8.9722  103.579   12.269  103.579   12.269  103.579   12.269  208.671   12.689  208.671   12.689 -0.000000 0.000000 
1 1 1   16    0    8 o  228.365   11.034  124.846   16.475  124.846   16.475  124.846   16.475  228.365   15.604  228.365   15.604 -0.000000 0.000000 
1 1 1   16    0    9 o   38.117   12.767   5.0403   3.6505   5.0403   3.6505   5.0403   3.6505   38.117   18.055   38.117   18.055 -0.000000 0.000000 
1 1 1   16    0   10 o  359.158   20.896  319.127   48.830  319.127   48.830  319.127   48.830  359.158   29.551  359.158   29.551 -0.000000 0.000000 
1 1 1   16    0   11 o  305.917   13.763  225.100   27.570  225.100   27.570  225.100   27.570  305.917   19.464  305.917   19.464 -0.000000 0.000000 
1 1 1   16    0   12 o  272.787   15.830  181.374   28.099  181.374   28.099  181.374   28.099  272.787   22.387  272.787   22.387 -0.000000 0.000000 
1 1 1   16    0   13 o   87.283   9.8221   19.245   5.2363   19.245   5.2363   19.245   5.2363   87.283   13.891   87.283   13.891 -0.000000 0.000000 
1 1 1   16    0   14 o   22.605   10.139   0.4261   3.2843   0.4261   3.2843   0.4261   3.2843   22.605   14.339   22.605   14.339 -0.000000 0.000000 
1 1 1   16    0   15 o   98.133   9.8369   24.027   6.0101   24.027   6.0101   24.027   6.0101   98.133   13.911   98.133   13.911 -0.000000 0.000000 
1 1 1   16    0   16 o  215.078   10.837  111.109   15.225  111.109   15.225  111.109   15.225  215.078   15.326  215.078   15.326 -0.000000 0.000000 
1 1 1   16    0   17 o   63.507   12.847   11.599   4.6742   11.599   4.6742   11.599   4.6742   63.507   18.168   63.507   18.168 -0.000000 0.000000 
1 1 1   16    0   18 o   42.072   13.362   6.0865   3.9703   6.0865   3.9703   6.0865   3.9703   42.072   18.897   42.072   18.897 -0.000000 0.000000 
1 1 1   16    0   19 o   93.873   9.1081   21.916   5.3487   21.916   5.3487   21.916   5.3487   93.873   12.881   93.873   12.881 -0.000000 0.000000 
1 1 1   16    0   20 o  104.149   9.0317   26.701   5.9666   26.701   5.9666   26.701   5.9666  104.149   12.773  104.149   12.773 -0.000000 0.000000 
1 1 1   16    0   21 o  103.115   9.0711   26.197   5.9241   26.197   5.9241   26.197   5.9241  103.115   12.828  103.115   12.828 -0.000000 0.000000 
1 1 1   16    0   22 o  123.059   8.4720   36.669   6.7406   36.669   6.7406   36.669   6.7406  123.059   11.981  123.059   11.981 -0.000000 0.000000 
1 1 1   16    0   23 o  151.313   7.3635   54.613   7.2840   54.613   7.2840   54.613   7.2840  151.313   10.414  151.313   10.414 -0.000000 0.000000 
1 1 1   16    0   24 o  190.696   9.6494   87.318   12.019   87.318   12.019   87.318   12.019  190.696   13.646  190.696   13.646 -0.000000 0.000000 
1 1 1   16    0   25 o   99.568   9.3728   24.637   5.8622   24.637   5.8622   24.637   5.8622   99.568   13.255   99.568   13.255 -0.000000 0.000000 
1 1 1   16    0   26 o  216.217   12.401  113.861   17.454  113.861   17.454  113.861   17.454  216.217   17.538  216.217   17.538 -0.000000 0.000000 
1 1 1   16    0   27 o   50.224   15.500   8.6756   5.3476   8.6756   5.3476   8.6756   5.3476   50.224   21.920   50.224   21.920 -0.000000 0.000000 
1 1 1   16    0   28 o   30.443   12.586   2.6783   4.2257   2.6783   4.2257   2.6783   4.2257   30.443   17.800   30.443   17.800 -0.000000 0.000000 
1 1 1   16    0   29 o   64.386   16.899   13.351   6.6808   13.351   6.6808   13.351   6.6808   64.386   23.899   64.386   23.899 -0.000000 0.000000 
1 1 1   16    0   30 o  164.509   11.331   66.173   12.052   66.173   12.052   66.173   12.052  164.509   16.025  164.509   16.025 -0.000000 0.000000 
1 1 1   16    0   31 o   47.932   13.949   7.6680   4.3734   7.6680   4.3734   7.6680   4.3734   47.932   19.727   47.932   19.727 -0.000000 0.000000 
1 1 1   16    0   32 o  198.273   10.970   95.195   14.173   95.195   14.173   95.195   14.173  198.273   15.514  198.273   15.514 -0.000000 0.000000 
1 1 1   16    0   33 o   37.494   15.692   4.0359   6.7123   4.0359   6.7123   4.0359   6.7123   37.494   22.191   37.494   22.191 -0.000000 0.000000 
1 1 1   16    0   34 o   19.648   9.9515  -9.3225   6.0171  -9.3225   6.0171  -9.3225   6.0171   19.648   14.074   19.648   14.074 -0.000000 0.000000 
1 1 1   16    0   35 o   60.421   18.768   12.814   7.8391   12.814   7.8391   12.814   7.8391   60.421   26.542   60.421   26.542 -0.000000 0.000000 
1 1 1   16    0   36 f  281.491   13.080  193.390   24.094  193.390   24.094  193.390   24.094  281.491   18.498  281.491   18.498 -0.000000 0.000000 
1 1 1   16    0   37 o  134.492   13.012   45.892   10.953   45.892   10.953   45.892   10.953  134.492   18.402  134.492   18.402 -0.000000 0.000000 
1 1 1   16    0   38 o   30.707   13.976   0.4843   6.5216   0.4843   6.5216   0.4843   6.5216   30.707   19.764   30.707   19.764 -0.000000 0.000000 
1 1 1   16    0   39 o   32.511   14.508   1.5099   6.6293   1.5099   6.6293   1.5099   6.6293   32.511   20.518   32.511   20.518 -0.000000 0.000000 
1 1 1   16    0   40 o  120.198   13.137   37.281   9.6942   37.281   9.6942   37.281   9.6942  120.198   18.578  120.198   18.578 -0.000000 0.000000 
1 1 1   16    0   41 o   84.990   16.487   21.121   8.0077   21.121   8.0077   21.121   8.0077   84.990   23.316   84.990   23.316 -0.000000 0.000000 
1 1 1   16    0   42 o   22.318   11.011  -5.2742   5.9101  -5.2742   5.9101  -5.2742   5.9101   22.318   15.571   22.318   15.571 -0.000000 0.000000 
1 1 1   16    0   43 o   30.221   14.500  -3.6045   8.6941  -3.6045   8.6941  -3.6045   8.6941   30.221   20.506   30.221   20.506 -0.000000 0.000000 
1 1 1   16    0   44 o   29.547   14.342  -5.0202   9.0502  -5.0202   9.0502  -5.0202   9.0502   29.547   20.283   29.547   20.283 -0.000000 0.000000 
1 1 1   16    0   46 o   43.368   19.129   4.7791   11.170   4.7791   11.170   4.7791   11.170   43.368   27.053   43.368   27.053 -0.000000 0.000000 
1 1 1   16    0   47 o   42.905   17.019   6.7738   7.2787   6.7738   7.2787   6.7738   7.2787   42.905   24.069   42.905   24.069 -0.000000 0.000000 
1 1 1   16    0   48 o   28.518   13.160   0.1332   6.0631   0.1332   6.0631   0.1332   6.0631   28.518   18.611   28.518   18.611 -0.000000 0.000000 
1 1 1   16    0   49 o   63.931   17.783   14.425   7.2102   14.425   7.2102   14.425   7.2102   63.931   25.150   63.931   25.150 -0.000000 0.000000 
1 1 1   16    0   50 o  128.127   11.215   42.109   9.1058   42.109   9.1058   42.109   9.1058  128.127   15.860  128.127   15.860 -0.000000 0.000000 
1 1 1   16    0   51 f   88.236   14.300   22.434   7.2634   22.434   7.2634   22.434   7.2634   88.236   20.224   88.236   20.224 -0.000000 0.000000 
1 1 1   16    0   52 o   45.754   16.092   8.3718   5.8961   8.3718   5.8961   8.3718   5.8961   45.754   22.757   45.754   22.757 -0.000000 0.000000 
1 1 1   16    0   53 o   39.848   15.471   6.4232   5.8679   6.4232   5.8679   6.4232   5.8679   39.848   21.879   39.848   21.879 -0.000000 0.000000 
1 1 1   16    0   54 o   67.864   15.773   15.262   6.2774   15.262   6.2774   15.262   6.2774   67.864   22.306   67.864   22.306 -0.000000 0.000000 
1 1 1   16    0   55 o   32.785   14.080   3.6386   5.6813   3.6386   5.6813   3.6386   5.6813   32.785   19.912   32.785   19.912 -0.000000 0.000000 
1 1 1   16    0   56 o   19.302   9.8621 -10.4430   6.5191 -10.4430   6.5191 -10.4430   6.5191   19.302   13.947   19.302   13.947 -0.000000 0.000000 
1 1 1   16    1    0 o  331.407   13.260  262.792   28.833  262.792   28.833  262.792   28.833  331.407   18.753  331.407   18.753 -0.000000 0.000000 
1 1 1   16    1    1 o  177.210   8.1605   74.194   6.7585   74.442   9.5622   73.947   9.5536  177.508   11.526  176.913   11.555 0.5957642 16.32102 
1 1 1   16    1    2 o  264.638   11.660  166.599   14.296  161.783   18.897  173.044   21.860  260.521   15.521  268.755   17.404 -8.233734 23.31950 
1 1 1   16    1    3 o   87.097   6.9400   17.862   2.8216   16.714   3.9467   19.063   4.0356   84.219   10.027   89.974   9.5972 -5.754730 13.87996 
1 1 1   16    1    4 o  201.892   8.9112   96.539   8.4065   94.408   11.893   98.667   11.884  199.634   12.747  204.150   12.456 -4.515945 17.82246 
1 1 1   16    1    5 o  201.001   8.7221   95.659   8.1897   92.309   11.573   99.019   11.591  197.432   12.543  204.571   12.124 -7.139175 17.44414 
1 1 1   16    1    6 o  265.885   11.493  168.520   14.166  172.510   21.543  165.480   18.804  268.303   17.181  263.468   15.271 4.834595 22.98680 
1 1 1   16    1    7 o  260.292   11.637  163.650   13.936  151.657   21.190  172.790   18.499  251.194   18.050  269.390   14.693 -18.19609 23.27448 
1 1 1   16    1    8 o  227.140   10.511  122.938   11.149  116.446   15.684  129.570   15.851  220.982   15.186  233.298   14.538 -12.31577 21.02292 
1 1 1   16    1    9 o  370.113   18.339  341.274   29.733  345.150   36.448  333.562   51.407  377.125   20.679  363.100   30.294 14.02509 36.67894 
1 1 1   16    1   10 o  177.948   10.153   77.626   7.9175   82.621   9.8361   68.432   13.344  186.957   11.257  168.940   16.901 18.01689 20.30689 
1 1 1   16    1   11 o  161.985   8.7400   62.190   6.6149   61.972   9.4490   62.400   9.2635  161.679   12.505  162.290   12.213 -0.6111298 17.47990 
1 1 1   16    1   12 o  158.143   10.238   58.807   7.4123   63.507   11.914   55.839   9.4677  162.971   15.643  153.316   13.213 9.654892 20.47659 
1 1 1   16    1   13 o   63.947   11.250   9.7791   3.3035   12.447   5.3003   8.0844   4.2244   70.702   16.364   57.191   15.443 13.51142 22.50069 
1 1 1   16    1   14 o  128.449   8.8316   39.169   5.3005   39.066   7.5714   39.269   7.4228  128.260   12.631  128.639   12.347 -0.3792725 17.66318 
1 1 1   16    1   15 o   98.144   8.7422   22.875   4.0079   22.842   5.7555   22.907   5.5844   98.049   12.560   98.238   12.163 -0.1883774 17.48441 
1 1 1   16    1   16 o  303.491   14.779  225.782   20.947  235.561   29.695  216.096   29.554  310.317   20.475  296.664   21.316 13.65363 29.55701 
1 1 1   16    1   17 o  426.444   20.437  466.526   40.706  483.942   57.578  449.123   57.555  435.171   28.311  417.717   29.482 17.45401 40.87431 
1 1 1   16    1   18 o  218.867   11.631  115.797   11.874  108.301   16.841  123.209   16.745  211.559   17.033  226.175   15.842 -14.61613 23.26105 
1 1 1   16    1   19 o  179.352   10.583   78.108   8.6489   73.030   13.578   81.574   11.219  173.792   16.718  184.913   12.982 -11.12036 21.16653 
1 1 1   16    1   20 o  242.438   11.996  142.127   13.591  141.883   19.251  142.370   19.191  242.210   17.006  242.666   16.922 -0.4552307 23.99109 
1 1 1   16    1   21 o  169.710   8.9364   68.566   7.0859   70.517   10.035   66.626   10.007  172.158   12.473  167.262   12.801 4.895920 17.87288 
1 1 1   16    1   22 o   52.971   10.977   6.8793   2.8968   7.3146   4.0377   6.4175   4.1583   54.420   15.259   51.522   15.782 2.898129 21.95305 
1 1 1   16    1   23 o  149.450   9.1426   53.326   6.3776   56.451   9.0316   50.217   9.0071  153.908   12.556  144.992   13.292 8.916550 18.28513 
1 1 1   16    1   24 o  112.473   8.3592   30.305   4.3602   26.352   6.2167   34.132   6.1170  105.056   12.662  119.890   10.917 -14.83412 16.71845 
1 1 1   16    1   25 o  188.942   10.200   85.963   9.0057   87.406   12.747   84.526   12.725  190.568   14.313  187.317   14.536 3.251007 20.39941 
1 1 1   16    1   26 o  207.075   12.667  106.464   11.899   98.515   18.802  111.775   15.367  199.237   20.193  214.913   15.300 -15.67619 25.33465 
1 1 1   16    1   27 o  271.947   13.603  179.639   17.048  199.205   26.894  166.496   22.042  283.311   20.312  260.583   18.099 22.72791 27.20566 
1 1 1   16    1   28 o  248.505   20.426  167.750   21.671  180.144   26.651  143.564   37.229  268.856   21.211  228.155   34.915 40.70073 40.85259 
1 1 1   16    1   29 o  116.737   13.739   37.013   6.6743   44.044   8.4320   25.217   10.921  135.516   13.314   97.958   24.036 37.55769 27.47714 
1 1 1   16    1   30 o  107.847   10.157   27.538   5.0736   32.999   7.7395   23.422   6.7187  117.117   14.140   98.577   14.584 18.53915 20.31308 
1 1 1   16    1   31 o  256.350   21.227  174.796   21.495  169.261   43.017  176.638   24.816  245.289   37.525  267.411   19.856 -22.12224 42.45445 
1 1 1   16    1   32 o  248.054   14.460  151.115   16.494  164.407   26.135  142.316   21.264  255.926   21.851  240.181   18.943 15.74469 28.91911 
1 1 1   16    1   33 o   64.429   13.000   9.5852   3.9646   14.371   6.9171   7.2436   4.8383   74.539   19.597   54.320   17.088 20.21836 26.00079 
1 1 1   16    1   34 o  165.807   10.553   63.699   7.9397   54.653   9.8849   80.146   13.328  150.331   14.069  181.283   15.732 -30.95131 21.10554 
1 1 1   16    1   35 o  132.512   10.958   43.516   6.3365   45.153   7.7901   40.316   10.893  137.278   12.142  127.746   18.245 9.532494 21.91642 
1 1 1   16    1   36 o  125.469   10.816   38.389   6.0740   38.333   7.5841   38.491   10.143  126.118   12.867  124.820   17.388 1.298317 21.63153 
1 1 1   16    1   37 o   69.881   13.594   12.028   5.2742   21.108   7.4323   2.8170   7.4857   90.663   18.174   49.100   20.221 41.56282 27.18788 
1 1 1   16    1   38 o   45.707   12.984   0.7972   4.6066  -4.5091   6.1962   7.3542   6.8878   34.716   16.082   56.698   20.389 -21.98264 25.96804 
1 1 1   16    1   39 o   42.548   12.954   0.3064   4.6711   1.0025   6.5899  -0.3965   6.6220   43.596   18.528   41.500   18.108 2.096523 25.90714 
1 1 1   16    1   40 o   91.921   13.967   22.188   5.8197   20.919   8.0630   23.568   8.4086   89.059   19.876   94.782   19.628 -5.723419 27.93452 
1 1 1   16    1   41 o   97.247   13.720   24.837   6.0138   24.952   8.3614   24.713   8.6558   97.697   18.997   96.798   19.801 0.8994980 27.44043 
1 1 1   16    1   42 o   93.946   13.788   23.333   5.8379   23.469   7.9253   23.173   8.6319   94.732   18.565   93.161   20.392 1.571068 27.57664 
1 1 1   16    1   43 o   37.764   11.993  -4.8955   5.0458 -20.4803   8.9628   2.3357   6.1052   31.293   15.572   44.235   18.245 -12.94291 23.98638 
1 1 1   16    1   44 o  127.648   18.920   42.262   11.287   42.262   11.287   0.0000   0.0000  127.648   18.920  ?   ?       ?      ? 
1 1 1   16    1   45 o   45.312   20.177  -0.8093   8.6240  -0.8093   8.6240   0.0000   0.0000   45.312   20.177  ?   ?       ?      ? 
1 1 1   16    1   46 o   92.503   18.384   25.206   8.4406   31.854   12.271   19.235   11.629  104.406   25.392   80.601   26.593 23.80484 36.76857 
1 1 1   16    1   47 o   48.615   13.631   3.7142   4.8009  -0.0065   6.6228   7.8345   6.9694   41.093   18.014   56.138   20.462 -15.04453 27.26188 
1 1 1   16    1   48 o   65.646   15.421   12.404   5.5962   14.375   7.7258   10.228   8.1173   70.299   21.509   60.994   22.105 9.305130 30.84275 
1 1 1   16    1   49 o   93.642   13.024   23.310   5.3618   20.299   6.7379   28.509   8.8539   86.346   17.300  100.938   19.474 -14.59186 26.04864 
1 1 1   16    1   50 o   68.873   14.688   13.101   5.0315   10.628   6.3856   17.149   8.1714   61.538   19.662   76.209   21.827 -14.67150 29.37692 
1 1 1   16    1   51 o   55.351   13.160   7.3056   4.3432   2.3123   5.6653   14.424   6.7643   41.079   17.304   69.623   19.831 -28.54407 26.31915 
1 1 1   16    1   52 o   52.333   12.798   6.0897   4.1133   1.2881   5.2882   13.445   6.5450   38.012   16.384   66.653   19.664 -28.64132 25.59536 
1 1 1   16    1   53 o   39.246   11.850   1.3394   4.0459   4.5192   5.4658  -2.5146   6.0173   44.263   17.618   34.228   15.854 10.03498 23.70056 
1 1 1   16    1   54 o   62.852   14.300   12.667   4.9394   9.3986   7.5135   15.155   6.5550   55.545   21.051   70.159   19.360 -14.61348 28.59986 
1 1 1   16    1   55 o   67.755   13.451   14.509   4.4543   15.516   6.0093   13.281   6.6360   71.469   18.001   64.040   19.991 7.429214 26.90104 
1 1 1   16    1   56 o   41.454   11.817   2.8784   3.9929   7.7757   5.3704  -3.1749   5.9707   50.401   18.016   32.508   15.296 17.89382 23.63343 
1 1 1   16    2    0 o  129.590   7.2331   40.139   6.1064   40.139   6.1064   40.139   6.1064  129.590   10.229  129.590   10.229 -0.000000 0.000000 
1 1 1   16    2    1 o  202.203   8.7835   96.807   8.2956  100.819   11.754   92.826   11.710  206.427   12.183  197.979   12.656 8.447983 17.56710 
1 1 1   16    2    2 o  230.014   9.5341  125.537   10.248  127.964   14.499  123.115   14.486  232.268   13.357  227.760   13.609 4.508286 19.06825 
1 1 1   16    2    3 o  172.799   8.6267   69.818   6.9192   78.030   10.567   63.653   9.1549  181.544   12.454  164.055   11.940 17.48894 17.25335 
1 1 1   16    2    4 o  101.227   7.4442   24.343   3.4923   22.493   5.1580   25.909   4.7453   97.577   11.311  104.877   9.6815 -7.300476 14.88848 
1 1 1   16    2    5 o  271.213   12.037  174.531   15.155  190.380   23.115  162.582   20.070  281.698   17.558  260.728   16.471 20.97015 24.07408 
1 1 1   16    2    6 o  398.390   20.921  398.191   38.168  404.915   60.331  393.704   49.285  398.354   32.406  398.426   26.468 -0.7202148E-01 41.84190 
1 1 1   16    2    7 o  186.099   9.5883   82.334   8.3188   75.424   11.719   89.353   11.811  178.104   14.079  194.095   13.020 -15.99100 19.17658 
1 1 1   16    2    8 o   65.672   8.3070   10.481   2.4651   11.286   3.3301   9.5046   3.6666   69.167   10.302   62.177   13.035 6.990219 16.61394 
1 1 1   16    2    9 o  173.277   8.7527   71.065   7.0277   70.578   9.3364   71.701   10.675  172.745   11.565  173.810   13.141 -1.065735 17.50533 
1 1 1   16    2   10 o  233.617   11.867  132.494   12.101  135.734   14.809  125.983   20.993  239.083   13.253  228.150   19.689 10.93256 23.73386 
1 1 1   16    2   11 o  216.126   11.580  111.411   11.032  110.425   13.504  113.391   19.126  215.571   13.404  216.682   18.886 -1.110779 23.15968 
1 1 1   16    2   12 f  233.233   13.486  131.606   14.695  128.504   20.840  134.674   20.725  230.380   19.356  236.086   18.784 -5.706268 26.97170 
1 1 1   16    2   13 o  304.062   21.568  233.578   26.204  240.178   52.875  231.430   30.169  300.078   37.703  308.046   20.956 -7.968689 43.13506 
1 1 1   16    2   14 o  240.489   16.918  140.938   16.134  147.407   33.252  138.947   18.451  240.472   29.587  240.506   16.415 -0.3460693E-01 33.83616 
1 1 1   16    2   15 o  313.561   16.374  240.739   23.545  255.432   37.467  231.149   30.269  319.918   25.059  307.203   21.083 12.71439 32.74837 
1 1 1   16    2   16 o  286.568   15.270  199.655   20.090  215.077   31.959  189.579   25.832  294.478   23.222  278.659   19.836 15.81873 30.54005 
1 1 1   16    2   17 o  184.894   11.401   82.508   9.5365   81.681   15.504   83.011   12.095  183.432   18.085  186.356   13.888 -2.923492 22.80223 
1 1 1   16    2   18 o  148.831   10.321   51.885   6.8970   57.577   11.723   48.871   8.5295  154.475   16.238  143.188   12.746 11.28773 20.64279 
1 1 1   16    2   19 o  318.198   17.453  253.873   25.358  257.085   40.370  251.779   32.590  317.453   27.210  318.943   21.864 -1.489685 34.90633 
1 1 1   16    2   20 o  263.971   13.777  169.519   16.618  173.473   26.518  166.962   21.324  265.325   21.386  262.617   17.374 2.707703 27.55362 
1 1 1   16    2   21 o  129.518   10.363   39.452   6.0814   43.134   10.081   37.346   7.6251  133.851   16.115  125.185   13.033 8.666245 20.72616 
1 1 1   16    2   22 o  160.779   10.949   62.525   7.9783   60.457   12.831   63.828   10.187  158.016   17.374  163.541   13.329 -5.524612 21.89795 
1 1 1   16    2   23 o  112.117   11.980   27.588   5.4740   36.635   11.465   24.916   6.2300  122.084   20.094  102.149   13.050 19.93458 23.95970 
1 1 1   16    2   24 o  148.402   8.4771   52.486   5.8653   47.856   8.2075   57.319   8.3850  141.612   12.401  155.193   11.561 -13.58122 16.95420 
1 1 1   16    2   25 o  139.932   10.477   46.866   6.7024   49.065   10.744   45.464   8.5757  142.178   16.169  137.686   13.327 4.492249 20.95327 
1 1 1   16    2   26 f  104.532   12.955   25.365   5.2666   31.125   11.135   23.705   5.9775  109.591   22.494   99.473   12.858 10.11752 25.90947 
1 1 1   16    2   27 o  145.257   10.750   51.001   7.2968   50.239   10.245   51.786   10.395  144.154   15.208  146.360   15.197 -2.206696 21.49910 
1 1 1   16    2   28 o  152.818   13.970   61.732   8.2545   65.890   9.7031   50.841   15.704  166.013   12.506  139.624   24.984 26.38817 27.93907 
1 1 1   16    2   29 o  153.659   14.883   63.830   9.4444   76.098   12.056   44.346   15.194  177.696   14.518  129.621   25.986 48.07521 29.76666 
1 1 1   16    2   30 o  144.615   16.750   54.933   10.033   49.661   17.767   57.401   12.156  135.710   28.899  153.520   16.943 -17.80966 33.49976 
1 1 1   16    2   31 o  193.659   13.632   86.602   10.850  105.088   21.998   80.659   12.473  204.335   23.035  182.983   14.585 21.35229 27.26447 
1 1 1   16    2   32 o   95.299   9.4885   21.887   4.2143   23.195   5.8806   20.505   6.0424   98.356   12.793   92.242   14.016 6.113319 18.97695 
1 1 1   16    2   33 o  187.134   9.0697   84.246   7.8920   73.572   10.979   95.656   11.352  174.600   13.455  199.667   12.165 -25.06708 18.13940 
1 1 1   16    2   34 o  261.897   11.524  168.210   14.000  144.824   19.704  192.057   19.897  242.660   17.374  281.134   15.143 -38.47369 23.04744 
1 1 1   16    2   35 o  100.345   9.7849   24.189   4.5768   22.583   6.2080   26.102   6.7741   96.739   13.731  103.951   13.944 -7.211182 19.56971 
1 1 1   16    2   36 f  145.161   9.2628   47.731   6.0691   39.126   7.4906   64.175   10.355  127.474   12.573  162.848   13.605 -35.37389 18.52560 
1 1 1   16    2   37 o  132.083   12.286   43.284   7.5721   40.182   10.579   46.543   10.843  127.031   17.819  137.134   16.919 -10.10253 24.57149 
1 1 1   16    2   38 o   50.503   14.079   4.3721   4.8843   4.5150   6.6572   4.2054   7.1882   50.240   19.612   50.766   20.204 -0.5260201 28.15723 
1 1 1   16    2   39 o  120.262   12.565   36.175   7.0585   34.833   9.8198   37.611   10.153  117.934   17.816  122.590   17.722 -4.656090 25.12926 
1 1 1   16    2   40 o  121.664   11.547   37.324   6.2920   38.952   7.9752   34.639   10.240  126.385   13.502  116.944   18.736 9.441231 23.09439 
1 1 1   16    2   41 f   64.141   13.312   8.6489   4.5067   3.2750   5.6122   18.406   7.5622   45.015   17.872   83.268   19.734 -38.25283 26.62436 
1 1 1   16    2   42 o   77.075   14.827   16.111   5.5214   18.088   7.6172   13.922   8.0149   82.256   20.007   71.895   21.889 10.36060 29.65492 
1 1 1   16    2   43 o  130.792   16.411   46.451   9.1847   46.017   15.784   46.674   11.294  126.109   27.552  135.474   17.838 -9.365234 32.82181 
1 1 1   16    2   44 o   93.778   18.637   23.367   7.8801   23.367   7.8801   0.0000   0.0000   93.778   18.637  ?   ?       ?      ? 
1 1 1   16    2   45 o   70.553   21.206   13.796   7.5576   13.796   7.5576   0.0000   0.0000   70.553   21.206  ?   ?       ?      ? 
1 1 1   16    2   46 o   77.428   15.168   16.888   5.7563   13.837   8.4669   19.509   7.8494   70.483   22.653   84.373   20.178 -13.88965 30.33698 
1 1 1   16    2   47 o  129.763   13.588   45.181   7.9460   37.777   11.147   52.830   11.330  116.667   21.227  142.860   16.969 -26.19310 27.17580 
1 1 1   16    2   48 o   48.155   14.063   3.9242   5.1392   3.1775   7.1112   4.7406   7.4354   46.539   19.483   49.771   20.285 -3.231945 28.12585 
1 1 1   16    2   49 o   38.743   12.364  -2.8009   4.9049  -7.2073   6.7717   2.0625   7.1142   32.754   15.662   44.732   19.137 -11.97778 24.72896 
1 1 1   16    2   50 o   62.640   14.109   11.261   4.6558   12.266   5.8735   9.5619   7.6370   66.201   18.348   59.079   21.437 7.121792 28.21705 
1 1 1   16    2   51 o   89.114   13.132   20.850   5.3262   14.042   6.6494   33.037   8.8968   68.656   19.697  109.572   17.374 -40.91541 26.26438 
1 1 1   16    2   52 o   58.768   14.865   10.347   5.3136   13.348   7.4397   7.2213   7.5917   65.210   21.258   52.326   20.783 12.88411 29.72952 
1 1 1   16    2   53 o   59.792   13.871   11.231   4.6062   13.031   5.8862   8.3879   7.3983   65.872   18.408   53.713   20.755 12.15961 27.74226 
1 1 1   16    2   54 o   49.687   13.900   6.4788   4.7990   8.0599   6.9860   5.0660   6.6037   52.721   20.222   46.654   19.077 6.066513 27.80067 
1 1 1   16    2   55 o   31.881   10.466  -3.1363   3.9056   0.3763   5.1834  -7.7494   5.9402   35.319   15.690   28.444   13.857 6.874924 20.93268 
1 1 1   16    3    0 o  137.225   7.3879   44.965   6.6113   44.965   6.6113   44.965   6.6113  137.225   10.448  137.225   10.448 -0.000000 0.000000 
1 1 1   16    3    1 o  120.947   8.3122   34.087   4.5186   36.406   7.6083   32.824   5.6163  123.900   13.139  117.994   10.185 5.906441 16.62445 
1 1 1   16    3    2 f  161.456   8.5363   62.240   6.3478   57.927   9.6378   65.545   8.4360  156.275   13.196  166.637   10.832 -10.36191 17.07266 
1 1 1   16    3    3 o  243.577   10.979  141.407   12.379  142.561   18.875  140.536   16.398  244.109   16.545  243.045   14.437 1.063995 21.95795 
1 1 1   16    3    4 o  162.874   8.8769   62.845   6.7569   62.842   9.5837   62.847   9.5279  162.864   12.591  162.884   12.516 -0.2030945E-01 17.75377 
1 1 1   16    3    5 o  239.636   11.703  137.437   13.105  139.363   18.534  135.511   18.533  241.356   16.431  237.917   16.668 3.438736 23.40523 
1 1 1   16    3    6 o  246.171   11.610  145.031   13.354  141.906   18.917  148.135   18.853  243.454   16.626  248.889   16.208 -5.435287 23.21910 
1 1 1   16    3    7 o  187.793   11.511   84.441   10.091   80.095   14.292   88.761   14.250  182.849   16.725  192.736   15.820 -9.887161 23.02152 
1 1 1   16    3    8 o  188.716   10.042   84.868   8.8421   89.541   12.431   80.082   12.579  194.099   13.704  183.332   14.682 10.76668 20.08356 
1 1 1   16    3    9 o  137.493   8.6826   45.124   5.5122   53.100   7.8004   37.168   7.7905  149.889   11.135  125.098   13.325 24.79048 17.36529 
1 1 1   16    3   10 o  211.786   10.543  106.998   10.435  108.222   14.781  105.781   14.735  213.012   14.847  210.560   14.974 2.452087 21.08685 
1 1 1   16    3   11 o  227.508   11.156  123.832   11.861  126.609   16.851  121.105   16.697  230.072   15.672  224.945   15.882 5.126587 22.31259 
1 1 1   16    3   12 o  228.265   14.269  126.706   15.215  123.535   21.643  129.805   21.393  225.273   20.558  231.257   19.794 -5.984436 28.53824 
1 1 1   16    3   13 o  170.363   14.440   67.057   10.829   81.890   19.524   60.465   13.015  182.358   22.909  158.368   17.585 23.99052 28.87966 
1 1 1   16    3   14 o  153.180   9.7672   55.862   6.8698   56.408   10.785   55.490   8.9116  153.526   15.031  152.833   12.477 0.6930084 19.53447 
1 1 1   16    3   15 o  157.278   9.3503   58.930   6.8725   59.231   9.7734   58.635   9.6659  157.667   13.264  156.889   13.183 0.7774658 18.70053 
1 1 1   16    3   16 o  252.288   12.147  153.846   14.322  155.577   20.282  152.126   20.225  253.739   17.104  250.837   17.253 2.902069 24.29388 
1 1 1   16    3   17 o  208.235   10.108  103.980   9.8236   99.571   14.039  108.211   13.751  203.742   14.744  212.727   13.831 -8.985535 20.21596 
1 1 1   16    3   18 o  203.268   10.254   99.039   9.7290  105.793   13.909   92.569   13.613  210.171   14.161  196.365   14.834 13.80565 20.50797 
1 1 1   16    3   19 o  123.790   9.2117   36.579   5.3246   35.164   7.5735   37.963   7.4876  121.356   13.353  126.224   12.693 -4.868027 18.42341 
1 1 1   16    3   20 o  261.229   12.834  166.261   15.309  168.833   19.774  162.412   24.189  264.858   15.975  257.601   20.092 7.256012 25.66865 
1 1 1   16    3   21 o   98.075   9.5231   23.517   4.1387   17.364   5.7962   29.917   5.9113   83.833   15.360  112.318   11.261 -28.48483 19.04617 
1 1 1   16    3   22 o   38.599   10.503   2.4798   2.6312   2.8773   3.3263   1.8152   4.3010   38.472   14.119   38.726   15.555 -0.2543335 21.00693 
1 1 1   16    3   23 o   98.975   9.8235   23.812   4.4506   21.488   6.8134   25.542   5.8779   94.410   15.442  103.540   12.147 -9.129288 19.64698 
1 1 1   16    3   24 o  135.416   13.848   44.997   7.0410   46.986   14.951   44.430   7.9815  134.454   24.703  136.378   12.523 -1.923431 27.69589 
1 1 1   16    3   25 o  111.181   13.109   30.419   5.7650   31.670   11.433   29.992   6.6760  110.436   22.902  111.927   12.763 -1.490517 26.21831 
1 1 1   16    3   26 o  259.739   19.679  173.604   22.536  184.294   39.124  168.296   27.569  261.163   32.055  258.316   22.837 2.846710 39.35759 
1 1 1   16    3   27 o  134.843   11.944   44.459   7.4738   42.585   11.097   46.014   10.111  131.859   18.007  137.827   15.697 -5.967667 23.88825 
1 1 1   16    3   28 o  314.050   18.818  255.074   27.472  283.692   38.957  226.765   38.746  333.355   25.005  294.745   28.128 38.60944 37.63570 
1 1 1   16    3   29 o  274.787   20.010  187.624   24.609  233.485   42.795  164.968   30.080  295.725   30.965  253.848   25.355 41.87724 40.02070 
1 1 1   16    3   30 o  181.511   11.189   79.785   9.4855   75.962   13.311   83.731   13.521  176.983   16.092  186.038   15.551 -9.055054 22.37862 
1 1 1   16    3   31 o   86.417   10.328   18.183   4.0818   19.570   5.9574   16.955   5.6038   90.196   14.133   82.639   15.065 7.556999 20.65618 
1 1 1   16    3   32 o  154.317   9.4275   57.289   6.7965   56.672   9.4608   57.948   9.7699  153.506   13.187  155.128   13.476 -1.621918 18.85495 
1 1 1   16    3   33 o  118.664   10.906   35.468   5.6780   38.279   7.1102   30.518   9.4333  126.335   12.042  110.993   18.186 15.34223 21.81144 
1 1 1   16    3   34 o  143.549   12.236   50.113   6.7475   49.732   7.6257   51.488   14.482  144.312   11.307  142.785   21.703 1.527512 24.47146 
1 1 1   16    3   35 o   87.209   14.724   17.600   4.8702   16.256   5.3831   23.660   11.432   80.716   14.816   93.701   25.449 -12.98463 29.44741 
1 1 1   16    3   36 o   76.849   10.978   11.289   3.4699   7.8472   3.9262   23.570   7.4166   55.765   14.814   97.933   16.204 -42.16808 21.95520 
1 1 1   16    3   37 o  152.036   9.6265   56.171   6.8278   52.528   9.6670   59.798   9.6451  146.913   14.080  157.159   13.132 -10.24582 19.25306 
1 1 1   16    3   38 o   73.459   13.752   13.423   4.6465   11.373   5.7687   17.210   7.8405   66.289   18.108   80.630   20.701 -14.34126 27.50311 
1 1 1   16    3   39 o  193.168   13.677   94.834   12.281  105.852   17.437   83.987   17.300  205.213   18.181  181.122   20.438 24.09167 27.35459 
1 1 1   16    3   40 f   51.915   13.446   4.6858   4.1344   2.2102   5.0206   9.9020   7.2877   41.235   16.720   62.595   21.062 -21.35961 26.89151 
1 1 1   16    3   41 o  155.923   12.058   63.024   8.3286   69.338   10.636   53.014   13.391  168.367   13.517  143.478   19.971 24.88924 24.11510 
1 1 1   16    3   42 o   76.805   13.604   15.682   5.6397   24.950   7.7232   5.0938   8.2548   99.739   16.569   53.872   21.581 45.86710 27.20753 
1 1 1   16    3   43 o   49.514   13.768   3.3838   5.3296   8.6064   6.3367  -9.2433   9.8530   58.324   19.639   40.704   19.301 17.61913 27.53596 
1 1 1   16    3   44 o   38.498   17.542  -2.9003   6.9628  -2.9003   6.9628   0.0000   0.0000   38.498   17.542  ?   ?       ?      ? 
1 1 1   16    3   45 o   77.324   22.697   16.951   8.7394   16.951   8.7394   0.0000   0.0000   77.324   22.697  ?   ?       ?      ? 
1 1 1   16    3   46 o  159.593   12.854   66.344   9.5331   68.488   12.992   63.843   14.032  163.389   17.014  155.798   19.272 7.591461 25.70713 
1 1 1   16    3   47 o  126.261   17.577   46.164   9.5671   47.653   16.607   45.424   11.704  122.091   29.447  130.432   19.201 -8.341850 35.15368 
1 1 1   16    3   48 o  122.823   11.679   38.289   6.5232   33.805   8.1679   46.186   10.839  114.234   15.299  131.412   17.649 -17.17778 23.35719 
1 1 1   16    3   49 o   60.666   15.541   9.9511   5.6929   8.0471   7.7684   12.160   8.3667   56.348   21.393   64.983   22.549 -8.634819 31.08253 
1 1 1   16    3   50 o  160.875   15.834   77.189   10.542  108.173   14.865   45.841   14.952  203.299   15.645  118.451   27.532 84.84818 31.66717 
1 1 1   16    3   51 o   95.626   13.796   27.521   6.3815   11.965   8.8365   44.477   9.2255   62.081   22.973  129.171   15.282 -67.08952 27.59162 
1 1 1   16    3   52 o   65.253   14.829   12.853   4.9425   11.528   6.0961   15.395   8.4435   61.961   19.131   68.546   22.662 -6.585522 29.65704 
1 1 1   16    3   53 o   55.855   14.345   8.6044   4.7038   5.9875   5.8409   13.434   7.9344   47.785   18.448   63.925   21.971 -16.13955 28.68932 
1 1 1   16    3   54 o   44.774   13.112   3.0202   4.8646   8.2931   6.7472  -2.6876   7.0199   53.055   19.986   36.493   16.978 16.56180 26.22431 
1 1 1   16    3   55 o   43.773   13.076   2.9992   5.0111   7.9421   6.6774  -3.3737   7.5820   51.122   19.728   36.424   17.168 14.69746 26.15267 
1 1 1   16    4    0 o  213.445   13.456  110.619   18.636  110.619   18.636  110.619   18.636  213.445   19.030  213.445   19.030 -0.000000 0.000000 
1 1 1   16    4    1 o  172.556   10.546   72.006   8.2486   75.891   10.635   66.141   13.068  178.940   12.717  166.172   16.827 12.76718 21.09192 
1 1 1   16    4    2 o  108.488   8.5530   27.331   4.2560   25.293   5.4372   30.555   6.8386  103.460   11.245  113.516   12.890 -10.05565 17.10596 
1 1 1   16    4    3 o  180.443   10.162   77.615   8.0697   77.889   9.8905   77.070   13.957  181.476   11.662  179.410   16.646 2.066284 20.32417 
1 1 1   16    4    4 o  236.092   12.336  135.141   12.741  137.817   15.605  129.789   22.068  240.787   13.867  231.396   20.406 9.391739 24.67222 
1 1 1   16    4    5 o  247.701   11.971  147.104   13.855  150.636   19.595  143.573   19.591  250.751   16.721  244.651   17.135 6.100220 23.94146 
1 1 1   16    4    6 o  293.786   13.113  208.189   17.974  194.171   25.389  222.272   25.448  283.564   19.158  304.009   17.911 -20.44507 26.22688 
1 1 1   16    4    7 o  264.123   12.685  167.837   15.656  165.202   22.106  170.489   22.177  261.994   18.054  266.252   17.823 -4.257996 25.36908 
1 1 1   16    4    8 o  218.087   11.576  114.699   11.069  111.542   19.163  116.280   13.559  214.866   19.084  221.308   13.110 -6.441589 23.15281 
1 1 1   16    4    9 o  225.827   9.6620  121.525   10.158  109.129   14.331  134.041   14.400  214.035   14.327  237.619   12.967 -23.58458 19.32391 
1 1 1   16    4   10 o  189.944   8.8180   85.178   7.7648   82.587   10.281   88.620   11.848  186.748   11.779  193.139   13.125 -6.391632 17.63604 
1 1 1   16    4   11 f  212.198   9.8722  107.249   9.6889  107.203   12.819  107.310   14.797  212.437   12.912  211.959   14.937 0.4781036 19.74446 
1 1 1   16    4   12 o  318.660   16.392  247.060   24.035  232.144   31.011  269.500   38.036  307.913   21.550  329.408   24.707 -21.49506 32.78446 
1 1 1   16    4   13 o  169.153   11.933   69.469   9.3143   81.344   13.125   57.421   13.220  184.301   15.238  154.004   18.368 30.29761 23.86596 
1 1 1   16    4   14 o   65.302   11.756   10.418   3.6217   8.0275   4.8460   13.442   5.4508   57.207   16.932   73.397   16.314 -16.18960 23.51244 
1 1 1   16    4   15 o  129.501   9.3922   40.290   5.5948   38.115   8.5732   41.904   7.3838  126.176   14.539  132.826   11.895 -6.650017 18.78438 
1 1 1   16    4   16 o  137.388   9.7575   45.530   6.1269   43.000   9.5708   47.286   7.9753  133.768   15.309  141.008   12.102 -7.239975 19.51494 
1 1 1   16    4   17 o  181.599   10.014   79.246   8.4546   88.224   11.942   70.226   11.971  192.208   13.295  170.991   14.980 21.21745 20.02867 
1 1 1   16    4   18 o  142.257   9.0897   48.341   6.0258   52.412   8.5140   44.255   8.5296  148.394   12.277  136.120   13.408 12.27443 18.17937 
1 1 1   16    4   19 o  122.770   9.1419   36.014   5.2235   39.666   7.3793   32.346   7.3950  129.151   12.226  116.389   13.595 12.76244 18.28374 
1 1 1   16    4   20 o  134.377   9.5366   41.658   5.8508   56.844   9.1658   31.215   7.6008  154.521   12.692  114.233   14.237 40.28763 19.07327 
1 1 1   16    4   21 o  296.869   14.314  215.593   19.448  218.703   30.819  213.535   25.070  297.238   22.185  296.500   18.092 0.7383423 28.62706 
1 1 1   16    4   22 o  126.801   10.151   39.841   5.7798   44.851   7.5417   32.710   8.9971  137.324   11.751  116.277   16.556 21.04723 20.30289 
1 1 1   16    4   23 o   82.603   10.241   16.766   3.8154   20.459   5.4605   13.242   5.3335   92.557   12.624   72.649   16.129 19.90719 20.48160 
1 1 1   16    4   24 o  255.239   14.344  166.078   16.426  139.983   25.747  183.989   21.330  235.415   23.402  275.062   16.593 -39.64651 28.68745 
1 1 1   16    4   25 o  198.054   18.407   96.396   17.038   0.0000   0.0000   96.396   17.038  ?   ?   198.054   18.407      ?      ? 
1 1 1   16    4   26 o  237.520   14.827  142.197   15.949  182.864   22.783  103.117   22.334  273.294   17.838  201.745   23.688 71.54823 29.65326 
1 1 1   16    4   27 o  161.839   11.910   63.675   8.9955   68.505   12.971   59.199   12.486  167.862   16.534  155.817   17.146 12.04492 23.81930 
1 1 1   16    4   28 o  174.842   12.773   74.963   10.426   71.504   14.809   78.362   14.680  170.609   18.573  179.076   17.540 -8.467041 25.54640 
1 1 1   16    4   29 o   78.394   13.823   18.528   4.8648   21.658   5.4255   5.6908   10.987   95.232   12.190   61.555   24.813 33.67758 27.64575 
1 1 1   16    4   30 o  100.754   17.653   26.607   8.3808   20.308   11.553   33.603   12.176   87.878   26.175  113.631   23.695 -25.75311 35.30684 
1 1 1   16    4   31 o  172.878   12.347   73.626   9.8945   81.164   13.709   65.431   14.295  182.781   16.049  162.974   18.768 19.80714 24.69419 
1 1 1   16    4   32 o  196.130   15.716   93.671   13.822  112.877   23.838   83.943   16.965  209.005   24.405  183.254   19.809 25.75053 31.43189 
1 1 1   16    4   33 o  142.423   10.801   50.187   6.8877   52.609   8.7269   46.185   11.216  147.960   12.620  136.886   17.533 11.07373 21.60242 
1 1 1   16    4   34 o   73.148   10.828   13.151   3.5620   10.951   4.6853   16.164   5.4833   65.871   15.481   80.425   15.144 -14.55433 21.65655 
1 1 1   16    4   35 o   48.565   10.686   6.1291   2.9935   8.5859   3.4609  -1.1687   5.9650   58.622   12.976   38.508   16.982 20.11315 21.37173 
1 1 1   16    4   36 o   57.800   11.317   7.8207   3.0576   6.1558   3.7566   11.088   5.2626   49.831   14.945   65.769   16.998 -15.93753 22.63355 
1 1 1   16    4   37 o   71.959   12.211   13.400   4.0649   14.777   5.6329   11.904   5.8718   76.095   16.328   67.823   18.162 8.271927 24.42273 
1 1 1   16    4   38 o  118.190   13.537   35.768   7.2744   39.258   10.257   32.237   10.318  125.417   17.499  110.963   20.658 14.45432 27.07303 
1 1 1   16    4   39 o  175.928   11.801   78.372   9.3070   82.735   11.858   71.374   15.019  184.127   13.780  167.728   19.160 16.39938 23.60115 
1 1 1   16    4   40 o   66.044   13.274   12.436   4.6867   16.329   5.6200   3.5451   8.4928   80.054   15.582   52.035   21.495 28.01886 26.54899 
1 1 1   16    4   41 o  121.046   17.474   38.103   9.0620   48.882   16.150   33.150   10.948  131.057   27.256  111.035   21.875 20.02177 34.94863 
1 1 1   16    4   42 o   81.464   14.111   16.292   5.5817   8.5036   7.1590   28.367   8.9139   58.941   20.829  103.987   19.044 -45.04593 28.22285 
1 1 1   16    4   43 o   69.378   17.373   12.315   6.3630   12.196   7.2381   12.717   13.350   67.402   20.852   71.354   27.795 -3.952065 34.74688 
1 1 1   16    4   44 o  102.854   14.979   26.577   7.2001   26.577   7.2001   0.0000   0.0000  102.854   14.979  ?   ?       ?      ? 
1 1 1   16    4   45 f  138.810   13.243   44.648   7.6826   38.358   8.8317   64.213   15.576  123.398   15.314  154.223   21.610 -30.82430 26.48599 
1 1 1   16    4   46 o   41.339   12.294  -0.0801   4.4742   5.1681   5.9667  -6.8224   6.7629   49.114   18.725   33.564   15.937 15.54992 24.58843 
1 1 1   16    4   47 o   95.592   13.829   24.655   6.0730   18.861   8.1387   31.933   9.1221   81.163   21.218  110.022   17.741 -28.85878 27.65761 
1 1 1   16    4   48 o   46.056   13.118   2.9172   4.3840  -0.1780   5.6219   7.7195   7.0027   37.374   16.484   54.737   20.412 -17.36271 26.23667 
1 1 1   16    4   49 o   48.673   13.785   3.5396   5.0651   8.7473   7.2749  -1.3596   7.0562   57.457   20.911   39.889   17.968 17.56716 27.57034 
1 1 1   16    4   50 o   49.468   13.444   5.6933   4.5876   8.3770   5.9246   1.6745   7.2500   55.084   18.983   43.852   19.042 11.23180 26.88767 
1 1 1   16    4   51 o   46.178   13.295   3.3886   4.8724   8.3695   6.7503  -2.0290   7.0401   54.418   20.090   37.938   17.418 16.48008 26.58985 
1 1 1   16    4   52 o   32.467   10.817  -4.4553   4.2979  -7.0199   6.3238  -2.2537   5.8591   30.710   14.801   34.223   15.778 -3.513157 21.63362 
1 1 1   16    4   53 o   34.759   11.472  -3.2175   4.5740  -1.8208   6.7368  -4.4121   6.2301   36.838   16.960   32.681   15.452 4.156860 22.94349 
1 1 1   16    4   54 o   60.316   14.803   11.525   5.3790   6.8924   7.6333   16.094   7.5811   50.606   20.581   70.026   21.282 -19.42017 29.60545 
1 1 1   16    4   55 o   36.659   11.775  -0.2053   4.2779  -0.6145   5.4509   0.4509   6.9030   34.328   15.595   38.991   17.648 -4.663509 23.55088 
1 1 1   16    5    0 o  107.078   8.5484   27.969   5.8512   27.969   5.8512   27.969   5.8512  107.078   12.089  107.078   12.089 -0.000000 0.000000 
1 1 1   16    5    1 o  128.255   8.1463   38.903   4.8803   40.565   6.9361   37.273   6.8680  130.993   11.330  125.516   11.708 5.477249 16.29253 
1 1 1   16    5    2 o  220.726   10.944  116.389   11.280  121.536   15.952  111.240   15.954  225.717   15.122  215.735   15.824 9.981766 21.88736 
1 1 1   16    5    3 o  138.594   16.700   60.173   8.1560   70.407   9.3818   28.505   16.503  172.515   11.636  104.673   31.307 67.84250 33.39976 
1 1 1   16    5    4 o  230.582   13.639  128.499   14.695  125.564   20.731  131.463   20.834  227.865   19.467  233.300   19.108 -5.435394 27.27787 
1 1 1   16    5    5 o  261.270   12.202  164.071   14.874  153.309   21.018  174.867   21.053  252.448   17.815  270.091   16.678 -17.64307 24.40379 
1 1 1   16    5    6 o  196.000   10.294   91.554   9.4289   91.789   13.282   91.315   13.387  196.274   14.480  195.726   14.635 0.5486145 20.58790 
1 1 1   16    5    7 o  175.067   8.4641   71.400   6.8659   63.233   9.0283   82.601   10.574  163.419   11.821  186.714   12.117 -23.29489 16.92820 
1 1 1   16    5    8 o  185.549   9.0019   81.497   7.7291   80.218   10.203   83.220   11.840  184.034   11.863  187.065   13.543 -3.031006 18.00384 
1 1 1   16    5    9 o  366.484   15.479  332.714   26.000  354.756   34.396  303.328   39.714  382.713   19.230  350.256   24.261 32.45639 30.95836 
1 1 1   16    5   10 o  189.645   8.4124   85.254   7.4539   82.695   10.511   87.842   10.572  186.749   12.044  192.540   11.748 -5.791061 16.82482 
1 1 1   16    5   11 o  116.964   7.9930   32.502   4.2749   32.922   5.5255   31.876   6.7472  118.076   10.013  115.853   12.462 2.223343 15.98599 
1 1 1   16    5   12 o  121.361   8.2854   34.918   4.6936   32.627   6.5677   37.309   6.7101  117.253   11.985  125.468   11.443 -8.215141 16.57089 
1 1 1   16    5   13 o  202.214   11.542   99.473   10.621  103.590   13.737   93.351   16.748  208.219   14.116  196.210   18.264 12.00874 23.08350 
1 1 1   16    5   14 o  159.319   16.650   67.030   10.762   55.743   19.124   72.262   13.020  145.385   29.161  173.253   16.080 -27.86842 33.30058 
1 1 1   16    5   15 o  211.378   12.485  108.186   12.104  109.324   19.053  107.416   15.673  211.570   19.269  211.186   15.880 0.3836212 24.96963 
1 1 1   16    5   16 o  175.204   9.4558   73.302   7.7412   71.459   10.851   75.213   11.047  172.947   13.425  177.461   13.320 -4.514069 18.91155 
1 1 1   16    5   17 o  150.887   8.7096   54.280   6.1275   58.341   8.6522   50.194   8.6791  156.667   11.817  145.106   12.798 11.56189 17.41926 
1 1 1   16    5   18 o  125.604   8.3112   37.518   4.8588   33.385   6.8192   41.781   6.9249  118.468   12.317  132.740   11.163 -14.27190 16.62235 
1 1 1   16    5   19 o  255.674   13.315  159.291   15.522  160.151   19.942  157.969   24.723  257.703   16.558  253.645   20.856 4.057999 26.62923 
1 1 1   16    5   20 o  202.533   12.553  101.497   11.454  108.668   14.735   90.550   18.207  212.876   14.811  192.190   20.270 20.68599 25.10511 
1 1 1   16    5   21 o  187.895   10.574   84.609   9.0721   83.741   11.632   85.956   14.494  187.214   13.295  188.577   16.446 -1.363419 21.14810 
1 1 1   16    5   22 o  124.353   9.9657   35.936   5.6987   30.087   7.3294   44.876   9.0618  111.985   14.005  136.720   14.182 -24.73507 19.93133 
1 1 1   16    5   23 o  121.680   18.396   38.999   10.129   36.654   13.826   41.715   14.881  117.743   25.836  125.617   26.196 -7.872955 36.79282 
1 1 1   16    5   24 o   83.942   17.448   17.720   7.5927   25.823   11.222   10.878   10.311   98.920   24.421   68.964   24.927 29.95558 34.89555 
1 1 1   16    5   25 o  105.021   15.938   28.253   7.5350   25.553   9.9439   31.894   11.547   99.296   22.006  110.747   23.059 -11.45103 31.87509 
1 1 1   16    5   26 o   65.389   16.535   9.7443   6.4199   11.091   8.5293   7.9837   9.7510   67.643   22.785   63.134   23.969 4.508415 33.07066 
1 1 1   16    5   27 o  149.285   10.825   53.765   7.3159   53.403   9.2597   54.367   11.935  149.238   13.276  149.332   17.101 -0.9330750E-01 21.64928 
1 1 1   16    5   28 o  167.123   10.332   65.292   7.9277   56.761   10.121   78.838   12.753  153.603   14.099  180.643   15.106 -27.04070 20.66303 
1 1 1   16    5   29 o   62.538   11.076   8.0118   2.8202   6.3499   3.1835   14.073   6.0797   50.568   13.295   74.507   17.719 -23.93907 22.15170 
1 1 1   16    5   30 o   73.839   9.9669   11.360   3.1276   8.5536   3.6490   19.132   6.0719   58.581   13.591   89.096   14.582 -30.51485 19.93382 
1 1 1   16    5   31 o  188.224   10.015   82.539   8.6333   70.800   10.955  101.782   14.025  171.396   13.676  205.051   14.636 -33.65465 20.03059 
1 1 1   16    5   32 o  205.113   10.848  102.513   10.390  102.371   14.394  102.669   15.012  205.143   15.014  205.084   15.663 0.5839539E-01 21.69660 
1 1 1   16    5   33 f  137.872   9.5695   45.761   6.1565   44.858   8.4417   46.788   8.9982  136.513   13.232  139.231   13.829 -2.717850 19.13903 
1 1 1   16    5   34 o  179.772   9.8605   78.066   8.2805   74.780   11.593   81.489   11.831  175.842   14.107  183.702   13.781 -7.859756 19.72096 
1 1 1   16    5   35 o   87.306   16.144   16.440   5.5745   28.634   12.831   13.603   6.1892  101.995   26.630   72.617   18.257 29.37766 32.28742 
1 1 1   16    5   36 o   59.284   12.022   9.2589   3.6800   11.925   4.7075   5.0684   5.9013   68.607   15.092   49.961   18.717 18.64549 24.04343 
1 1 1   16    5   37 o   66.378   12.373   11.465   3.9674   14.055   5.4828   8.6182   5.7482   74.154   16.268   58.602   18.647 15.55202 24.74614 
1 1 1   16    5   38 o  136.115   9.9811   45.952   6.2188   54.772   8.6561   36.543   8.9403  150.538   12.304  121.692   15.720 28.84569 19.96221 
1 1 1   16    5   39 o  129.677   10.618   38.936   6.2208   31.950   7.6904   52.160   10.581  114.120   14.419  145.233   15.589 -31.11256 21.23507 
1 1 1   16    5   40 o  124.309   13.027   41.015   6.7839   44.183   8.4009   35.078   11.501  134.497   13.365  114.120   22.364 20.37693 26.05309 
1 1 1   16    5   41 o   99.964   13.779   25.308   6.2623   15.796   8.2319   38.374   9.6482   76.253   21.927  123.674   16.693 -47.42130 27.55819 
1 1 1   16    5   42 o   78.172   17.511   15.897   6.3336   15.027   7.1604   19.024   13.577   74.770   20.070   81.574   28.700 -6.803955 35.02185 
1 1 1   16    5   43 o  119.573   16.919   34.848   8.4466   26.877   9.8851   56.413   16.259   98.605   22.008  140.540   25.702 -41.93433 33.83715 
1 1 1   16    5   44 o  114.656   17.791   36.927   9.0958   31.860   11.560   45.163   14.738  105.387   24.007  123.925   26.263 -18.53756 35.58180 
1 1 1   16    5   45 f   59.858   16.121   8.4882   6.2685   9.6196   8.7792   7.3115   8.9534   61.859   22.897   57.856   22.699 4.003128 32.24163 
1 1 1   16    5   46 o  146.131   21.319   67.419   14.022   66.274   20.811   68.370   18.975  142.371   32.050  149.891   28.120 -7.520508 42.63733 
1 1 1   16    5   47 o   92.474   14.233   23.749   6.1693   16.475   8.3829   32.343   9.1119   74.669   22.309  110.279   17.680 -35.61081 28.46503 
1 1 1   16    5   48 o   46.145   13.262   3.6419   4.3788   2.5362   5.5799   5.4143   7.0645   42.010   17.394   50.280   20.024 -8.269810 26.52383 
1 1 1   16    5   49 o   77.352   17.466   18.825   7.0183   16.547   12.814   19.802   8.3883   72.460   27.485   82.244   21.560 -9.783951 34.93207 
1 1 1   16    5   50 o   87.239   15.395   23.929   6.6604   14.449   9.5144   33.039   9.3268   67.174   23.983  107.305   19.308 -40.13155 30.78964 
1 1 1   16    5   51 o   67.384   15.888   14.534   5.8522   15.974   8.6689   13.327   7.9325   69.905   22.955   64.863   21.973 5.042610 31.77663 
1 1 1   16    5   52 o   50.172   14.263   6.0309   5.3703   1.6515   7.9008   9.7920   7.3218   43.681   19.389   56.664   20.923 -12.98262 28.52535 
1 1 1   16    5   53 o   52.459   17.260   0.8318   7.3307  -2.4713   8.0002   18.124   18.305   39.019   18.144   65.898   29.366 -26.87922 34.51928 
1 1 1   16    5   54 o   47.178   16.088  -1.1689   6.8282  -2.4613   7.2929   8.0150   19.441   37.043   17.258   57.312   27.157 -20.26917 32.17640 
1 1 1   16    5   55 o   67.725   17.638   18.631   6.9317   18.639   7.2720   18.554   22.928   75.019   20.264   60.432   28.876 14.58704 35.27636 
1 1 1   16    6    0 o   69.752   7.9093   12.269   3.3652   12.269   3.3652   12.269   3.3652   69.752   11.185   69.752   11.185 -0.000000 0.000000 
1 1 1   16    6    1 o  239.090   9.7349  136.067   10.862  144.692   15.393  127.512   15.330  246.769   13.347  231.411   14.175 15.35789 19.46979 
1 1 1   16    6    2 o  405.423   17.282  402.878   32.496  382.929   42.973  429.519   49.660  394.787   23.291  416.060   25.539 -21.27313 34.56494 
1 1 1   16    6    3 o  380.185   19.910  360.235   34.760  379.932   54.978  347.117   44.865  386.521   30.435  373.848   25.679 12.67383 39.82050 
1 1 1   16    6    4 o  113.898   8.7443   30.377   4.5253   32.378   7.4132   29.188   5.7132  116.679   13.595  111.117   11.002 5.562096 17.48865 
1 1 1   16    6    5 o  104.924   7.8650   26.267   3.8033   24.419   5.7588   27.697   5.0651  101.503   12.140  108.345   10.003 -6.842529 15.73007 
1 1 1   16    6    6 o  198.212   8.3219   92.391   7.6556   98.539   11.665   87.739   10.147  203.854   12.244  192.570   11.274 11.28334 16.64383 
1 1 1   16    6    7 o  317.690   14.749  246.139   21.898  247.572   30.955  244.702   30.981  318.662   20.786  316.718   20.930 1.944214 29.49772 
1 1 1   16    6    8 o  124.505   8.7608   36.270   4.9940   39.352   8.0327   34.327   6.3760  128.597   13.366  120.412   11.330 8.184731 17.52166 
1 1 1   16    6    9 o  114.555   8.5352   30.115   4.4778   36.425   7.2767   26.269   5.6808  123.822   12.575  105.288   11.545 18.53348 17.07050 
1 1 1   16    6   10 o  189.780   11.470   87.076   9.9026   84.158   15.772   88.976   12.723  186.496   18.095  193.063   14.101 -6.567337 22.94075 
1 1 1   16    6   11 o  186.800   12.571   84.552   10.941   92.183   15.508   76.990   15.438  195.486   16.974  178.113   18.546 17.37251 25.14170 
1 1 1   16    6   12 o  119.426   9.5843   33.508   5.2136   31.791   6.5958   36.368   8.5115  115.647   12.204  123.205   14.782 -7.558273 19.16869 
1 1 1   16    6   13 o  244.363   17.952  145.351   19.567  134.354   23.960  167.368   33.903  233.133   21.991  255.592   28.382 -22.45918 35.90486 
1 1 1   16    6   14 o  179.532   17.963   81.399   15.020   89.137   21.332   73.791   21.151  188.617   24.200  170.447   26.552 18.16948 35.92548 
1 1 1   16    6   15 o  200.700   19.440  102.966   18.234  102.851   25.672  103.084   25.903  200.661   27.375  200.740   27.611 -0.7911682E-01 38.88089 
1 1 1   16    6   16 o  276.000   20.238  191.677   24.728  209.209   42.952  182.985   30.242  281.454   32.654  270.545   23.918 10.90921 40.47642 
1 1 1   16    6   17 o  122.861   11.394   36.346   6.5392   37.908   9.3121   34.826   9.1847  125.519   15.874  120.203   16.350 5.316658 22.78829 
1 1 1   16    6   18 o   57.132   12.792   7.1429   4.2181   12.343   5.9484   1.8835   5.9822   70.053   18.055   44.210   18.127 25.84258 25.58457 
1 1 1   16    6   19 o  237.947   14.790  139.262   16.447  138.745   23.252  139.781   23.268  237.485   20.949  238.409   20.883 -0.9232941 29.57991 
1 1 1   16    6   20 o  239.749   15.197  143.186   16.742  173.415   23.848  113.811   23.510  266.249   19.166  213.249   23.589 53.00018 30.39372 
1 1 1   16    6   21 o  370.563   29.267  385.445   47.922  428.826   83.129  363.852   58.649  374.717   47.468  366.409   34.249 8.308807 58.53411 
1 1 1   16    6   22 o  166.463   14.888   67.120   10.914   74.481   19.278   63.648   13.239  171.462   24.057  161.465   17.545 9.997437 29.77551 
1 1 1   16    6   23 o   95.432   15.665   23.093   6.2815   23.374   12.409   22.996   7.2838   93.535   26.929   97.330   16.013 -3.795006 31.32990 
1 1 1   16    6   24 f  183.971   12.404   82.775   10.663   83.205   15.222   82.362   14.941  184.382   17.665  183.561   17.417 0.8206635 24.80754 
1 1 1   16    6   25 o  142.002   16.629   56.561   9.5847   38.346   16.287   66.211   11.855  118.537   29.514  165.467   15.330 -46.93006 33.25792 
1 1 1   16    6   26 o   59.515   13.824   8.8009   4.3731   4.7462   8.4279   10.295   5.1157   55.137   21.898   63.894   16.879 -8.756897 27.64869 
1 1 1   16    6   27 o  161.772   16.564   71.284   9.9990   57.811   19.803   75.895   11.584  145.879   30.047  177.665   13.951 -31.78612 33.12757 
1 1 1   16    6   28 o  113.681   11.802   32.487   5.8343   29.149   9.4436   34.548   7.4196  107.301   19.552  120.062   13.223 -12.76143 23.60373 
1 1 1   16    6   29 o  232.482   15.047  134.686   16.313  145.383   23.208  124.237   22.936  242.123   20.510  222.840   22.023 19.28233 30.09429 
1 1 1   16    6   30 o  154.446   11.352   57.820   8.1786   53.657   11.195   62.584   11.977  148.476   16.134  160.416   15.975 -11.93970 22.70495 
1 1 1   16    6   31 o  133.838   11.162   43.473   6.9558   38.839   9.4590   48.928   10.264  126.019   16.061  141.657   15.504 -15.63840 22.32306 
1 1 1   16    6   32 o  154.036   8.4804   56.430   6.0752   52.851   8.1183   60.984   9.1588  148.622   11.688  159.451   12.290 -10.82898 16.96072 
1 1 1   16    6   33 f  148.744   8.9983   53.399   6.0135   35.915   8.2181   73.551   8.8229  121.810   14.436  175.678   10.746 -53.86810 17.99655 
1 1 1   16    6   34 o   84.499   10.119   17.550   3.8717   17.451   5.1457   17.680   5.8778   85.087   12.940   83.911   15.561 1.175621 20.23870 
1 1 1   16    6   35 o   97.995   9.2099   22.797   4.1667   18.501   5.5279   28.449   6.3404   87.364   13.539  108.626   12.489 -21.26119 18.41975 
1 1 1   16    6   36 o  167.268   11.394   68.119   8.7556   73.855   13.915   64.359   11.265  172.365   17.274  162.172   14.864 10.19368 22.78823 
1 1 1   16    6   37 o   86.626   13.220   20.597   5.2622   12.847   8.2200   25.978   6.8497   70.107   22.298  103.145   14.210 -33.03765 26.44101 
1 1 1   16    6   38 o   85.533   12.906   21.872   5.4081   6.0051   8.7326   31.743   6.8880   56.713   22.364  114.352   12.889 -57.63923 25.81235 
1 1 1   16    6   39 f   74.484   16.356   8.8176   4.7106   6.0572   5.0412   27.816   13.225   50.653   17.507   98.316   27.634 -47.66310 32.71295 
1 1 1   16    6   40 o  118.405   17.515   38.440   9.0111   38.631   15.726   38.347   10.995  114.435   29.284  122.374   19.225 -7.938652 35.03057 
1 1 1   16    6   41 o  124.426   19.256   44.049   11.888   20.100   16.119   72.619   17.605   83.785   31.022  165.068   22.821 -81.28298 38.51221 
1 1 1   16    6   42 o   65.516   14.602   12.819   5.2141   15.677   5.6217  -4.7725   13.948   77.885   15.980   53.147   24.444 24.73838 29.20398 
1 1 1   16    6   43 o   87.193   16.788   24.153   6.7500   26.569   7.3967   12.124   16.507  102.655   15.417   71.730   29.827 30.92471 33.57592 
1 1 1   16    6   44 o   65.045   16.019   11.225   6.2942   15.231   8.2961   5.7924   9.6618   73.704   22.232   56.387   23.068 17.31656 32.03773 
1 1 1   16    6   45 o   81.985   16.706   19.648   6.9445   23.839   9.4336   14.689   10.260   91.979   22.199   71.991   24.971 19.98734 33.41197 
1 1 1   16    6   46 o   46.101   13.903   2.1146   5.2351   1.8372   6.9330   2.4827   7.9851   44.466   18.954   47.736   20.344 -3.269855 27.80506 
1 1 1   16    6   47 o  125.863   13.242   42.706   7.7532   38.391   10.409   48.084   11.621  118.762   18.753  132.965   18.700 -14.20341 26.48349 
1 1 1   16    6   48 o   52.568   14.675   4.7255   5.6695   11.137   8.3021  -0.8776   7.7610   62.880   22.408   42.257   18.955 20.62360 29.34984 
1 1 1   16    6   49 o   56.201   15.512   8.0769   5.8926   7.5748   8.5494   8.5313   8.1330   55.518   22.054   56.884   21.819 -1.365482 31.02333 
1 1 1   16    6   50 o   56.815   18.252   5.5650   7.7908   5.0970   8.3071   8.9826   22.449   49.962   20.995   63.668   29.862 -13.70606 36.50337 
1 1 1   16    6   51 o   49.490   17.173  -4.8304   6.4937  -6.9411   6.8016   16.912   21.830   32.223   15.484   66.758   30.659 -34.53492 34.34694 
1 1 1   16    6   52 o   60.724   16.686   12.459   6.4571   13.983   6.7333  -4.9884   22.781   66.848   19.999   54.601   26.715 12.24681 33.37107 
1 1 1   16    6   53 o   55.403   18.391   4.5674   10.157   2.7451   11.401   11.581   22.366   49.368   22.476   61.437   29.117 -12.06953 36.78228 
1 1 1   16    6   54 f   64.023   16.239   15.827   6.8193   7.8149   12.498   19.224   8.1373   53.366   23.987   74.681   21.896 -21.31437 32.47806 
1 1 1   16    7    0 o  293.769   11.739  206.345   22.627  206.345   22.627  206.345   22.627  293.769   16.602  293.769   16.602 -0.000000 0.000000 
1 1 1   16    7    1 o  171.842   8.3246   69.035   6.6328   62.789   8.7350   77.540   10.193  162.843   11.478  180.841   12.061 -17.99788 16.64913 
1 1 1   16    7    2 o  132.373   8.1466   41.509   5.0368   39.780   7.1122   43.248   7.1340  129.572   11.745  135.173   11.293 -5.601013 16.29319 
1 1 1   16    7    3 o  170.804   8.4529   69.301   6.6740   68.210   10.171   70.126   8.8443  169.431   12.845  172.176   10.991 -2.744339 16.90574 
1 1 1   16    7    4 o  379.167   15.079  351.783   26.711  340.882   37.761  362.700   37.790  373.018   21.661  385.317   20.985 -12.29874 30.15891 
1 1 1   16    7    5 o  280.031   11.941  187.517   15.503  179.652   20.500  198.025   23.696  273.616   16.031  286.446   17.701 -12.82935 23.88136 
1 1 1   16    7    6 o  375.907   15.248  346.764   26.753  327.256   37.824  366.291   37.844  364.802   22.186  387.012   20.923 -22.20981 30.49552 
1 1 1   16    7    7 o  308.722   12.335  230.099   17.790  222.361   25.127  237.876   25.192  303.358   17.723  314.085   17.162 -10.72650 24.67063 
1 1 1   16    7    8 o  268.298   10.223  172.366   12.789  185.103   18.064  159.564   18.110  278.489   13.879  258.106   15.013 20.38336 20.44555 
1 1 1   16    7    9 o  174.554   8.3988   72.347   6.8501   70.455   9.6648   74.258   9.7104  172.229   12.007  176.878   11.747 -4.649277 16.79763 
1 1 1   16    7   10 o  157.314   7.4009   58.568   5.4403   57.211   7.6713   59.941   7.7165  155.463   10.558  159.165   10.374 -3.701828 14.80173 
1 1 1   16    7   11 o  221.851   12.486  118.077   12.749  126.370   20.101  112.496   16.489  227.722   18.887  215.979   16.336 11.74355 24.97184 
1 1 1   16    7   12 o  258.864   13.680  162.306   16.283  172.203   25.705  155.673   21.044  264.509   20.793  253.220   17.782 11.28880 27.36019 
1 1 1   16    7   13 o  105.736   10.691   26.883   5.2794   25.896   7.4905   27.857   7.4421  103.742   15.449  107.730   14.781 -3.987732 21.38162 
1 1 1   16    7   14 o   77.496   12.754   15.181   4.5314   14.324   6.5843   15.952   6.2458   75.247   18.782   79.745   17.259 -4.498306 25.50797 
1 1 1   16    7   15 o  127.229   15.375   43.332   7.9847   33.569   14.082   47.958   9.6937  112.997   27.029  141.461   14.663 -28.46333 30.75016 
1 1 1   16    7   16 o  241.194   19.590  150.329   20.443  140.998   35.571  154.931   24.980  231.459   32.884  250.929   21.301 -19.46976 39.17998 
1 1 1   16    7   17 o  131.103   11.751   41.445   7.1927   44.075   10.297   38.938   10.052  135.245   16.290  126.962   16.941 8.282951 23.50233 
1 1 1   16    7   18 o   51.203   12.420   3.5844   4.4409   11.296   6.0521  -5.4103   6.5364   67.068   18.638   35.338   16.422 31.72960 24.84064 
1 1 1   16    7   19 o   97.129   15.999   26.716   7.2453   14.141   12.562   32.984   8.8691   77.443   27.568  116.815   16.246 -39.37214 31.99853 
1 1 1   16    7   20 o  257.210   16.961  157.869   17.916  186.861   36.059  148.365   20.645  267.850   28.806  246.570   17.916 21.28003 33.92281 
1 1 1   16    7   21 o  183.259   16.702   86.675   13.106   79.669   23.097   90.002   15.917  174.656   28.296  191.862   17.751 -17.20668 33.40350 
1 1 1   16    7   22 o  102.921   12.006   26.184   5.6387   25.741   8.2190   26.578   7.7502  101.172   18.044  104.670   15.843 -3.498009 24.01268 
1 1 1   16    7   23 o  162.283   12.114   64.276   9.1855   66.048   13.033   62.526   12.948  164.581   16.944  159.984   17.318 4.596649 24.22790 
1 1 1   16    7   24 f   94.735   14.022   21.282   5.8396   30.280   9.9292   16.524   7.2203  109.113   20.216   80.357   19.438 28.75585 28.04486 
1 1 1   16    7   25 f  171.701   11.886   72.873   9.2446   66.586   14.610   77.071   11.939  164.468   19.007  178.933   14.277 -14.46442 23.77183 
1 1 1   16    7   26 o  131.252   14.686   45.075   7.4831   39.811   14.530   46.975   8.7299  122.562   26.163  139.941   13.348 -17.37864 29.37105 
1 1 1   16    7   27 o   61.800   13.230   9.7438   4.2578   6.1774   6.9187   11.918   5.4019   54.929   20.327   68.671   16.938 -13.74200 26.45906 
1 1 1   16    7   28 o  267.551   13.799  173.697   17.000  192.983   26.908  160.884   21.931  278.876   20.645  256.226   18.315 22.65082 27.59802 
1 1 1   16    7   29 o  247.569   15.299  154.168   17.560  132.436   24.703  176.364   24.966  228.680   23.114  266.457   20.049 -37.77724 30.59767 
1 1 1   16    7   30 o  122.480   12.094   36.915   6.9170   35.944   9.8861   37.845   9.6813  120.753   17.518  124.207   16.678 -3.454361 24.18753 
1 1 1   16    7   31 o   79.029   15.336   17.104   5.8278   12.031   10.212   19.554   7.0969   70.451   24.880   87.607   17.937 -17.15533 30.67164 
1 1 1   16    7   32 o   54.375   14.226   3.5170   4.5478   12.221   8.7860   0.3313   5.3153   69.869   23.118   38.880   16.585 30.98968 28.45130 
1 1 1   16    7   33 o   55.946   11.651   7.1467   3.1399   5.4711   3.8434   10.509   5.4445   47.698   15.255   64.195   17.615 -16.49639 23.30267 
1 1 1   16    7   34 o   48.718   11.590   5.3718   2.9230   5.0628   3.4804   6.1117   5.3851   45.775   14.504   51.661   18.081 -5.885952 23.17939 
1 1 1   16    7   35 o  113.482   9.7092   31.125   5.1343   29.139   6.9441   33.521   7.6256  109.563   13.562  117.402   13.898 -7.838898 19.41841 
1 1 1   16    7   36 o  185.971   8.7494   83.200   7.5241   67.937   10.299  100.670   11.019  167.348   13.168  204.594   11.524 -37.24564 17.49872 
1 1 1   16    7   37 f  165.806   10.979   66.956   8.2575   64.370   10.412   71.340   13.556  162.503   13.710  169.109   17.152 -6.606094 21.95828 
1 1 1   16    7   38 o   95.284   10.085   22.037   4.4670   19.967   5.9603   24.689   6.7473   90.275   14.127  100.294   14.395 -10.01896 20.16922 
1 1 1   16    7   39 o   67.778   15.650   12.407   5.2545   6.9749   12.355   13.606   5.8057   63.320   26.016   72.236   17.403 -8.915699 31.30059 
1 1 1   16    7   40 o  187.249   34.274  108.277   28.889   0.0000   0.0000  108.277   28.889  ?   ?   187.249   34.274      ?      ? 
1 1 1   16    7   41 f   56.358   15.775   6.4373   4.8432   7.0471   5.1644   1.9879   13.950   53.275   17.729   59.441   26.099 -6.166004 31.55098 
1 1 1   16    7   42 o  155.921   13.452   52.186   8.2028   44.102   9.1095   86.840   18.860  132.931   14.663  178.911   22.557 -45.97960 26.90361 
1 1 1   16    7   43 o   55.816   13.637   3.9577   4.8587  -2.7174   6.0434   16.158   8.1702   35.778   16.318   75.855   21.854 -40.07727 27.27431 
1 1 1   16    7   44 o  144.202   12.956   45.884   7.7796   37.179   8.8828   74.544   16.118  121.268   15.673  167.137   20.635 -45.86850 25.91235 
1 1 1   16    7   45 o   82.555   16.177   16.103   5.6192   12.666   6.3470   28.564   12.085   67.967   19.158   97.142   26.074 -29.17430 32.35501 
1 1 1   16    7   46 o   80.472   17.660   21.338   7.8706   12.251   13.648   25.866   9.6340   66.972   27.410   93.972   22.276 -26.99969 35.32034 
1 1 1   16    7   47 o   47.038   21.823  -3.6586   11.471  -3.6586   11.471   0.0000   0.0000   47.038   21.823  ?   ?       ?      ? 
1 1 1   16    7   48 o   59.429   18.671   5.6063   7.9103   5.6353   8.4861   5.4142   21.848   52.838   21.618   66.020   30.448 -13.18220 37.34209 
1 1 1   16    7   49 o   52.616   16.948   3.2420   7.8129   5.5325   8.3578 -12.6254   21.998   51.161   21.244   54.072   26.413 -2.911102 33.89615 
1 1 1   16    7   50 o   70.265   19.054   17.467   8.0315   17.889   8.6143   14.662   22.213   74.288   22.709   66.241   30.603 8.046486 38.10831 
1 1 1   16    7   51 o   37.537   18.362 -12.3812   10.742 -12.3812   10.742   0.0000   0.0000   37.537   18.362  ?   ?       ?      ? 
1 1 1   16    7   52 o   57.039   16.653   8.6312   6.9042   15.914   11.829   4.8681   8.5028   65.449   25.959   48.628   20.865 16.82142 33.30526 
1 1 1   16    7   53 o   57.753   15.661   10.848   5.8869   9.9115   7.8419   12.058   8.9109   55.900   21.429   59.606   22.845 -3.705772 31.32237 
1 1 1   16    7   54 f   84.128   17.332   26.371   7.1382   24.267   9.2548   29.462   11.215   82.040   23.137   86.216   25.814 -4.175804 34.66499 
1 1 1   16    8    0 o  159.801   9.1518   61.372   9.5201   61.372   9.5201   61.372   9.5201  159.801   12.943  159.801   12.943 -0.000000 0.000000 
1 1 1   16    8    1 o  224.828   11.126  121.401   11.675  114.063   16.461  128.827   16.561  217.820   16.170  231.835   15.285 -14.01439 22.25102 
1 1 1   16    8    2 f  228.059   10.030  124.025   10.593  125.872   16.147  122.630   14.035  229.226   15.073  226.893   13.236 2.332840 20.05956 
1 1 1   16    8    3 o  209.392   9.9981  105.455   9.6511   99.864   14.680  109.712   12.808  204.047   15.394  214.737   12.763 -10.69041 19.99629 
1 1 1   16    8    4 o  180.069   9.0431   77.451   7.5161   75.241   11.474   79.112   9.9474  177.535   13.829  182.604   11.656 -5.068909 18.08626 
1 1 1   16    8    5 o  217.338   10.076  114.667   10.029  102.303   15.270  124.045   13.299  206.295   15.838  228.380   12.460 -22.08470 20.15181 
1 1 1   16    8    6 o  172.245   9.5019   70.788   7.6476   70.049   10.879   71.511   10.753  171.315   13.588  173.174   13.286 -1.859024 19.00375 
1 1 1   16    8    7 o  156.358   8.0457   58.031   5.8172   57.789   8.8817   58.212   7.6982  155.900   12.190  156.817   10.504 -0.9174805 16.09131 
1 1 1   16    8    8 o   96.779   7.6152   23.065   3.3061   17.655   5.0158   27.222   4.3963   86.120   12.462  107.438   8.7556 -21.31749 15.23040 
1 1 1   16    8    9 o   69.198   10.099   12.127   3.1747   14.569   4.2348   8.9919   4.7971   78.320   11.569   60.076   16.555 18.24425 20.19719 
1 1 1   16    8   10 f  150.895   8.8950   54.233   6.2706   52.255   8.7872   56.285   8.9510  148.065   12.699  153.726   12.459 -5.660507 17.78996 
1 1 1   16    8   11 o  218.337   11.654  113.867   11.703  108.256   15.108  122.285   18.505  212.205   15.234  224.468   17.640 -12.26266 23.30740 
1 1 1   16    8   12 o  333.994   17.875  285.700   26.969  258.419   42.591  303.958   34.844  316.889   28.759  351.099   21.235 -34.20917 35.74914 
1 1 1   16    8   13 o  203.376   11.660   98.596   10.891  106.048   17.311   93.713   14.012  209.173   17.708  197.577   15.174 11.59595 23.32052 
1 1 1   16    8   14 o  153.938   11.596   57.118   8.2767   66.717   11.934   48.222   11.489  166.701   15.318  141.176   17.413 25.52553 23.19168 
1 1 1   16    8   15 o  269.306   19.302  182.712   22.833  188.821   39.753  179.704   27.893  268.931   31.629  269.681   22.131 -0.7503357 38.60320 
1 1 1   16    8   16 o  113.381   14.948   33.155   6.9911   29.806   12.808   34.577   8.3438  106.715   25.935  120.047   14.872 -13.33210 29.89620 
1 1 1   16    8   17 o   68.737   16.013   10.947   5.6142   13.123   10.168   9.9931   6.7339   73.594   24.877   63.880   20.168 9.714508 32.02513 
1 1 1   16    8   18 o  100.047   14.731   26.742   5.6290   22.159   12.107   28.005   6.3580   91.764   26.651  108.330   12.558 -16.56596 29.46188 
1 1 1   16    8   19 o  210.128   20.376  119.661   17.686  104.908   30.762  126.946   21.616  193.797   35.263  226.459   20.424 -32.66208 40.75106 
1 1 1   16    8   20 o   77.265   15.729   15.130   5.5423   15.095   10.827   15.142   6.4517   77.369   25.666   77.162   18.188 0.2072144 31.45705 
1 1 1   16    8   21 o  135.626   12.222   45.292   7.6358   36.822   10.791   53.787   10.807  122.248   18.887  149.003   15.519 -26.75522 24.44482 
1 1 1   16    8   22 o  142.032   13.414   47.583   8.6104   58.176   14.596   41.929   10.663  153.066   20.404  130.997   17.418 22.06862 26.82719 
1 1 1   16    8   23 o  109.558   11.844   26.680   5.5756   35.968   10.700   23.218   6.5326  120.898   18.938   98.219   14.231 22.67960 23.68901 
1 1 1   16    8   24 o  142.088   11.325   48.983   7.5173   48.317   10.737   49.624   10.529  141.051   16.287  143.124   15.740 -2.073166 22.65016 
1 1 1   16    8   25 f   37.447   11.402  -0.5610   3.6119   1.6035   5.5470  -2.1542   4.7591   42.140   17.387   32.753   14.754 9.387051 22.80348 
1 1 1   16    8   26 o  141.230   10.757   48.539   6.9192   46.492   10.950   49.900   8.9271  138.170   16.958  144.289   13.238 -6.118591 21.51324 
1 1 1   16    8   27 o  140.678   10.953   48.533   6.9956   44.625   11.022   51.170   9.0530  135.232   17.439  146.124   13.256 -10.89160 21.90544 
1 1 1   16    8   28 o   78.864   12.996   15.632   4.6059   16.944   7.4406   14.817   5.8646   81.164   19.793   76.564   16.847 4.600845 25.99218 
1 1 1   16    8   29 o  125.845   11.281   39.286   6.4567   35.610   10.066   41.856   8.4163  120.038   17.943  131.651   13.679 -11.61232 22.56247 
1 1 1   16    8   30 o  272.945   17.403  193.159   22.116  211.365   31.348  175.120   31.205  287.085   23.365  258.806   25.799 28.27936 34.80660 
1 1 1   16    8   31 o  112.676   16.124   38.145   7.8761   18.654   13.533   48.129   9.6854   84.417   28.699  140.935   14.705 -56.51872 32.24713 
1 1 1   16    8   32 o   97.078   14.845   24.780   5.9395   22.689   11.617   25.520   6.9111   91.562   25.957  102.594   14.414 -11.03214 29.69028 
1 1 1   16    8   33 o   93.647   12.825   25.623   5.5014   8.4262   8.4594   38.226   7.2420   61.272   22.511  126.022   12.296 -64.75046 25.65064 
1 1 1   16    8   34 o   49.893   12.913   2.9989   4.1277   10.473   6.9321  -1.1066   5.1378   64.180   20.484   35.605   15.728 28.57488 25.82546 
1 1 1   16    8   35 o   60.844   10.867   9.0570   2.7953   8.7239   3.2314   10.047   5.5713   59.162   12.095   62.525   18.056 -3.362961 21.73314 
1 1 1   16    8   36 o   94.656   8.4891   19.021   3.4917   14.908   4.1138   29.620   6.6035   78.762   11.176  110.551   12.781 -31.78972 16.97826 
1 1 1   16    8   37 o   81.091   11.105   16.423   4.0125   14.691   5.2202   18.924   6.2729   76.029   15.222   86.153   16.174 -10.12350 22.21045 
1 1 1   16    8   38 o   52.628   13.033   6.5283   3.9597   6.1378   5.5643   6.9290   5.6360   51.571   18.349   53.686   18.514 -2.114899 26.06585 
1 1 1   16    8   39 f  104.624   13.628   28.722   6.4172   29.325   9.0438   28.111   9.1072  105.931   18.964  103.317   19.578 2.613876 27.25672 
1 1 1   16    8   40 o   67.589   16.598   9.3354   5.0003   7.7757   5.4395   17.841   12.702   55.565   18.180   79.613   27.775 -24.04773 33.19576 
1 1 1   16    8   41 f   82.355   17.531   20.121   7.8254   25.955   10.040   11.090   12.491   96.619   22.631   68.092   26.781 28.52720 35.06247 
1 1 1   16    8   42 o  111.549   17.542   36.109   8.8608   37.078   11.818   34.864   13.391  115.043   22.787  108.055   26.676 6.988068 35.08410 
1 1 1   16    8   43 o   70.856   17.846   10.528   8.5401   25.177   12.599  -1.9248   11.616   91.107   27.378   50.605   22.900 40.50161 35.69285 
1 1 1   16    8   44 o   85.338   18.530   21.880   8.0124   21.827   10.279   21.962   12.792   86.284   24.400   84.393   27.893 1.891129 37.05907 
1 1 1   16    8   45 o   69.645   24.272   14.206   9.6997   14.206   9.6997   0.0000   0.0000   69.645   24.272  ?   ?       ?      ? 
1 1 1   16    8   46 o   69.181   26.943   14.666   12.543   14.666   12.543   0.0000   0.0000   69.181   26.943  ?   ?       ?      ? 
1 1 1   16    8   47 o  203.944   50.552  210.113   47.941  210.113   47.941   0.0000   0.0000  203.944   50.552  ?   ?       ?      ? 
1 1 1   16    8   48 o   59.445   25.222   8.2738   12.178   8.2738   12.178   0.0000   0.0000   59.445   25.222  ?   ?       ?      ? 
1 1 1   16    8   49 o   41.095   13.220  -0.9011   5.5210  -0.0735   7.1969  -2.0848   8.6067   40.712   18.258   41.477   19.123 -0.7649765 26.43924 
1 1 1   16    8   50 o   75.606   17.808   18.783   7.0457   15.019   8.6109   26.410   12.256   67.408   22.893   83.804   27.283 -16.39584 35.61566 
1 1 1   16    8   51 o   67.465   22.564   15.299   8.3637   15.299   8.3637   0.0000   0.0000   67.465   22.564  ?   ?       ?      ? 
1 1 1   16    8   52 o   59.732   16.490   10.231   6.3799   6.2007   7.7891   18.448   11.121   49.750   20.571   69.713   25.777 -19.96257 32.97942 
1 1 1   16    8   53 o   41.769   13.119   2.0615   5.0600   3.3865   6.2125  -0.5497   8.7217   42.207   17.965   41.331   19.123 0.8754921 26.23826 
1 1 1   16    9    0 o  303.092   18.225  227.618   35.901  227.618   35.901  227.618   35.901  303.092   25.774  303.092   25.774 -0.000000 0.000000 
1 1 1   16    9    1 o  140.434   10.429   47.301   6.8421   47.432   9.5596   47.163   9.7971  140.684   14.540  140.184   14.954 0.4994659 20.85719 
1 1 1   16    9    2 o   95.541   7.7690   21.712   3.4571   22.905   4.7902   20.415   4.9945   98.358   10.421   92.724   11.525 5.634880 15.53791 
1 1 1   16    9    3 o  241.622   11.025  140.489   12.448  142.802   17.579  138.162   17.630  243.686   15.436  239.557   15.747 4.129623 22.05098 
1 1 1   16    9    4 o  129.815   8.2941   40.028   5.0295   38.332   7.0408   41.795   7.1872  126.983   11.864  132.646   11.594 -5.663307 16.58816 
1 1 1   16    9    5 o  166.406   8.5537   65.884   6.6504   63.963   9.3840   67.822   9.4262  163.932   12.248  168.881   11.943 -4.949127 17.10736 
1 1 1   16    9    6 o  206.698   10.664  102.687   10.296  106.480   14.566   98.900   14.554  210.619   14.798  202.777   15.358 7.841827 21.32716 
1 1 1   16    9    7 o  134.373   11.733   41.693   6.3844   39.834   7.3119   47.659   13.098  129.393   12.091  139.353   20.111 -9.959671 23.46601 
1 1 1   16    9    8 o  250.143   12.873  150.874   14.777  145.385   19.028  159.213   23.454  245.292   16.599  254.993   19.681 -9.701645 25.74586 
1 1 1   16    9    9 o  153.238   9.7537   54.074   6.8386   46.326   8.6583   66.923   11.150  139.307   13.299  167.169   14.272 -27.86237 19.50745 
1 1 1   16    9   10 o  228.341   11.774  121.861   12.358  103.184   15.851  150.809   19.734  206.851   16.396  249.830   16.901 -42.97894 23.54767 
1 1 1   16    9   11 o   82.758   10.348   14.997   3.7449   10.892   4.5496   23.623   6.5950   66.139   15.056   99.377   14.200 -33.23747 20.69623 
1 1 1   16    9   12 o  198.807   14.737   92.830   13.115   83.285   16.053  111.988   22.742  185.105   18.556  212.509   22.899 -27.40414 29.47326 
1 1 1   16    9   13 o  199.102   12.919   96.283   12.003  103.156   17.114   89.630   16.839  206.307   17.750  191.898   18.776 14.40945 25.83844 
1 1 1   16    9   14 o  206.188   13.107  103.794   12.526  119.992   17.875   88.164   17.559  222.627   17.181  189.749   19.800 32.87750 26.21494 
1 1 1   16    9   15 o  116.975   14.711   32.859   8.0425   0.0000   0.0000   32.859   8.0425  ?   ?   116.975   14.711      ?      ? 
1 1 1   16    9   16 o   89.941   16.412   20.133   6.6443   0.0000   0.0000   20.133   6.6443  ?   ?    89.941   16.412      ?      ? 
1 1 1   16    9   17 o  208.395   19.277  112.037   18.719  123.141   26.850  101.536   26.110  219.182   26.212  197.608   28.272 21.57492 38.55345 
1 1 1   16    9   18 o  161.859   16.514   66.402   12.020   82.007   17.656   52.921   16.411  181.605   20.803  142.114   25.652 39.49173 33.02717 
1 1 1   16    9   19 o  104.660   13.501   27.129   6.2885   26.148   7.9889   28.728   10.196  103.661   16.490  105.660   21.382 -1.999245 27.00213 
1 1 1   16    9   20 o  200.786   16.800  103.360   14.781  105.890   18.222   98.492   25.274  207.383   18.801  194.190   27.849 13.19286 33.60065 
1 1 1   16    9   21 o   71.243   13.181   12.867   4.4398   14.153   6.4747   11.725   6.0998   74.513   18.640   67.973   18.642 6.540070 26.36205 
1 1 1   16    9   22 o   55.873   12.667   7.2020   4.1009   2.0985   6.1305   11.335   5.5169   44.816   18.360   66.929   17.456 -22.11269 25.33347 
1 1 1   16    9   23 o  160.020   14.556   63.078   10.294   65.245   17.760   61.982   12.632  160.545   23.671  159.496   16.946 1.049606 29.11168 
1 1 1   16    9   24 o  193.248   13.249   91.895   11.931  100.270   16.956   83.682   16.791  202.382   17.927  184.114   19.514 18.26888 26.49815 
1 1 1   16    9   25 o  156.758   12.445   60.323   9.0534   53.126   12.922   67.262   12.688  147.046   18.803  166.469   16.309 -19.42265 24.89050 
1 1 1   16    9   26 o  156.391   11.740   59.490   8.5334   67.610   12.242   51.816   11.901  167.107   15.676  145.675   17.481 21.43164 23.47976 
1 1 1   16    9   27 o  197.708   13.437   96.710   12.381  105.749   17.659   87.971   17.364  207.232   18.233  188.184   19.743 19.04799 26.87433 
1 1 1   16    9   28 o   77.815   13.701   16.112   5.1257   10.392   7.6305   20.815   6.9191   64.834   21.548   90.796   16.929 -25.96174 27.40273 
1 1 1   16    9   29 o   92.352   13.440   21.720   5.6011   24.709   8.2472   19.161   7.6310   98.499   18.597   86.204   19.409 12.29469 26.88060 
1 1 1   16    9   30 o  172.296   12.848   73.555   10.299   67.543   14.786   79.221   14.354  164.902   19.186  179.690   17.093 -14.78882 25.69535 
1 1 1   16    9   31 o  176.262   15.102   76.071   11.839   87.244   20.616   70.573   14.462  183.829   23.996  168.695   18.343 15.13350 30.20407 
1 1 1   16    9   32 o  115.706   15.026   34.907   7.5730   33.274   12.588   35.833   9.4805  110.930   24.893  120.482   16.837 -9.552208 30.05227 
1 1 1   16    9   33 o   66.440   14.842   11.399   5.1901   9.6157   7.8914   12.759   6.8900   62.919   21.895   69.961   20.044 -7.042618 29.68435 
1 1 1   16    9   34 o  128.070   13.198   42.287   7.5255   33.910   10.868   50.005   10.431  113.620   21.248  142.521   15.660 -28.90050 26.39558 
1 1 1   16    9   35 o  162.309   12.983   66.719   9.7630   59.814   14.173   72.954   13.467  153.336   19.778  171.282   16.824 -17.94672 25.96591 
1 1 1   16    9   36 o  101.694   13.950   26.942   6.3797   29.738   9.3890   24.544   8.6955  106.787   19.533   96.601   19.922 10.18590 27.90033 
1 1 1   16    9   37 o  140.664   11.436   50.460   6.7815   29.712   9.3038   73.979   9.9055  106.599   19.389  174.729   12.130 -68.12974 22.87125 
1 1 1   16    9   38 o   99.115   19.284   29.969   9.6585   19.109   15.679   36.611   12.261   82.580   30.592  115.650   23.487 -33.07011 38.56850 
1 1 1   16    9   39 o  163.855   10.917   64.793   7.3671   62.571   8.5457   71.225   14.538  160.833   11.369  166.877   18.640 -6.043900 21.83400 
1 1 1   16    9   40 o   99.027   15.625   26.678   7.3760   37.792   10.746   16.775   10.143  120.877   19.022   77.178   24.793 43.69856 31.24926 
1 1 1   16    9   41 o   76.337   15.388   16.872   5.4305   17.970   6.1991   13.250   11.260   82.796   16.598   69.879   25.917 12.91739 30.77688 
1 1 1   16    9   42 o  175.835   35.087  102.447   27.823  102.447   27.823   0.0000   0.0000  175.835   35.087  ?   ?       ?      ? 
1 1 1   16    9   43 o  147.090   20.893   58.144   14.363   58.144   14.363   0.0000   0.0000  147.090   20.893  ?   ?       ?      ? 
1 1 1   16    9   44 o   90.317   17.147   21.746   6.9731   21.746   6.9731   0.0000   0.0000   90.317   17.147  ?   ?       ?      ? 
1 1 1   16    9   45 o   59.979   21.768   9.9342   7.8754   9.9342   7.8754   0.0000   0.0000   59.979   21.768  ?   ?       ?      ? 
1 1 1   16    9   46 o   37.608   12.678  -8.4449   5.3369 -11.6746   6.3295  -0.5008   9.9268   27.896   13.736   47.320   21.313 -19.42336 25.35603 
1 1 1   16    9   47 o   59.640   15.280   10.066   5.9106   13.497   6.9988   1.5337   11.037   68.239   20.383   51.040   22.770 17.19871 30.56049 
1 1 1   16    9   48 o   65.764   18.298   14.340   8.3050   10.887   14.465   16.038   10.143   62.161   26.945   69.367   24.764 -7.206348 36.59608 
1 1 1   16    9   49 o   65.410   15.816   14.518   6.4180   18.299   7.6797   5.7617   11.687   76.851   20.852   53.969   23.787 22.88170 31.63210 
1 1 1   16    9   50 o   31.965   14.940  -3.2289   5.5366  -3.2289   5.5366   0.0000   0.0000   31.965   14.940  ?   ?       ?      ? 
1 1 1   16    9   51 o   55.847   15.656   6.6909   5.3576   3.2602   6.1329   17.745   11.009   42.759   18.007   68.936   25.615 -26.17692 31.31130 
1 1 1   16    9   52 o   40.712   13.310  -0.4425   5.1668  -0.9385   5.9449   1.0893   10.446   35.531   16.197   45.893   21.125 -10.36169 26.61972 
1 1 1   16    9   53 o   69.087   17.499   17.867   6.8288   14.474   8.3291   24.824   11.927   62.905   22.442   75.268   26.854 -12.36348 34.99710 
1 1 1   16   10    0 o  447.375   26.929  518.035   78.298  518.035   78.298  518.035   78.298  447.375   38.083  447.375   38.083 -0.000000 0.000000 
1 1 1   16   10    1 o  404.832   23.187  447.157   41.557  367.552   65.682  500.297   53.664  364.777   38.528  444.888   25.810 -80.11041 46.37424 
1 1 1   16   10    2 o  121.753   7.8597   35.150   4.4709   33.934   6.2626   36.414   6.3847  119.591   11.205  123.915   11.025 -4.323387 15.71941 
1 1 1   16   10    3 o  203.272   9.9803   98.936   9.4701   93.185   13.351  104.761   13.435  197.195   14.487  209.350   13.732 -12.15523 19.96054 
1 1 1   16   10    4 o  202.130   10.540   98.251   9.9111   87.402   13.977  109.224   14.056  190.594   15.691  213.665   14.076 -23.07077 21.07987 
1 1 1   16   10    5 o   73.250   8.1322   12.743   2.7809   12.555   4.0092   12.918   3.8607   72.699   11.800   73.802   11.193 -1.103142 16.26432 
1 1 1   16   10    6 o   85.323   7.7621   17.266   3.0926   17.980   4.3579   16.541   4.3894   87.131   10.702   83.515   11.246 3.615982 15.52429 
1 1 1   16   10    7 o  288.915   15.588  206.833   20.531  209.597   26.449  202.643   32.567  293.164   19.304  284.665   24.479 8.499695 31.17507 
1 1 1   16   10    8 o  331.810   19.243  254.980   26.656  227.475   30.744  338.274   53.501  303.803   21.654  359.816   31.816 -56.01370 38.48518 
1 1 1   16   10    9 o  268.500   18.424  179.492   19.892  177.258   22.933  186.279   39.972  270.255   18.157  266.746   32.064 3.509033 36.84809 
1 1 1   16   10   10 o   67.949   13.752   7.7039   3.7136   5.4282   4.0490   19.758   9.3190   48.189   15.682   87.709   22.595 -39.52024 27.50371 
1 1 1   16   10   11 o  260.095   16.159  162.507   17.033  156.884   19.588  179.944   34.493  254.938   16.441  265.251   27.824 -10.31294 32.31871 
1 1 1   16   10   12 o  219.491   17.743  125.888   16.749  108.064   28.671  135.122   20.636  203.691   30.118  235.290   18.766 -31.59917 35.48599 
1 1 1   16   10   13 o  303.458   27.865  269.807   34.173  221.822   59.098  293.910   41.886  267.527   49.076  339.388   26.407 -71.86166 55.72985 
1 1 1   16   10   14 o  175.662   15.376   77.693   11.679   74.027   20.512   79.451   14.206  170.402   25.757  180.923   16.802 -10.52087 30.75221 
1 1 1   16   10   15 o  170.748   23.932   73.717   19.098   0.0000   0.0000   73.717   19.098  ?   ?   170.748   23.932      ?      ? 
1 1 1   16   10   17 o  262.551   20.807  181.437   24.023  179.992   29.514  184.274   41.354  266.375   23.708  258.727   34.201 7.647919 41.61423 
1 1 1   16   10   18 o  180.439   15.896   85.381   12.368   93.277   15.368   70.861   20.840  195.640   16.808  165.239   26.986 30.40027 31.79202 
1 1 1   16   10   19 o  216.453   14.050  116.060   14.175  125.677   20.090  106.526   20.002  225.891   19.030  207.015   20.674 18.87633 28.09907 
1 1 1   16   10   20 o  110.946   14.094   30.264   6.8741   27.082   8.6676   35.657   11.285  103.698   18.567  118.193   21.210 -14.49559 28.18844 
1 1 1   16   10   21 o  211.354   13.552  110.151   13.373  105.499   18.998  114.720   18.827  206.635   19.672  216.073   18.644 -9.438538 27.10357 
1 1 1   16   10   22 o  318.092   19.765  264.010   29.346  278.295   41.554  249.799   41.448  327.629   27.139  308.555   28.743 19.07458 39.53063 
1 1 1   16   10   23 o  119.438   11.365   34.478   6.3264   38.229   9.2258   31.147   8.6919  125.647   15.711  113.229   16.425 12.41805 22.72942 
1 1 1   16   10   24 o  124.656   11.896   37.771   6.9276   38.945   9.9599   36.671   9.6420  126.524   16.844  122.788   16.802 3.736107 23.79135 
1 1 1   16   10   25 o  100.975   12.553   25.307   5.7847   27.715   8.2791   23.010   8.0860  106.698   16.603   95.252   18.832 11.44626 25.10552 
1 1 1   16   10   26 f  244.304   15.564  151.045   17.769  153.697   25.269  148.451   24.993  246.490   21.935  242.118   22.087 4.371399 31.12864 
1 1 1   16   10   27 o  167.269   12.586   69.347   9.8042   64.248   14.043   74.196   13.694  160.786   18.689  173.753   16.864 -12.96671 25.17245 
1 1 1   16   10   28 o  105.080   12.906   27.719   6.1667   26.861   9.0901   28.451   8.3935  102.383   19.713  107.778   16.664 -5.395409 25.81237 
1 1 1   16   10   29 o  172.598   17.903   80.153   12.920   85.107   15.924   70.608   22.103  185.527   18.366  159.669   30.736 25.85802 35.80521 
1 1 1   16   10   30 o  107.438   13.416   29.916   6.4238   22.834   9.3675   36.202   8.8259   93.113   21.894  121.763   15.510 -28.65053 26.83119 
1 1 1   16   10   31 o   48.329   13.965   2.8294   5.0712  -1.6522   8.5781   5.2372   6.2876   45.508   20.202   51.149   19.288 -5.640305 27.93088 
1 1 1   16   10   32 o  122.549   13.799   33.895   7.2794   57.319   12.956   23.090   8.7996  151.358   18.316   93.740   20.644 57.61842 27.59809 
1 1 1   16   10   33 o  107.695   12.931   29.351   6.3776   30.749   9.2833   28.101   8.7766  110.882   17.914  104.508   18.654 6.372986 25.86269 
1 1 1   16   10   34 o   74.962   14.095   13.926   5.3793   23.056   8.1346   6.8315   7.1710   94.092   19.150   55.832   20.688 38.26001 28.19076 
1 1 1   16   10   35 o   69.558   17.703   8.9546   6.0622   20.478   14.014   6.3016   6.7239   85.240   29.204   53.875   20.019 31.36528 35.40633 
1 1 1   16   10   36 o   48.043   13.641   1.7519   5.5950 -24.5831   12.646   8.1611   6.2388   38.625   19.093   57.462   19.487 -18.83714 27.28124 
1 1 1   16   10   37 o   58.404   16.992   5.5759   7.0584   4.6706   12.856   5.9666   8.4451   61.029   25.906   55.779   21.994 5.249371 33.98315 
1 1 1   16   10   38 o   40.455   18.780  -5.5402   8.5134  -5.5402   8.5134   0.0000   0.0000   40.455   18.780  ?   ?       ?      ? 
1 1 1   16   10   39 o   73.082   15.404   13.768   5.0954   13.768   5.0954   0.0000   0.0000   73.082   15.404  ?   ?       ?      ? 
1 1 1   16   10   40 o  101.105   13.238   25.279   6.2550   25.279   6.2550   0.0000   0.0000  101.105   13.238  ?   ?       ?      ? 
1 1 1   16   10   41 o   74.204   15.017   14.242   5.0291   14.242   5.0291   0.0000   0.0000   74.204   15.017  ?   ?       ?      ? 
1 1 1   16   10   42 o   96.214   14.797   23.239   6.6534   23.239   6.6534   0.0000   0.0000   96.214   14.797  ?   ?       ?      ? 
1 1 1   16   10   43 o   89.346   30.310   26.550   15.094   26.550   15.094   0.0000   0.0000   89.346   30.310  ?   ?       ?      ? 
1 1 1   16   10   44 o   79.338   19.135   21.250   9.1096   12.526   15.039   26.307   11.449   67.573   28.314   91.102   25.748 -23.52872 38.27081 
1 1 1   16   10   45 o   90.076   28.039   27.132   13.065   0.0000   0.0000   27.132   13.065  ?   ?    90.076   28.039      ?      ? 
1 1 1   16   10   46 o   68.723   26.078   14.242   11.539   0.0000   0.0000   14.242   11.539  ?   ?    68.723   26.078      ?      ? 
1 1 1   16   10   47 o   35.501   12.057  -3.2259   3.4140  -3.5792   3.6296  -0.5148   10.055   24.834   11.758   46.168   21.053 -21.33336 24.11382 
1 1 1   16   10   48 o   64.654   17.981   13.586   8.9182   1.5487   14.532   20.859   11.295   53.137   24.620   76.171   26.213 -23.03468 35.96223 
1 1 1   16   10   49 o   48.949   15.230   3.5085   6.6971   0.9984   8.8565   6.8603   10.234   44.578   20.100   53.320   22.885 -8.742294 30.45906 
1 1 1   16   10   50 o   36.986   12.354  -2.7856   4.2311  -3.5533   4.6949   0.5343   9.7631   28.749   13.538   45.223   20.670 -16.47314 24.70896 
1 1 1   16   10   51 o   59.418   15.809   9.0702   5.4135   5.2955   6.2782   20.012   10.689   46.390   18.737   72.445   25.467 -26.05504 31.61702 
1 1 1   16   10   52 o   62.667   16.163   11.701   5.8713   6.5172   6.9899   24.122   10.820   48.211   19.660   77.124   25.661 -28.91290 32.32649 
1 1 1   16   11    0 o  176.120   12.539   75.936   14.257   75.936   14.257   75.936   14.257  176.120   17.733  176.120   17.733 -0.000000 0.000000 
1 1 1   16   11    1 o  262.163   14.252  168.445   17.062  167.186   27.056  169.276   21.984  260.037   22.263  264.288   17.799 -4.250549 28.50368 
1 1 1   16   11    2 o  396.574   16.814  392.205   31.111  367.601   43.990  416.826   44.004  383.298   24.557  409.849   22.973 -26.55093 33.62762 
1 1 1   16   11    3 o  161.656   9.7102   61.326   7.2426   69.248   11.397   55.961   9.3803  170.101   14.337  153.212   13.100 16.88881 19.42044 
1 1 1   16   11    4 o  119.886   7.6772   34.047   4.2971   32.025   6.0224   36.144   6.1332  116.225   11.087  123.547   10.622 -7.321930 15.35443 
1 1 1   16   11    5 o  174.975   8.7845   72.859   7.1830   72.537   10.089   73.191   10.229  174.598   12.364  175.353   12.482 -0.7551727 17.56894 
1 1 1   16   11    6 o  258.824   11.518  161.592   13.932  160.427   19.719  162.752   19.686  257.856   16.363  259.792   16.214 -1.935608 23.03583 
1 1 1   16   11    7 o  251.174   14.009  155.012   16.022  156.601   20.571  152.562   25.546  254.191   17.316  248.157   22.027 6.034607 28.01828 
1 1 1   16   11    8 o  121.321   11.049   35.740   6.2107   39.175   8.5540   31.911   9.0320  127.827   14.319  114.815   16.832 13.01174 22.09874 
1 1 1   16   11    9 o  147.297   14.563   55.878   9.0403   48.441   15.312   59.857   11.201  136.906   24.846  157.687   15.199 -20.78102 29.12634 
1 1 1   16   11   10 o  163.679   17.396   78.838   10.972   43.050   18.550   98.098   13.608  125.269   31.668  202.089   14.408 -76.82005 34.79142 
1 1 1   16   11   11 o   67.105   13.035   11.913   4.4017   6.5519   7.1419   15.197   5.5896   56.222   20.680   77.989   15.876 -21.76657 26.07087 
1 1 1   16   11   12 o  120.925   15.707   37.568   8.5211   25.629   11.842   50.389   12.271   98.411   25.529  143.438   18.305 -45.02676 31.41367 
1 1 1   16   11   13 f  214.553   21.015  121.967   20.967  110.395   29.817  133.285   29.489  202.984   31.431  226.121   27.905 -23.13699 42.03088 
1 1 1   16   11   14 o  123.863   12.887   36.672   7.2870   33.335   9.2068   42.269   11.923  116.950   16.845  130.776   19.507 -13.82607 25.77374 
1 1 1   16   11   15 o  181.730   25.722   84.963   21.846   84.963   21.846   0.0000   0.0000  181.730   25.722  ?   ?       ?      ? 
1 1 1   16   11   16 o  111.779   14.836   31.407   7.4850   50.850   11.281   16.115   10.005  144.508   16.703   79.051   24.525 65.45682 29.67247 
1 1 1   16   11   17 o  204.919   13.649  104.150   12.949   89.015   18.383  119.055   18.242  189.192   20.791  220.645   17.690 -31.45311 27.29832 
1 1 1   16   11   18 o  109.499   11.937   30.394   5.7540   22.702   8.3716   37.281   7.9217   94.379   19.620  124.618   13.602 -30.23949 23.87352 
1 1 1   16   11   19 o  117.803   11.565   33.593   6.3502   37.177   9.2652   30.417   8.7206  123.801   16.014  111.806   16.689 11.99546 23.12943 
1 1 1   16   11   20 f  191.957   13.306   91.000   11.874   81.941   16.960   99.709   16.629  181.956   19.944  201.958   17.619 -20.00208 26.61140 
1 1 1   16   11   21 o   71.242   12.526   11.941   4.4943   21.154   6.8552   4.9951   5.9520   92.064   16.541   50.419   18.815 41.64464 25.05185 
1 1 1   16   11   22 o  168.713   12.262   69.365   9.6388   76.706   13.843   62.457   13.429  177.638   16.675  159.788   17.983 17.85020 24.52401 
1 1 1   16   11   23 o  221.074   14.221  121.173   14.676  115.436   20.838  126.819   20.672  215.512   20.689  226.635   19.517 -11.12299 28.44192 
1 1 1   16   11   24 o   75.436   14.005   14.672   4.9951   14.264   7.3307   15.026   6.8246   74.379   20.452   76.493   19.138 -2.114220 28.00970 
1 1 1   16   11   25 f   69.347   13.397   11.587   4.9570   19.988   7.2331   4.1459   6.8068   88.510   18.097   50.184   19.759 38.32660 26.79387 
1 1 1   16   11   26 o  138.185   12.418   48.001   7.8082   37.039   11.263   58.143   10.834  121.706   19.802  154.664   14.989 -32.95825 24.83526 
1 1 1   16   11   27 o  178.836   12.735   78.855   10.641   79.864   15.253   77.899   14.852  179.880   18.144  177.792   17.875 2.088211 25.46967 
1 1 1   16   11   28 o  109.437   12.887   29.846   6.3647   36.674   9.3577   23.969   8.6822  122.423   16.356   96.452   19.920 25.97025 25.77451 
1 1 1   16   11   29 o   62.152   13.342   9.0809   4.8256   1.5134   7.0165   15.873   6.6474   45.861   19.284   78.443   18.443 -32.58177 26.68381 
1 1 1   16   11   30 o  124.379   15.303   40.503   8.1578   38.726   13.885   41.440   10.081  119.218   25.679  129.540   16.652 -10.32139 30.60543 
1 1 1   16   11   31 o  102.756   15.674   29.928   7.1717   20.475   12.062   35.097   8.9194   86.172   26.961  119.339   15.992 -33.16667 31.34713 
1 1 1   16   11   32 o  231.419   25.193  172.480   22.644  118.561   39.095  199.698   27.777  184.178   45.650  278.660   21.329 -94.48166 50.38669 
1 1 1   16   11   33 o   99.753   14.061   26.011   6.3916   23.155   9.4364   28.433   8.6882   92.860   22.069  106.646   17.432 -13.78519 28.12297 
1 1 1   16   11   34 o  179.435   21.200   91.844   17.346  101.103   25.061   83.330   24.033  190.558   28.140  168.312   31.716 22.24532 42.39989 
1 1 1   16   11   35 o   64.541   18.184   8.5028   8.1891   7.7175   12.699   9.0618   10.714   64.805   26.472   64.276   24.938 0.5291901 36.36892 
1 1 1   16   11   36 o  151.185   32.606   69.557   22.361   69.557   22.361   0.0000   0.0000  151.185   32.606  ?   ?       ?      ? 
1 1 1   16   11   37 o  152.382   18.884   59.538   13.448   59.538   13.448   0.0000   0.0000  152.382   18.884  ?   ?       ?      ? 
1 1 1   16   11   38 o   62.367   16.036   9.1872   6.2692   4.8196   8.8428   13.601   8.8894   54.102   22.094   70.632   23.248 -16.53050 32.07163 
1 1 1   16   11   39 o   65.579   16.257   11.505   6.1432   11.776   9.0966   11.277   8.3297   66.250   23.472   64.908   22.500 1.341995 32.51476 
1 1 1   16   11   40 o   39.608   13.459  -8.5855   6.2233  -9.8213   12.243  -8.1548   7.2266   45.332   21.501   33.885   16.196 11.44751 26.91845 
1 1 1   16   11   41 o   53.056   15.734   4.5401   5.9116  -1.4497   13.383   5.9921   6.5893   54.128   24.529   51.984   19.711 2.143963 31.46776 
1 1 1   16   11   42 o   58.788   16.917   5.4613   8.1859  -7.4387   13.093   13.740   10.489   48.138   22.650   69.438   25.134 -21.29986 33.83387 
1 1 1   16   11   43 o   51.919   14.150   6.3194   4.1213   6.8248   4.4725   3.4749   10.610   50.912   16.475   52.925   23.009 -2.012566 28.29934 
1 1 1   16   11   44 o   76.934   14.590   15.683   7.6146   34.433   10.189  -8.0349   11.460  110.223   20.536   43.645   20.730 66.57732 29.17946 
1 1 1   16   11   45 o   57.759   17.077   5.7268   8.4347  -6.6497   14.050   12.701   10.547   49.367   23.300   66.151   24.972 -16.78407 34.15393 
1 1 1   16   11   46 o   60.672   14.674   8.1404   4.3328   5.4756   4.8840   17.989   9.3891   46.706   17.113   74.638   23.841 -27.93169 29.34713 
1 1 1   16   11   47 o   59.493   15.456   8.6647   4.5673   7.0847   5.0279   16.122   10.923   50.658   17.485   68.329   25.491 -17.67097 30.91157 
1 1 1   16   11   48 o   40.361   11.876   2.6064   3.8562   5.2609   4.1681 -13.1651   10.160   44.728   15.884   35.994   17.658 8.734463 23.75124 
1 1 1   16   11   49 o   58.148   14.643   9.6374   4.4071   8.7808   4.9716   12.780   9.5231   54.782   17.333   61.515   23.607 -6.733189 29.28653 
1 1 1   16   11   50 o   38.551   12.077   1.4521   3.7421   2.3478   4.1266  -2.6937   8.8778   36.721   15.056   40.380   18.888 -3.659142 24.15422 
1 1 1   16   11   51 o   59.682   15.498   11.399   5.0203   10.366   5.6491   15.280   10.950   57.283   18.513   62.082   24.860 -4.799316 30.99626 
1 1 1   16   12    0 o  228.521   14.345  128.104   21.273  128.104   21.273  128.104   21.273  228.521   20.287  228.521   20.287 -0.000000 0.000000 
1 1 1   16   12    1 f  270.400   14.464  180.859   17.848  177.727   28.263  182.936   23.018  266.825   22.665  273.974   17.977 -7.148926 28.92868 
1 1 1   16   12    2 o  350.505   14.463  303.191   23.682  294.038   33.511  312.324   33.473  344.912   20.789  356.097   20.113 -11.18533 28.92627 
1 1 1   16   12    3 o  244.795   11.308  144.844   12.936  146.537   18.308  143.156   18.281  246.266   15.907  243.324   16.076 2.942780 22.61532 
1 1 1   16   12    4 o  185.702   9.2424   82.502   8.0153   85.741   11.303   79.227   11.368  189.468   12.765  181.937   13.369 7.530411 18.48474 
1 1 1   16   12    5 o  163.574   10.495   65.287   7.8024   60.202   12.277   68.733   10.106  157.528   16.676  169.621   12.748 -12.09320 20.99053 
1 1 1   16   12    6 o  219.112   11.119  115.617   11.176  118.426   17.645  113.735   14.442  220.652   17.110  217.572   14.203 3.080383 22.23747 
1 1 1   16   12    7 o  167.138   11.461   67.762   8.9315   62.132   12.554   73.531   12.709  159.880   16.802  174.396   15.593 -14.51642 22.92277 
1 1 1   16   12    8 o  329.011   19.511  281.122   29.976  268.289   42.288  294.082   42.497  320.714   28.214  337.309   26.958 -16.59497 39.02213 
1 1 1   16   12    9 f  223.656   17.152  124.626   16.932  119.576   20.657  134.967   29.558  219.695   20.118  227.616   27.786 -7.920090 34.30489 
1 1 1   16   12   10 o   96.448   11.920   18.073   4.7946   10.680   5.5545   39.683   9.4968   64.994   17.775  127.902   15.888 -62.90833 23.84010 
1 1 1   16   12   11 o   99.601   13.821   25.100   5.9336   25.419   7.2565   24.457   10.308  102.521   15.145   96.680   23.124 5.841637 27.64218 
1 1 1   16   12   12 o  272.330   20.189  188.803   24.455  175.562   29.924  215.429   42.435  262.464   24.395  282.197   32.176 -19.73364 40.37865 
1 1 1   16   12   13 o  161.915   14.332   64.720   10.403   63.882   12.986   66.221   17.379  161.788   17.175  162.041   22.948 -0.2528381 28.66336 
1 1 1   16   12   14 o   70.944   13.135   12.907   4.4088   11.564   6.6352   13.968   5.8995   67.610   19.757   74.277   17.314 -6.666962 26.27050 
1 1 1   16   12   15 o  135.346   17.827   48.219   10.887   56.560   15.033   39.019   15.788  150.581   21.362  120.112   28.547 30.46906 35.65423 
1 1 1   16   12   16 o  285.005   24.263  229.298   29.326  199.276   50.744  244.353   35.934  260.457   41.688  309.554   24.838 -49.09659 48.52637 
1 1 1   16   12   17 o  135.216   13.357   43.641   8.2475   39.023   10.411   51.423   13.514  126.339   17.633  144.093   20.068 -17.75387 26.71388 
1 1 1   16   12   18 o  122.466   11.225   36.253   6.3994   40.928   9.2985   32.046   8.8206  130.105   15.293  114.828   16.436 15.27704 22.45033 
1 1 1   16   12   19 o  240.411   15.018  143.983   16.871  147.100   23.982  140.930   23.739  243.076   21.111  237.747   21.365 5.329391 30.03552 
1 1 1   16   12   20 o  182.158   11.943   80.660   10.099   93.389   14.593   68.959   13.992  196.350   15.903  167.967   17.824 28.38385 23.88684 
1 1 1   16   12   21 o   70.932   13.709   13.000   4.7178   10.525   7.1527   14.906   6.2767   65.230   20.806   76.634   17.856 -11.40321 27.41786 
1 1 1   16   12   22 o  134.286   11.265   43.851   7.0674   44.788   10.165   42.974   9.8331  135.640   16.035  132.933   15.828 2.707565 22.53060 
1 1 1   16   12   23 o  168.741   12.672   70.402   9.9869   68.502   14.229   72.246   14.021  166.296   18.308  171.186   17.525 -4.889435 25.34379 
1 1 1   16   12   24 o   71.371   14.281   13.143   5.1291   9.1145   7.3428   16.982   7.1677   61.648   21.139   81.094   19.208 -19.44592 28.56258 
1 1 1   16   12   25 o   52.233   13.448   4.7242   4.5201   9.7185   6.6902   0.5299   6.1311   62.620   20.138   41.846   17.830 20.77425 26.89686 
1 1 1   16   12   26 o  157.493   12.312   61.465   8.9557   51.563   12.740   71.138   12.592  144.149   18.911  170.837   15.771 -26.68852 24.62435 
1 1 1   16   12   27 o  113.905   12.303   32.024   6.5398   32.248   9.5202   31.824   8.9991  114.122   17.850  113.688   16.937 0.4339676 24.60666 
1 1 1   16   12   28 o  111.163   12.518   31.147   6.3271   28.501   9.0702   33.655   8.8305  105.334   19.129  116.992   16.151 -11.65767 25.03550 
1 1 1   16   12   29 o   86.602   14.947   22.341   7.1435   32.622   8.7785   2.1865   12.290  114.987   16.335   58.217   25.036 56.77005 29.89360 
1 1 1   16   12   30 f   48.954   14.561  -2.0111   6.0655  -9.2050   7.8902   8.3828   9.4840   35.654   17.009   62.253   23.637 -26.59920 29.12109 
1 1 1   16   12   31 o  141.964   19.052   55.882   12.273   64.067   17.061   47.105   17.667  156.289   23.358  127.639   30.105 28.65079 38.10400 
1 1 1   16   12   32 o  131.467   15.888   44.463   9.1115   41.679   11.245   49.786   15.547  128.375   18.743  134.558   25.659 -6.182465 31.77542 
1 1 1   16   12   33 o   92.561   30.450   25.192   15.251   25.192   15.251   0.0000   0.0000   92.561   30.450  ?   ?       ?      ? 
1 1 1   16   12   34 o  150.983   18.977   62.900   13.060   71.654   19.675   56.006   17.461  161.617   26.048  140.349   27.604 21.26797 37.95412 
1 1 1   16   12   35 o  109.260   16.243   36.777   8.1574   48.454   10.317   17.300   13.324  139.431   15.832   79.088   28.367 60.34251 32.48575 
1 1 1   16   12   36 f   68.705   22.017   12.629   8.0026   12.629   8.0026   0.0000   0.0000   68.705   22.017  ?   ?       ?      ? 
1 1 1   16   12   37 o   81.278   18.928   18.357   7.9286   22.168   14.020   16.564   9.6136   85.835   29.211   76.721   24.080 9.113503 37.85677 
1 1 1   16   12   38 o  121.803   20.516   45.670   11.417   45.436   17.652   45.838   14.969  118.858   31.332  124.748   26.494 -5.889885 41.03261 
1 1 1   16   12   39 o   98.265   18.658   25.745   8.2551   0.0000   0.0000   25.745   8.2551  ?   ?    98.265   18.658      ?      ? 
1 1 1   16   12   40 o   49.411   15.029   2.7330   5.6747  -4.0045   12.623   4.4396   6.3529   50.494   23.235   48.329   19.070 2.165165 30.05865 
1 1 1   16   12   41 o  107.570   17.444   32.184   7.7309   39.173   15.350   29.809   8.9488  110.275   29.289  104.866   18.957 5.408821 34.88890 
1 1 1   16   12   42 o   40.793   11.546   2.8017   2.9572   2.5373   3.3938   3.6355   6.0273   36.426   14.063   45.161   18.317 -8.734230 23.09255 
1 1 1   16   12   43 o   46.950   13.855   2.6654   3.2873   2.0534   3.4680   8.0827   10.318   35.293   14.038   58.607   23.892 -23.31448 27.71037 
1 1 1   16   12   44 o   48.372   14.810   1.3922   6.4821   6.3067   8.5957  -5.0873   9.8700   54.039   21.889   42.705   19.956 11.33427 29.62070 
1 1 1   16   12   45 o   55.283   16.526   6.3826   7.5228   2.0845   10.902   10.289   10.393   50.328   22.528   60.239   24.186 -9.910633 33.05240 
1 1 1   16   12   46 o   60.784   18.135   9.8603   8.5749   16.874   14.077   5.7224   10.812   68.186   27.864   53.383   23.218 14.80336 36.26958 
1 1 1   16   12   47 o   63.245   17.158   12.679   7.4005   6.7102   10.146   19.464   10.818   53.260   22.821   73.231   25.627 -19.97134 34.31550 
1 1 1   16   12   48 o   42.546   12.438   3.7610   3.7302   4.9131   4.1118  -1.5946   8.8656   43.464   15.736   41.627   19.267 1.836407 24.87686 
1 1 1   16   12   49 o   33.531   11.617  -4.9356   3.1334  -5.7868   3.3162   2.1519   9.5691   20.643   10.120   46.419   20.915 -25.77555 23.23466 
1 1 1   16   12   50 o   51.893   14.747   7.0634   4.5454   5.9384   5.0394   11.972   10.527   46.065   17.288   57.722   23.895 -11.65728 29.49347 
1 1 1   16   13    0 f  172.960   18.761   77.874   19.947   77.874   19.947   77.874   19.947  172.960   26.532  172.960   26.532 -0.000000 0.000000 
1 1 1   16   13    1 o   96.546   13.265   25.012   5.2947   19.262   9.5932   27.531   6.3493   85.838   23.311  107.254   12.667 -21.41571 26.53046 
1 1 1   16   13    2 o   69.838   11.602   12.217   3.4437   12.193   6.5054   12.227   4.0590   69.224   19.354   70.451   12.799 -1.227386 23.20376 
1 1 1   16   13    3 o  111.053   8.5704   28.282   4.3257   39.770   6.8528   20.673   5.5774  129.202   11.349   92.904   12.846 36.29836 17.14082 
1 1 1   16   13    4 o   85.650   10.374   18.085   3.9610   24.055   5.7619   12.735   5.4543  100.314   12.290   70.985   16.717 29.32839 20.74874 
1 1 1   16   13    5 o   99.525   9.2723   23.863   4.2906   21.644   6.1611   25.953   5.9787   94.854   13.898  104.196   12.278 -9.342155 18.54459 
1 1 1   16   13    6 o  168.285   14.178   68.099   10.551   63.841   12.825   77.019   18.562  161.776   16.962  174.794   22.723 -13.01816 28.35554 
1 1 1   16   13    7 o  191.510   14.064   87.111   10.932   83.390   12.556   98.766   22.224  185.978   14.446  197.041   24.134 -11.06293 28.12721 
1 1 1   16   13    8 o  251.683   16.968  154.462   19.959  154.462   19.959   0.0000   0.0000  251.683   16.968  ?   ?       ?      ? 
1 1 1   16   13    9 o  143.005   12.004   46.692   6.9357   43.771   7.9085   56.425   14.434  135.287   12.508  150.724   20.491 -15.43733 24.00720 
1 1 1   16   13   10 o  311.787   15.977  238.532   22.947  210.645   29.558  280.841   36.407  290.167   21.796  333.407   23.365 -43.24084 31.95308 
1 1 1   16   13   11 o  190.498   12.240   88.547   10.893   85.510   15.316   91.656   15.497  187.096   17.516  193.900   17.101 -6.804733 24.47962 
1 1 1   16   13   12 o  204.427   12.997  102.622   12.373   92.317   17.374  113.226   17.624  193.556   19.207  215.297   17.515 -21.74089 25.99398 
1 1 1   16   13   13 o  170.553   11.775   70.623   9.3724   76.073   13.565   65.645   12.965  176.936   16.405  164.170   16.897 12.76604 23.55063 
1 1 1   16   13   14 o  150.441   12.218   49.333   8.1163   79.588   14.419   35.301   9.8197  180.674   17.076  120.208   17.479 60.46593 24.43598 
1 1 1   16   13   15 o  147.485   17.275   55.732   11.505   45.405   15.776   67.463   16.814  130.808   26.710  164.162   21.916 -33.35361 34.55048 
1 1 1   16   13   16 o  143.774   15.219   54.716   9.0529   44.834   15.510   59.822   11.149  130.185   26.395  157.363   15.160 -27.17734 30.43879 
1 1 1   16   13   17 o  215.724   14.439  115.299   14.554  118.582   20.721  112.102   20.446  218.850   20.260  212.597   20.578 6.253510 28.87742 
1 1 1   16   13   18 o  188.722   12.627   88.074   10.903   68.205   15.397  108.058   15.442  166.142   19.830  211.303   15.637 -45.16040 25.25363 
1 1 1   16   13   19 o  208.700   14.101  108.354   13.676   96.215   19.399  120.350   19.284  196.290   21.146  221.110   18.661 -24.81941 28.20266 
1 1 1   16   13   20 o  433.033   29.803  569.853   59.667  495.309   84.349  644.515   84.415  396.219   45.551  469.846   38.443 -73.62732 59.60551 
1 1 1   16   13   21 o  197.749   13.404   97.300   12.386   98.260   17.674   96.374   17.364  198.656   19.036  196.843   18.875 1.813004 26.80797 
1 1 1   16   13   22 o  233.938   18.962  142.449   19.528  138.579   23.886  150.250   33.909  233.692   21.871  234.185   30.983 -0.4924469 37.92424 
1 1 1   16   13   23 o   83.514   16.386   16.972   6.3504   13.666   7.7414   23.772   11.104   72.766   21.363   94.262   24.852 -21.49555 32.77197 
1 1 1   16   13   24 o  142.926   15.273   50.267   9.6910   47.448   11.851   55.956   16.837  138.538   18.304  147.314   24.455 -8.775909 30.54627 
1 1 1   16   13   25 o  102.461   16.509   27.787   7.4016   27.739   9.0667   27.883   12.815  104.032   19.361  100.891   26.746 3.141479 33.01795 
1 1 1   16   13   26 o  184.656   19.241   85.522   16.605   85.522   16.605   0.0000   0.0000  184.656   19.241  ?   ?       ?      ? 
1 1 1   16   13   27 o   85.346   16.831   19.987   6.8284   21.284   8.3681   17.401   11.813   90.102   20.353   80.591   26.812 9.511284 33.66213 
1 1 1   16   13   28 o   84.128   16.378   16.843   6.5478   11.170   8.0175   28.205   11.346   66.357   22.090  101.898   24.188 -35.54034 32.75679 
1 1 1   16   13   29 o  105.876   15.102   25.868   7.2084   15.318   8.8331   46.902   12.472   75.764   22.960  135.988   19.625 -60.22374 30.20420 
1 1 1   16   13   30 o   79.336   13.892   18.044   6.1844   1.7052   10.241   27.424   7.7592   53.302   22.885  105.370   15.756 -52.06789 27.78498 
1 1 1   16   13   31 o  111.068   25.699   34.390   13.075   0.0000   0.0000   34.390   13.075  ?   ?   111.068   25.699      ?      ? 
1 1 1   16   13   32 o  102.094   19.663   30.981   9.6255   25.716   16.079   33.921   12.017   92.928   31.285  111.260   23.828 -18.33304 39.32553 
1 1 1   16   13   33 o   73.299   18.929   14.021   8.2579   12.545   14.181   14.778   10.158   72.652   28.547   73.947   24.866 -1.295364 37.85843 
1 1 1   16   13   34 o  103.224   20.505   28.407   9.5434   28.407   9.5434   0.0000   0.0000  103.224   20.505  ?   ?       ?      ? 
1 1 1   16   13   35 o  123.633   20.719   46.213   11.643   42.636   18.659   48.494   14.900  115.777   32.923  131.489   25.163 -15.71193 41.43766 
1 1 1   16   13   36 o  106.618   18.268   33.621   8.3417   30.608   16.793   34.608   9.6113   97.181   31.951  116.054   17.721 -18.87286 36.53614 
1 1 1   16   13   37 o   77.536   16.791   19.117   7.5615   1.9370   15.340   24.632   8.6907   60.102   26.826   94.970   20.202 -34.86795 33.58172 
1 1 1   16   13   38 o  145.771   15.630   53.170   10.061   72.986   18.233   44.495   12.064  161.811   24.111  129.732   19.898 32.07959 31.26096 
1 1 1   16   13   39 f   52.552   14.500   5.1496   5.4904  -0.4189   8.3399   9.4089   7.2940   45.026   19.956   60.078   21.042 -15.05188 29.00040 
1 1 1   16   13   40 o   38.673   12.566  -3.1294   5.0634  -2.7151   8.1020  -3.3950   6.4860   41.313   18.862   36.033   16.608 5.280029 25.13216 
1 1 1   16   13   41 o   67.990   13.443   12.687   5.8587  -2.9277   9.0554   23.929   7.6836   42.822   19.696   93.157   18.301 -50.33498 26.88584 
1 1 1   16   13   42 o   85.886   15.339   20.984   6.0745   25.380   9.6462   18.094   7.8198   92.689   22.496   79.083   20.858 13.60571 30.67759 
1 1 1   16   13   43 o   56.104   14.027   5.0147   3.6219   2.9408   3.9394   16.345   9.2079   38.937   15.118   73.272   23.631 -34.33455 28.05332 
1 1 1   16   13   44 o   66.929   15.442   10.533   4.4349   8.4028   4.8557   21.247   10.891   54.860   17.096   78.997   25.719 -24.13628 30.88314 
1 1 1   16   13   45 o   62.627   15.199   11.951   4.9238   12.188   5.4824   10.959   11.196   64.940   17.617   60.314   24.772 4.625408 30.39726 
1 1 1   16   13   46 o   85.544   18.333   25.005   7.8581   19.333   9.9499   34.408   12.811   74.203   24.604   96.886   27.185 -22.68243 36.66573 
1 1 1   16   13   47 f   52.350   15.213   7.1310   6.1244   10.139   8.4074   3.7304   8.9393   57.035   22.102   47.665   20.912 9.369358 30.42657 
1 1 1   16   13   48 o   60.335   16.891   12.312   7.2486   15.369   9.8009   8.6195   10.770   65.543   24.206   55.127   23.563 10.41603 33.78111 
1 1 1   16   13   49 o   91.456   21.989   40.225   11.175   48.124   17.097   34.333   14.766   98.234   32.236   84.677   29.915 13.55745 43.97840 
1 1 1   16   14    1 f  193.495   27.296   97.159   24.684   97.159   24.684   0.0000   0.0000  193.495   27.296  ?   ?       ?      ? 
1 1 1   16   14    2 o  297.005   29.613  259.781   41.073  252.423   58.378  266.993   57.798  291.372   42.870  302.639   40.864 -11.26691 59.22624 
1 1 1   16   14    3 o  152.278   15.059   65.437   9.0379   80.562   11.352   39.252   14.937  183.310   13.251  121.247   27.047 62.06276 30.11852 
1 1 1   16   14    4 o   98.350   15.048   23.360   6.9167   23.360   6.9167   0.0000   0.0000   98.350   15.048  ?   ?       ?      ? 
1 1 1   16   14    5 o  155.744   12.593   58.009   9.1661   58.009   9.1661   0.0000   0.0000  155.744   12.593  ?   ?       ?      ? 
1 1 1   16   14    6 o  406.331   30.478  470.610   49.632  451.379   57.291  528.457   99.363  413.472   29.648  399.190   53.260 14.28116 60.95620 
1 1 1   16   14    7 o  171.337   15.750   78.077   10.085   81.869   11.631   66.590   20.246  184.714   13.473  157.961   28.472 26.75314 31.49946 
1 1 1   16   14    8 o  194.223   16.149   99.392   12.189  103.926   14.074   85.786   24.382  207.678   14.501  180.768   28.861 26.91046 32.29900 
1 1 1   16   14    9 o  115.947   13.752   36.757   5.9935   39.801   6.9429   27.854   11.874  129.246   11.494  102.648   24.986 26.59784 27.50327 
1 1 1   16   14   10 o  231.608   16.603  128.949   17.170  114.260   20.932  159.158   30.019  214.272   20.903  248.944   25.801 -34.67183 33.20623 
1 1 1   16   14   11 o  211.504   17.723  115.794   16.223  118.993   19.815  109.290   28.253  219.669   19.301  203.339   29.730 16.33037 35.44576 
1 1 1   16   14   12 o  185.663   20.064  100.219   14.623  117.004   17.908   66.635   25.331  218.873   17.507  152.453   36.109 66.42075 40.12884 
1 1 1   16   14   13 o  144.152   16.496   50.485   11.113   50.485   11.113   0.0000   0.0000  144.152   16.496  ?   ?       ?      ? 
1 1 1   16   14   14 o  159.609   18.047   66.209   12.916   52.941   18.142   79.844   18.391  140.538   28.595  178.680   22.024 -38.14114 36.09335 
1 1 1   16   14   15 o  234.366   23.415  150.394   24.576  122.235   34.636  178.942   34.875  207.200   37.132  261.532   28.533 -54.33191 46.82904 
1 1 1   16   14   16 o  223.391   16.838  119.879   16.867  103.678   20.633  152.520   29.286  203.402   21.705  243.380   25.748 -39.97789 33.67582 
1 1 1   16   14   17 o  369.768   29.936  399.123   49.198  363.491   60.203  470.757   85.361  357.626   36.020  381.910   47.825 -24.28333 59.87251 
1 1 1   16   14   18 o  264.324   18.456  167.642   21.797  129.064   26.574  246.958   38.104  222.379   25.569  306.268   26.621 -83.88953 36.91127 
1 1 1   16   14   19 o  150.860   17.372   62.206   10.744   66.939   13.068   52.332   18.874  165.003   16.946  136.718   30.332 28.28484 34.74466 
1 1 1   16   14   20 o  133.936   17.454   44.152   10.925   44.152   10.925   0.0000   0.0000  133.936   17.454  ?   ?       ?      ? 
1 1 1   16   14   21 o  284.099   25.546  209.635   33.918  209.635   33.918   0.0000   0.0000  284.099   25.546  ?   ?       ?      ? 
1 1 1   16   14   22 f  165.001   18.595   67.474   14.339   67.474   14.339   0.0000   0.0000  165.001   18.595  ?   ?       ?      ? 
1 1 1   16   14   23 o  187.076   13.255   88.095   11.368   69.822   16.121  106.170   16.034  166.257   20.747  207.895   16.502 -41.63780 26.50986 
1 1 1   16   14   24 o   88.903   13.691   20.634   5.7012   13.694   8.1419   27.309   7.9859   72.427   22.064  105.380   16.215 -32.95246 27.38200 
1 1 1   16   14   25 o   65.158   14.707   10.680   5.1243   13.274   7.3392   8.2118   7.1579   71.259   20.766   59.057   20.832 12.20226 29.41468 
1 1 1   16   14   26 o   57.517   12.781   6.7343   4.5718   14.691   6.4610  -1.2444   6.4700   75.174   18.513   39.861   17.627 35.31269 25.56225 
1 1 1   16   14   27 o   67.220   14.768   8.8388   5.4424   2.5476   6.7304   20.724   9.2507   46.644   19.187   87.796   22.456 -41.15195 29.53667 
1 1 1   16   14   28 o  193.547   13.871   95.218   12.547   95.711   17.832   94.735   17.656  194.003   19.668  193.092   19.565 0.9108124 27.74213 
1 1 1   16   14   29 o   73.048   24.895   14.062   10.183   0.0000   0.0000   14.062   10.183  ?   ?    73.048   24.895      ?      ? 
1 1 1   16   14   30 o   61.567   23.457   8.3797   9.3604   0.0000   0.0000   8.3797   9.3604  ?   ?    61.567   23.457      ?      ? 
1 1 1   16   14   31 o  184.074   25.422  111.733   21.398   62.759   30.759  157.660   29.787  129.397   43.272  238.751   26.696 -109.3537 50.84379 
1 1 1   16   14   32 o  210.958   23.318  134.029   22.981  135.717   32.986  132.436   32.036  211.731   33.335  210.185   32.613 1.546219 46.63511 
1 1 1   16   14   33 o  127.842   19.674   46.891   11.413   55.381   17.019   39.953   15.385  139.198   27.136  116.485   28.495 22.71204 39.34824 
1 1 1   16   14   34 o  137.966   16.903   51.397   9.7458   55.250   17.715   49.724   11.671  136.578   28.667  139.354   17.920 -2.776657 33.80679 
1 1 1   16   14   35 o   87.586   18.349   22.099   7.6399   24.542   13.842   21.028   9.1618   88.887   28.998   86.286   22.490 2.601715 36.69742 
1 1 1   16   14   36 o   70.396   19.346   12.825   9.3157   16.885   12.817   8.2794   13.563   76.218   27.754   64.574   26.959 11.64367 38.69217 
1 1 1   16   14   37 o   64.165   17.829   8.7221   7.2803   6.3102   8.6972   14.369   13.308   55.778   22.216   72.552   27.891 -16.77356 35.65774 
1 1 1   16   14   38 o   95.380   14.761   24.677   6.6219   34.818   9.9036   16.479   8.9052  115.141   18.404   75.619   23.084 39.52212 29.52296 
1 1 1   16   14   39 o   56.648   14.403   7.4373   5.3537   1.0884   7.6873   13.417   7.4604   44.839   19.539   68.458   21.168 -23.61877 28.80689 
1 1 1   16   14   40 o   90.114   15.666   23.969   6.5465   26.165   9.5966   22.057   8.9532   94.066   22.189   86.163   22.121 7.903450 31.33162 
1 1 1   16   14   41 o   69.829   14.389   12.808   6.4232   25.501   8.7287  -2.1820   9.4860   94.948   20.286   44.710   20.412 50.23829 28.77822 
1 1 1   16   14   42 o  120.508   16.223   40.441   8.4667   53.981   14.655   33.656   10.373  133.301   24.423  107.715   21.360 25.58546 32.44632 
1 1 1   16   14   43 o   50.883   14.402   6.0665   5.3534   2.5457   8.3029   8.5715   7.0035   46.508   20.285   55.257   20.451 -8.749252 28.80490 
1 1 1   16   14   44 o   54.741   14.558   7.5181   4.0672   6.9876   4.4169   10.477   10.431   50.241   16.380   59.242   24.072 -9.000664 29.11605 
1 1 1   16   14   45 o   47.706   15.322   0.5571   7.6830  -5.8823   11.164   6.3506   10.589   42.427   20.238   52.984   23.011 -10.55643 30.64445 
1 1 1   16   14   46 o   38.350   11.715   1.7902   3.6697   3.5804   4.0503  -6.4168   8.6720   39.706   15.353   36.994   17.699 2.711594 23.43033 
1 1 1   16   14   47 o   41.492   13.595  -1.4504   6.2592  -0.1210   8.2611  -3.2422   9.5908   41.787   19.066   41.198   19.385 0.5895348 27.19001 
1 1 1   16   14   48 f   53.645   16.493   8.8595   7.5837   7.9341   12.992   9.3377   9.3401   53.439   24.197   53.850   22.418 -0.4107895 32.98556 
1 1 1   16   15    0 o   76.391   13.766   16.312   6.0089   16.312   6.0089   16.312   6.0089   76.391   19.468   76.391   19.468 -0.000000 0.000000 
1 1 1   16   15    1 o  144.217   9.7485   49.391   6.4529   47.028   8.2922   53.020   10.275  140.206   12.655  148.228   14.832 -8.022720 19.49707 
1 1 1   16   15    2 o  115.468   11.691   30.933   6.0559   27.467   7.4246   37.822   10.467  106.675   14.892  124.261   18.025 -17.58602 23.38102 
1 1 1   16   15    3 o  182.269   13.372   83.536   11.000  105.756   15.420   60.509   15.697  208.908   15.794  155.630   21.582 53.27774 26.74377 
1 1 1   16   15    4 o  174.040   11.771   73.638   9.5482   66.712   13.309   80.983   13.706  165.371   17.221  182.708   16.051 -17.33672 23.54126 
1 1 1   16   15    5 o  116.894   9.0232   33.559   4.7558   28.755   7.4508   36.861   6.1780  109.224   14.596  124.564   10.612 -15.34032 18.04639 
1 1 1   16   15    6 o  221.549   10.689  117.608   10.874  123.615   17.218  113.623   14.025  225.615   16.330  217.482   13.798 8.132996 21.37867 
1 1 1   16   15    7 o  192.684   12.769   90.910   11.498   91.842   16.203   89.964   16.318  193.760   17.893  191.609   18.223 2.150543 25.53878 
1 1 1   16   15    8 o  135.895   10.757   44.824   6.7867   50.037   9.5308   39.463   9.6664  144.251   14.137  127.538   16.217 16.71282 21.51436 
1 1 1   16   15    9 o  182.466   12.289   81.257   10.467   76.844   14.803   85.669   14.801  177.292   17.866  187.641   16.878 -10.34944 24.57807 
1 1 1   16   15   10 o  248.967   15.642  156.242   17.917  126.280   25.272  186.525   25.407  223.124   24.235  274.810   19.782 -51.68567 31.28374 
1 1 1   16   15   11 o  331.638   20.380  289.085   31.464  262.354   44.448  315.932   44.545  314.398   30.250  348.878   27.320 -34.47958 40.76090 
1 1 1   16   15   12 o  194.079   12.921   92.975   11.635   81.262   16.530  104.477   16.381  181.237   19.516  206.921   16.939 -25.68376 25.84195 
1 1 1   16   15   13 o  161.032   16.617   69.688   11.013   57.869   19.016   75.653   13.509  145.968   28.898  176.096   16.414 -30.12842 33.23429 
1 1 1   16   15   14 o  210.712   16.047  114.335   14.677  108.947   25.513  117.000   17.944  203.499   26.826  217.926   17.618 -14.42651 32.09436 
1 1 1   16   15   15 o  135.975   12.338   41.539   7.4519   60.326   13.313   32.967   8.9926  156.031   18.257  115.920   16.599 40.11122 24.67501 
1 1 1   16   15   16 o  166.809   14.632   69.469   10.692   71.752   18.726   68.365   13.024  166.732   24.032  166.885   16.699 -0.1524506 29.26397 
1 1 1   16   15   17 o  262.780   16.488  176.756   20.201  190.621   28.697  163.137   28.442  273.859   22.422  251.701   24.179 22.15814 32.97513 
1 1 1   16   15   18 o  248.061   15.151  155.116   17.558  150.958   24.903  159.226   24.758  244.438   21.799  251.684   21.048 -7.246170 30.30237 
1 1 1   16   15   19 o  225.237   14.867  127.866   15.578  141.605   22.096  114.289   21.965  238.161   19.852  212.312   22.137 25.84824 29.73398 
1 1 1   16   15   20 o  237.813   15.722  144.464   17.367  161.837   24.606  127.218   24.515  253.348   20.781  222.278   23.599 31.06944 31.44455 
1 1 1   16   15   21 o  241.854   15.811  150.196   17.817  138.303   25.246  161.997   25.148  231.327   23.352  252.380   21.321 -21.05339 31.62147 
1 1 1   16   15   22 o  127.856   12.138   40.350   7.2374   44.172   10.556   36.960   9.9421  133.661   16.899  122.050   17.430 11.61048 24.27698 
1 1 1   16   15   23 o  225.361   15.122  130.344   15.860  118.189   22.478  142.394   22.382  213.824   22.494  236.898   20.216 -23.07388 30.24318 
1 1 1   16   15   24 o  230.980   14.979  137.057   16.089  122.566   22.740  151.583   22.767  217.554   22.366  244.407   19.932 -26.85330 29.95861 
1 1 1   16   15   25 o  178.123   13.384   80.714   10.866  101.229   15.518   60.979   15.220  202.168   16.424  154.079   21.136 48.08932 26.76702 
1 1 1   16   15   26 o   69.624   14.873   12.587   5.3341   15.784   7.6711   9.5950   7.4221   77.072   20.810   62.177   21.253 14.89537 29.74506 
1 1 1   16   15   27 o  131.765   19.660   49.356   11.627   47.252   17.735   50.941   15.398  127.052   30.295  136.477   25.065 -9.425064 39.32015 
1 1 1   16   15   28 o  187.583   21.352  100.886   18.257  111.873   26.486   90.939   25.200  199.803   28.364  175.362   31.925 24.44069 42.70454 
1 1 1   16   15   29 o  133.704   25.803   49.832   15.540   0.0000   0.0000   49.832   15.540  ?   ?   133.704   25.803      ?      ? 
1 1 1   16   15   30 o   69.839   24.521   12.757   9.9079   0.0000   0.0000   12.757   9.9079  ?   ?    69.839   24.521      ?      ? 
1 1 1   16   15   31 o   67.019   16.653   11.183   7.2838  -0.3609   12.143   17.670   9.1032   54.065   24.016   79.973   23.077 -25.90807 33.30616 
1 1 1   16   15   32 o   61.267   16.621   8.5669   5.9987   5.8759   13.223   9.2642   6.7312   62.398   26.368   60.136   20.242 2.262463 33.24174 
1 1 1   16   15   33 o   86.082   17.996   18.324   6.7498   30.122   14.359   14.977   7.6474   98.524   29.143   73.639   21.123 24.88529 35.99274 
1 1 1   16   15   34 o   94.860   14.411   24.808   6.1604   22.361   9.9029   26.352   7.8681   88.167   23.576  101.553   16.578 -13.38574 28.82155 
1 1 1   16   15   35 f   70.662   14.720   12.863   5.6426   21.320   8.3616   5.7925   7.6460   88.021   20.678   53.303   20.956 34.71783 29.44037 
1 1 1   16   15   36 f   59.290   14.907   8.7635   5.4620   4.2235   8.1313   12.496   7.3731   51.234   21.085   67.347   21.080 -16.11250 29.81480 
1 1 1   16   15   37 o   78.381   15.415   17.420   5.9994   22.857   8.7610   12.619   8.2326   89.891   21.199   66.871   22.386 23.01926 30.83066 
1 1 1   16   15   38 o   99.831   14.805   29.679   6.7487   20.809   10.274   36.410   8.9503   81.715   24.762  117.947   16.237 -36.23269 29.61075 
1 1 1   16   15   39 o   44.488   13.363   2.1186   4.9487  -1.6636   7.9572   4.5041   6.3194   41.632   18.886   47.343   18.912 -5.710747 26.72664 
1 1 1   16   15   40 o   53.891   15.577   6.0325   6.2323  -0.8524   12.038   8.5537   7.2845   50.764   23.105   57.019   20.899 -6.254570 31.15445 
1 1 1   16   15   41 f   48.370   14.167   4.3158   5.1598   5.1550   8.0906   3.7404   6.6988   50.654   20.957   46.085   19.068 4.568382 28.33369 
1 1 1   16   15   42 o   65.685   14.024   13.177   5.6497   2.1003   8.7670   21.044   7.3884   46.517   20.547   84.853   19.093 -38.33602 28.04837 
1 1 1   16   15   43 o   64.114   16.015   10.748   5.8536   22.034   10.472   5.6188   7.0595   79.370   25.159   48.858   19.821 30.51161 32.02911 
1 1 1   16   15   44 o   40.995   11.529   3.5956   3.3930   5.2568   3.9945  -0.7078   6.4292   44.459   15.572   37.531   17.005 6.927853 23.05780 
1 1 1   16   15   45 o   57.019   17.601   9.2482   8.8532   9.3299   12.183   9.1567   12.888   56.961   24.710   57.077   25.073 -0.1158295 35.20247 
1 1 1   16   15   46 o   43.436   14.100  -2.0891   3.4298  -3.5565   3.5768   14.672   12.089   24.288   11.549   62.584   25.726 -38.29615 28.19982 
1 1 1   16   15   47 o   62.004   17.605   11.711   9.0219   29.467   13.203  -3.8411   12.357   80.349   28.299   43.659   20.951 36.68991 35.21009 
1 1 1   16   16    0 o  184.575   12.459   83.523   14.881   83.523   14.881   83.523   14.881  184.575   17.619  184.575   17.619 -0.000000 0.000000 
1 1 1   16   16    1 o  248.421   15.428  154.811   17.824  171.104   25.181  138.451   25.233  262.502   20.525  234.341   23.039 28.16113 30.85629 
1 1 1   16   16    2 o  164.393   11.568   65.613   8.8734   60.756   12.364   70.771   12.742  157.974   16.747  170.813   15.961 -12.83861 23.13523 
1 1 1   16   16    3 o  103.059   8.3505   25.355   4.0131   23.291   5.6411   27.470   5.7104   98.735   12.225  107.384   11.378 -8.649696 16.70093 
1 1 1   16   16    4 o  108.231   8.5554   28.051   4.3043   24.647   6.0595   31.518   6.1153  101.450   12.780  115.012   11.377 -13.56232 17.11077 
1 1 1   16   16    5 o  174.243   9.1119   72.787   7.4150   69.546   10.457   76.064   10.516  170.253   13.142  178.233   12.625 -7.979843 18.22380 
1 1 1   16   16    6 o  150.543   8.7578   54.249   6.1613   53.648   8.7199   54.848   8.7069  149.687   12.465  151.398   12.306 -1.711594 17.51563 
1 1 1   16   16    7 o   99.788   6.8555   22.207   3.0974   31.560   5.1291   16.838   3.8860  115.361   9.5136   84.216   9.8735 31.14552 13.71106 
1 1 1   16   16    8 o  220.385   13.012  121.778   12.970  128.180   16.699  112.045   20.590  229.506   15.569  211.265   20.853 18.24037 26.02402 
1 1 1   16   16    9 f  109.327   10.076   29.829   4.9113   32.678   6.2866   25.366   7.8675  116.895   11.507  101.758   16.543 15.13753 20.15199 
1 1 1   16   16   10 o   91.272   11.718   20.866   4.8575   23.703   6.8283   17.959   6.9117   98.781   14.791   83.763   18.178 15.01816 23.43523 
1 1 1   16   16   11 o  161.634   11.604   64.181   8.7429   60.288   12.520   67.886   12.214  156.507   17.117  166.761   15.672 -10.25429 23.20812 
1 1 1   16   16   12 o  105.282   12.042   28.012   5.6792   23.286   8.2642   32.240   7.8174   95.262   19.225  115.302   14.507 -20.04044 24.08479 
1 1 1   16   16   13 o  114.234   14.313   34.593   6.8234   29.133   11.898   37.269   8.3291  104.389   24.763  124.080   14.363 -19.69068 28.62668 
1 1 1   16   16   14 o   91.874   12.921   18.609   5.1781   30.206   9.5088   13.720   6.1738  110.537   18.407   73.210   18.138 37.32691 25.84135 
1 1 1   16   16   15 o  154.328   14.167   59.545   9.7854   59.735   12.248   59.209   16.271  156.154   16.783  152.502   22.830 3.651779 28.33478 
1 1 1   16   16   16 f   51.571   13.018   5.8783   3.9036   5.1673   6.3938   6.3007   4.9288   51.443   19.438   51.699   17.321 -0.2567406 26.03581 
1 1 1   16   16   17 o  137.841   15.357   50.388   8.7832   44.299   15.316   53.372   10.721  127.838   26.506  147.844   15.516 -20.00675 30.71385 
1 1 1   16   16   18 o  128.992   13.115   43.320   7.3330   30.236   10.623   55.230   10.135  107.265   21.931  150.718   14.388 -43.45270 26.22973 
1 1 1   16   16   19 f  178.748   12.782   79.537   10.667   84.545   15.322   74.826   14.859  184.384   17.781  173.112   18.366 11.27151 25.56335 
1 1 1   16   16   20 o  132.281   12.094   43.533   7.3497   53.500   10.578   34.231   10.219  147.731   15.321  116.832   18.716 30.89886 24.18744 
1 1 1   16   16   21 o  150.682   12.517   56.920   8.7257   48.245   12.351   65.565   12.329  138.375   19.098  162.988   16.186 -24.61278 25.03434 
1 1 1   16   16   22 o  106.072   13.179   29.009   6.2991   24.166   9.0833   33.496   8.7429   95.671   20.900  116.472   16.062 -20.80109 26.35865 
1 1 1   16   16   23 o  162.985   12.905   66.727   9.8297   67.284   13.947   66.178   13.856  163.671   18.234  162.299   18.267 1.372391 25.81012 
1 1 1   16   16   24 o   99.281   19.129   28.686   9.3507   21.245   14.410   34.099   12.290   86.761   29.614  111.801   24.221 -25.04053 38.25768 
1 1 1   16   16   25 o   98.667   19.858   28.418   9.6928   24.108   14.745   31.698   12.863   91.102   29.938  106.231   26.097 -15.12921 39.71579 
1 1 1   16   16   26 o  223.821   24.066  150.823   25.149  159.132   36.044  142.941   35.107  230.707   33.430  216.934   34.628 13.77272 48.13139 
1 1 1   16   16   27 o  136.113   20.575   55.516   12.996   38.162   19.165   70.290   17.683  109.786   33.924  162.440   23.293 -52.65425 41.15078 
1 1 1   16   16   28 o   84.175   24.664   19.853   10.328   0.0000   0.0000   19.853   10.328  ?   ?    84.175   24.664      ?      ? 
1 1 1   16   16   29 o  141.587   26.460   56.675   16.865   0.0000   0.0000   56.675   16.865  ?   ?   141.587   26.460      ?      ? 
1 1 1   16   16   30 o   50.072   15.884  -3.8251   7.7023   4.6680   12.158  -9.5189   9.9547   59.440   25.210   40.704   19.330 18.73587 31.76763 
1 1 1   16   16   31 o   58.401   16.474   7.1808   6.2626   4.2407   12.856   8.0956   7.1710   59.352   25.565   57.449   20.784 1.903225 32.94722 
1 1 1   16   16   32 o  175.320   13.445   80.503   11.003   83.658   16.044   77.701   15.119  178.316   19.252  172.324   18.773 5.992706 26.89009 
1 1 1   16   16   33 o  163.255   13.215   69.351   9.7787   91.211   14.316   50.232   13.389  189.511   16.164  136.999   20.911 52.51129 26.43006 
1 1 1   16   16   34 o  150.560   12.819   58.201   8.9055   71.985   13.288   46.964   11.999  167.496   16.976  133.623   19.214 33.87259 25.63857 
1 1 1   16   16   35 o   68.224   15.077   13.064   5.3173   12.568   8.1677   13.428   7.0052   67.010   22.295   69.438   20.303 -2.428024 30.15446 
1 1 1   16   16   36 o   72.418   13.087   13.048   5.2816   26.864   7.9924   2.3370   7.0372   99.644   17.817   45.192   19.174 54.45181 26.17404 
1 1 1   16   16   37 o   79.637   14.895   19.607   6.1132   10.506   9.3973   26.284   8.0492   61.629   23.498   97.645   18.311 -36.01617 29.79017 
1 1 1   16   16   38 o   67.400   15.546   13.020   5.6076   15.169   8.4524   11.331   7.4945   71.567   22.595   63.233   21.358 8.333755 31.09206 
1 1 1   16   16   39 o   62.254   14.874   10.715   5.3109   14.926   7.7031   6.8996   7.3322   71.152   21.414   53.356   20.650 17.79560 29.74863 
1 1 1   16   16   40 o   56.999   15.229   9.1845   5.5578   8.5801   8.0389   9.7379   7.6923   55.940   21.630   58.059   21.444 -2.119259 30.45828 
1 1 1   16   16   41 o  119.739   13.988   41.597   7.5453   50.308   11.027   33.927   10.347  134.370   17.559  105.109   21.780 29.26088 27.97627 
1 1 1   16   16   42 o   43.094   13.374   1.8225   5.0465   2.7992   8.1446   1.2138   6.4294   45.802   20.030   40.386   17.726 5.416042 26.74737 
1 1 1   16   16   43 o   62.121   16.147   8.8909   6.1398   24.414   11.246   2.3001   7.3282   80.848   26.121   43.395   18.988 37.45283 32.29344 
1 1 1   16   16   44 o   49.628   15.887   2.4814   8.2113   7.5296   10.654  -4.9047   12.887   53.931   23.251   45.325   21.655 8.606041 31.77323 
1 1 1   16   16   45 o   78.295   20.522   27.793   10.428   18.734   14.364   37.891   15.165   65.625   27.593   90.965   30.384 -25.33979 41.04315 
1 1 1   16   16   46 o   44.976   13.954   4.0956   4.1654   4.2117   4.3960   3.0749   13.032   40.991   15.955   48.962   22.897 -7.970943 27.90704 
1 1 1   16   17    0 f   81.765   9.5600   17.067   4.7416   17.067   4.7416   17.067   4.7416   81.765   13.520   81.765   13.520 -0.000000 0.000000 
1 1 1   16   17    1 o  178.731   9.6610   77.238   8.0549   82.800   11.423   71.737   11.360  185.337   13.188  172.126   14.122 13.21106 19.32205 
1 1 1   16   17    2 o   88.150   11.715   19.516   4.6197   18.955   6.1541   20.241   6.9925   86.965   15.720   89.335   17.374 -2.370316 23.43029 
1 1 1   16   17    3 o  125.009   11.111   38.532   6.4162   43.048   8.8382   33.500   9.3296  133.328   14.184  116.689   17.108 16.63892 22.22278 
1 1 1   16   17    4 o   99.737   11.377   24.752   5.1361   25.831   6.9398   23.444   7.6372  103.241   14.383   96.234   17.631 7.007912 22.75339 
1 1 1   16   17    5 o  121.571   8.9792   34.782   5.0436   40.787   7.8884   30.629   6.5596  130.190   12.965  112.952   12.426 17.23802 17.95832 
1 1 1   16   17    6 o  166.371   9.2188   66.602   7.1678   66.618   10.112   66.587   10.162  166.403   13.003  166.338   13.072 0.6459045E-01 18.43760 
1 1 1   16   17    7 o  177.283   8.9878   76.398   7.2972   70.210   11.225   80.928   9.6033  170.439   14.092  184.128   11.160 -13.68877 17.97568 
1 1 1   16   17    8 o   67.070   11.504   11.008   3.4789   9.7287   4.3723   13.215   5.7433   62.118   15.188   72.022   17.283 -9.903957 23.00816 
1 1 1   16   17    9 o   84.276   11.676   17.731   4.5021   15.588   6.3938   19.839   6.3404   78.135   17.894   90.418   15.004 -12.28323 23.35254 
1 1 1   16   17   10 o  104.463   11.953   27.797   5.5182   20.715   7.9799   34.287   7.6391   89.707   19.583  119.218   13.711 -29.51105 23.90569 
1 1 1   16   17   11 o  173.438   12.573   74.761   10.081   63.746   14.414   85.309   14.105  160.034   19.272  186.842   16.153 -26.80757 25.14635 
1 1 1   16   17   12 o   48.589   12.794   4.7866   3.7149   3.7728   6.7539   5.2263   4.4482   49.333   19.600   47.846   16.451 1.486786 25.58870 
1 1 1   16   17   13 o   56.056   13.327   7.5780   4.0252   6.3211   7.0405   8.1883   4.9061   54.982   20.474   57.130   17.066 -2.148048 26.65400 
1 1 1   16   17   14 o   63.369   12.321   9.1981   4.0379   16.521   6.2816   4.0412   5.2713   80.418   17.232   46.320   17.614 34.09795 24.64127 
1 1 1   16   17   15 o   84.386   13.086   18.303   4.9697   18.874   7.6673   17.890   6.5262   85.094   19.673   83.679   17.261 1.415085 26.17187 
1 1 1   16   17   16 o   79.769   13.273   16.468   4.8505   17.148   7.1978   15.902   6.5651   81.126   19.270   78.412   18.256 2.713661 26.54502 
1 1 1   16   17   17 o   95.774   15.079   23.425   6.4996   19.349   8.3603   29.652   10.334   85.508   21.059  106.039   21.586 -20.53124 30.15721 
1 1 1   16   17   18 f   64.516   13.962   10.442   4.5865   12.835   7.0363   8.6745   6.0478   70.055   20.310   58.976   19.164 11.07970 27.92381 
1 1 1   16   17   19 o   62.812   14.159   9.9644   4.6781   11.124   6.9172   8.9865   6.3506   65.659   20.396   59.966   19.645 5.693043 28.31843 
1 1 1   16   17   20 o  128.697   11.747   40.875   7.0319   46.770   10.335   35.793   9.5955  137.526   16.080  119.868   17.129 17.65865 23.49357 
1 1 1   16   17   21 o  128.976   12.304   41.850   7.3366   35.436   10.419   48.158   10.333  118.386   18.832  139.566   15.841 -21.17952 24.60833 
1 1 1   16   17   22 o  115.324   18.601   36.781   9.6824   40.199   15.154   34.424   12.587  118.827   27.784  111.822   24.740 7.005600 37.20252 
1 1 1   16   17   23 o   68.430   17.253   7.4482   6.9926   22.661   12.733   0.8798   8.3672   89.040   27.675   47.821   20.611 41.21880 34.50682 
1 1 1   16   17   24 o   73.368   27.598   13.613   12.856   13.613   12.856   0.0000   0.0000   73.368   27.598  ?   ?       ?      ? 
1 1 1   16   17   25 o  100.874   19.147   28.572   9.1820   35.742   14.225   23.451   12.022  111.273   27.510   90.476   26.639 20.79705 38.29360 
1 1 1   16   17   26 o   88.024   19.405   21.677   8.8231   28.024   13.699   17.178   11.534   97.532   28.357   78.516   26.496 19.01633 38.80925 
1 1 1   16   17   27 o   79.211   24.497   17.533   9.9911   0.0000   0.0000   17.533   9.9911  ?   ?    79.211   24.497      ?      ? 
1 1 1   16   17   28 o   69.264   20.511   12.946   7.1099   0.0000   0.0000   12.946   7.1099  ?   ?    69.264   20.511      ?      ? 
1 1 1   16   17   29 o   54.000   15.258   3.3741   5.4551   11.810   10.234   0.0260   6.4473   67.062   24.741   40.938   17.865 26.12344 30.51699 
1 1 1   16   17   30 o   93.433   14.487   24.833   6.2311   17.925   9.6886   29.706   8.1373   78.785   24.083  108.081   16.110 -29.29631 28.97463 
1 1 1   16   17   31 o   74.735   14.092   13.954   5.5590   25.629   8.5180   5.2929   7.3369   97.605   19.357   51.865   20.484 45.73956 28.18345 
1 1 1   16   17   32 o  132.031   12.911   45.166   7.9479   47.950   11.743   42.812   10.797  135.567   18.535  128.495   17.979 7.071991 25.82193 
1 1 1   16   17   33 o   59.781   14.556   9.3279   4.9084   10.919   7.3913   8.0725   6.5650   63.292   21.211   56.270   19.940 7.021954 29.11236 
1 1 1   16   17   34 o   45.118   13.213   1.8535   4.7178   6.5899   7.0645  -1.9593   6.3385   53.003   20.334   37.233   16.876 15.76982 26.42537 
1 1 1   16   17   35 f   97.305   14.122   28.860   6.4181   14.355   9.5688   40.722   8.6533   68.853   24.102  125.757   14.723 -56.90363 28.24305 
1 1 1   16   17   36 o   45.510   13.433   3.0155   4.7627   0.8506   7.6872   4.3643   6.0675   44.279   19.410   46.742   18.575 -2.463242 26.86577 
1 1 1   16   17   37 o   76.920   13.868   14.806   5.5258   29.544   8.9003   5.5618   7.0489  103.198   19.159   50.641   20.054 52.55630 27.73521 
1 1 1   16   17   38 o   42.385   12.934   1.3091   4.8290  -2.7581   7.5153   4.1691   6.3021   38.756   17.868   46.013   18.705 -7.257126 25.86828 
1 1 1   16   17   39 o   48.680   12.562   4.3694   4.8694 -10.0979   8.3751   11.757   5.9850   34.202   16.614   63.159   18.845 -28.95725 25.12347 
1 1 1   16   17   40 o   62.459   15.149   11.806   5.3053   15.333   8.2542   9.3236   6.9252   68.726   22.391   56.192   20.410 12.53394 30.29729 
1 1 1   16   17   41 o   48.682   15.296   3.6323   6.7074   4.5112   8.0513   1.6388   12.126   47.776   20.396   49.588   22.801 -1.812191 30.59270 
1 1 1   16   17   42 o   64.815   27.019   15.972   13.595   0.0000   0.0000   15.972   13.595  ?   ?    64.815   27.019      ?      ? 
1 1 1   16   17   43 f   69.500   28.006   20.538   13.992   0.0000   0.0000   20.538   13.992  ?   ?    69.500   28.006      ?      ? 
1 1 1   16   17   44 o   64.831   19.347   18.980   10.029   21.418   14.669   16.840   13.743   67.101   28.027   62.561   26.676 4.539646 38.69318 
1 1 1   16   18    0 o   60.274   14.548   11.264   5.2014   11.264   5.2014   11.264   5.2014   60.274   20.575   60.274   20.575 -0.000000 0.000000 
1 1 1   16   18    1 o  160.405   10.430   62.932   7.6165   60.215   12.061   64.735   9.8230  156.764   16.462  164.046   12.812 -7.282074 20.86059 
1 1 1   16   18    2 o  190.024   15.415   89.265   13.025   99.444   22.550   84.169   15.955  195.870   24.634  184.178   18.537 11.69278 30.82902 
1 1 1   16   18    3 o  258.486   14.641  168.902   17.244  171.499   22.230  164.977   27.326  263.217   18.071  253.755   23.042 9.461197 29.28257 
1 1 1   16   18    4 o  206.681   10.341  103.788   9.9780   97.960   14.059  109.704   14.164  200.633   14.993  212.730   14.247 -12.09712 20.68260 
1 1 1   16   18    5 o  180.699   11.059   81.095   9.0654   73.380   14.220   86.378   11.766  172.247   17.665  189.151   13.311 -16.90344 22.11814 
1 1 1   16   18    6 o  283.125   17.650  214.084   22.371  187.180   35.454  231.881   28.836  262.959   28.849  303.291   20.344 -40.33221 35.30085 
1 1 1   16   18    7 o   62.872   10.733   9.6921   3.0564   11.676   4.9597   8.4775   3.8808   67.769   15.929   57.975   14.391 9.794239 21.46641 
1 1 1   16   18    8 o   50.700   11.229   6.2696   2.9226   6.4042   4.5965   6.1782   3.7865   51.442   16.707   49.959   15.009 1.483250 22.45815 
1 1 1   16   18    9 o   66.466   13.576   10.307   4.5759   17.015   7.3187   6.0015   5.8632   80.785   19.588   52.148   18.804 28.63683 27.15289 
1 1 1   16   18   10 o  109.451   11.273   29.814   5.5370   36.560   8.0010   23.613   7.6705  122.670   13.956   96.232   17.708 26.43734 22.54644 
1 1 1   16   18   11 o  130.453   14.130   44.262   7.7414   41.172   13.450   45.793   9.4667  123.989   24.079  136.918   14.794 -12.92914 28.26100 
1 1 1   16   18   12 o  207.551   15.864  105.039   14.756  134.813   25.674   90.351   18.032  226.596   24.243  188.505   20.469 38.09021 31.72856 
1 1 1   16   18   13 o  149.024   15.070   58.372   9.4066   54.312   16.376   60.371   11.492  141.388   25.731  156.661   15.696 -15.27361 30.14007 
1 1 1   16   18   14 o   63.625   12.829   10.014   4.0126   13.439   6.2265   7.5816   5.2475   71.894   18.442   55.357   17.838 16.53650 25.65737 
1 1 1   16   18   15 o   41.164   11.573   1.8698   3.5946  -2.5654   5.6122   4.9549   4.6807   35.086   15.894   47.242   16.827 -12.15604 23.14602 
1 1 1   16   18   16 o  172.389   13.839   77.448   10.646   54.020   15.282   99.539   14.840  143.941   22.717  200.836   15.810 -56.89516 27.67757 
1 1 1   16   18   17 o  105.710   13.412   30.437   6.1961   17.462   9.0498   41.886   8.5012   80.395   22.951  131.024   13.883 -50.62855 26.82360 
1 1 1   16   18   18 o  214.363   14.540  118.411   14.394  139.196   20.527   98.308   20.188  234.596   18.723  194.130   22.251 40.46609 29.08023 
1 1 1   16   18   19 o  153.696   19.703   66.273   13.789   62.381   19.968   69.822   19.066  146.588   30.153  160.803   25.369 -14.21533 39.40578 
1 1 1   16   18   20 o  151.632   18.436   62.200   12.583   79.883   19.017   48.427   16.783  173.421   23.463  129.843   28.444 43.57787 36.87280 
1 1 1   16   18   21 o   57.610   16.011   6.3615   6.5518  -2.7378   12.166   10.079   7.7757   52.039   23.502   63.181   21.748 -11.14248 32.02108 
1 1 1   16   18   22 f  111.468   18.947   35.393   9.6467   36.174   15.004   34.842   12.595  111.037   28.703  111.899   24.741 -0.8619232 37.89471 
1 1 1   16   18   23 o  134.108   19.190   50.821   11.571   56.558   17.355   46.229   15.527  140.857   27.349  127.358   26.928 13.49982 38.38071 
1 1 1   16   18   24 o   84.382   18.303   17.193   8.2384   33.162   13.704   8.1565   10.309  106.806   27.339   61.958   24.342 44.84821 36.60520 
1 1 1   16   18   25 o   72.484   18.958   13.865   8.4904   13.991   12.570   13.758   11.514   72.953   27.319   72.015   26.293 0.9380112 37.91611 
1 1 1   16   18   26 o  111.626   16.018   29.705   7.4048   48.383   14.518   23.137   8.6088  130.979   24.620   92.273   20.496 38.70624 32.03511 
1 1 1   16   18   27 f   98.800   16.871   28.233   7.4057   25.790   13.656   29.251   8.8143   91.162   28.714  106.438   17.719 -15.27610 33.74105 
1 1 1   16   18   28 o  151.083   17.318   64.226   10.851   64.477   19.436   64.112   13.079  144.749   29.726  157.418   17.777 -12.66811 34.63597 
1 1 1   16   18   29 o  138.776   12.797   50.021   8.2676   47.633   12.002   52.178   11.405  134.889   19.039  142.663   17.106 -7.773926 25.59462 
1 1 1   16   18   30 f  133.760   16.917   51.696   9.8219   56.114   12.535   44.670   15.808  146.752   18.277  120.768   28.473 25.98384 33.83387 
1 1 1   16   18   31 o   90.209   14.458   22.095   6.0135   30.440   9.1497   15.750   7.9787  105.990   19.177   74.428   21.641 31.56204 28.91563 
1 1 1   16   18   32 o   58.573   14.619   7.8363   5.0979   14.682   8.2399   3.5910   6.4888   70.904   22.299   46.243   18.910 24.66048 29.23784 
1 1 1   16   18   33 o   73.718   15.004   15.360   5.4497   20.461   8.5253   11.835   7.0867   83.270   21.691   64.166   20.735 19.10384 30.00728 
1 1 1   16   18   34 o  130.710   18.830   54.734   10.068   48.966   19.042   56.971   11.861  114.906   33.440  146.515   17.322 -31.60839 37.65974 
1 1 1   16   18   35 o   46.539   13.390   3.8885   4.5116   3.8534   7.1118   3.9122   5.8363   47.690   19.683   45.388   18.159 2.302048 26.77970 
1 1 1   16   18   36 o   69.874   14.896   15.098   5.5278   10.114   8.7125   18.455   7.1515   59.738   22.662   80.010   19.340 -20.27170 29.79227 
1 1 1   16   18   37 o   66.205   16.135   13.735   6.0997   10.929   8.2982   17.034   8.9966   60.119   22.259   72.292   23.363 -12.17372 32.26928 
1 1 1   16   18   38 o   45.625   13.664   2.3162   5.4318  -4.0113   7.9944   7.7422   7.4031   38.037   17.834   53.213   20.706 -15.17597 27.32761 
1 1 1   16   18   39 o   35.954   11.870  -4.1900   5.0416  -8.5463   7.2009  -0.0014   7.0609   31.920   15.483   39.988   17.997 -8.068441 23.74029 
1 1 1   16   18   40 o   76.589   14.103   14.810   6.1854   1.7916   7.7944   36.953   10.165   43.486   19.282  109.692   20.586 -66.20562 28.20601 
1 1 1   16   18   41 o   49.522   13.900   6.4101   5.2033  -3.1439   10.428   9.5774   6.0041   42.873   20.185   56.171   19.116 -13.29871 27.80062 
1 1 1   16   18   42 o   43.459   17.829   4.2777   5.7914   0.0000   0.0000   4.2777   5.7914  ?   ?    43.459   17.829      ?      ? 
1 1 1   16   18   43 o   73.489   17.461   18.941   6.3309   28.228   13.040   16.077   7.2417   78.286   28.064   68.692   20.783 9.594070 34.92125 
1 1 1   16   19    0 f   70.187   11.050   13.309   4.4790   13.309   4.4790   13.309   4.4790   70.187   15.627   70.187   15.627 -0.000000 0.000000 
1 1 1   16   19    1 o  161.515   9.3183   63.223   7.0281   60.500   9.9543   65.930   9.9243  157.909   13.488  165.121   12.860 -7.211975 18.63668 
1 1 1   16   19    2 o  105.456   8.3558   26.736   4.1129   28.624   5.8930   24.942   5.7431  109.152   11.552  101.760   12.076 7.392174 16.71166 
1 1 1   16   19    3 o  184.746   9.7754   82.986   8.4395   84.058   11.928   81.911   11.943  185.994   13.722  183.497   13.926 2.496429 19.55088 
1 1 1   16   19    4 o  122.091   9.5525   35.445   5.3335   32.805   6.7747   39.749   8.6498  116.583   12.434  127.600   14.505 -11.01675 19.10490 
1 1 1   16   19    5 o   86.999   10.150   17.983   3.9637   15.479   5.0039   22.200   6.4940   78.671   14.129   95.327   14.577 -16.65660 20.30049 
1 1 1   16   19    6 o  125.871   9.6499   37.212   5.5049   33.545   6.8602   43.843   9.2248  117.863   12.454  133.879   14.743 -16.01625 19.29976 
1 1 1   16   19    7 f  201.007   10.773   99.578   10.048  112.293   14.185   86.772   14.236  214.609   14.143  187.406   16.254 27.20335 21.54521 
1 1 1   16   19    8 o   72.952   10.210   13.336   3.3156   13.780   5.1675   13.026   4.3227   73.646   15.504   72.258   13.290 1.388428 20.42077 
1 1 1   16   19    9 o   69.249   10.883   8.1789   2.7313   20.551   7.1039   6.0329   2.9587   89.464   17.618   49.035   12.781 40.42858 21.76513 
1 1 1   16   19   10 o  130.116   13.281   44.424   6.5204   40.341   13.161   45.751   7.5063  122.377   23.870  137.855   11.651 -15.47758 26.56128 
1 1 1   16   19   11 o   70.055   13.470   11.335   4.4712   18.964   7.7118   7.4716   5.4878   84.910   19.798   55.201   18.271 29.70878 26.94042 
1 1 1   16   19   12 o  133.827   14.832   47.510   8.3200   43.392   14.400   49.573   10.194  125.791   25.370  141.864   15.375 -16.07330 29.66496 
1 1 1   16   19   13 o  130.441   15.438   46.744   8.4412   51.563   10.498   37.930   14.197  144.535   15.542  116.346   26.679 28.18934 30.87621 
1 1 1   16   19   14 o   80.351   12.704   16.801   4.6295   16.599   6.9459   16.962   6.2100   79.515   18.958   81.187   16.916 -1.671562 25.40779 
1 1 1   16   19   15 o  115.049   16.660   40.225   7.8607   25.497   14.851   45.958   9.2651   93.310   30.003  136.788   14.493 -43.47840 33.31987 
1 1 1   16   19   16 o  129.981   13.899   40.897   7.7531   49.618   14.596   37.470   9.1507  137.152   22.772  122.811   15.943 14.34055 27.79819 
1 1 1   16   19   17 o   88.943   15.517   23.984   6.5958   11.606   12.403   28.865   7.7883   69.962   26.919  107.925   15.441 -37.96304 31.03323 
1 1 1   16   19   18 o  131.260   17.784   47.223   10.627   58.350   15.506   37.365   14.594  148.736   22.306  113.784   27.704 34.95203 35.56766 
1 1 1   16   19   19 o  108.608   18.976   34.273   9.6118   29.885   14.424   37.777   12.891  100.398   29.070  116.819   24.399 -16.42043 37.95272 
1 1 1   16   19   20 o  104.733   15.300   30.545   7.0874   34.058   8.9470   24.625   11.613  116.574   16.422   92.892   25.819 23.68228 30.59919 
1 1 1   16   19   21 o  128.962   19.072   48.308   11.268   38.245   16.666   56.784   15.295  111.788   30.878  146.137   22.394 -34.34950 38.14386 
1 1 1   16   19   22 o  149.024   21.150   68.565   14.392   43.445   20.883   91.287   19.861  113.946   35.445  184.102   23.084 -70.15591 42.29923 
1 1 1   16   19   23 o   87.720   16.632   21.175   6.4357   22.895   12.445   20.547   7.5191   87.706   27.377   87.734   18.896 -0.2785492E-01 33.26489 
1 1 1   16   19   24 o   66.879   15.704   12.743   6.3276   1.6243   11.907   17.119   7.4697   54.770   24.079   78.988   20.166 -24.21754 31.40754 
1 1 1   16   19   25 o  138.387   12.864   49.987   8.2701   45.288   11.863   54.429   11.535  131.104   19.362  145.671   16.943 -14.56696 25.72865 
1 1 1   16   19   26 o  155.717   15.697   62.805   10.870   76.915   19.096   56.041   13.221  165.417   24.701  146.017   19.374 19.40016 31.39317 
1 1 1   16   19   27 f   80.405   15.980   20.303   6.8184   7.8118   12.624   25.447   8.1018   63.005   26.132   97.805   18.400 -34.79977 31.95975 
1 1 1   16   19   28 o  141.315   13.981   54.437   8.7402   43.940   12.811   63.578   11.955  124.964   22.775  157.666   16.224 -32.70242 27.96243 
1 1 1   16   19   29 o   69.532   15.334   13.878   5.5741   11.822   8.4873   15.437   7.3916   65.132   22.705   73.931   20.616 -8.798874 30.66809 
1 1 1   16   19   30 o   43.439   13.072   0.9762   4.7532   5.2416   7.1477  -2.4055   6.3643   50.265   20.101   36.614   16.717 13.65136 26.14367 
1 1 1   16   19   31 o   86.061   16.484   21.257   6.6972   16.338   8.4369   29.636   11.012   73.766   22.458   98.355   24.137 -24.58891 32.96886 
1 1 1   16   19   32 o   58.050   14.739   8.0229   5.1899   13.812   8.1735   4.1116   6.7181   68.638   22.277   47.461   19.305 21.17701 29.47856 
1 1 1   16   19   33 o   88.933   17.602   24.828   7.5048   25.472   9.3718   23.677   12.530   93.347   21.866   84.519   27.590 8.828148 35.20403 
1 1 1   16   19   34 o   83.395   16.688   23.368   7.3204   29.043   9.3563   14.411   11.755   99.533   20.785   67.257   26.114 32.27568 33.37570 
1 1 1   16   19   35 o  115.146   18.054   43.627   9.2315   43.032   11.668   44.623   15.094  119.196   21.747  111.096   28.824 8.099930 36.10758 
1 1 1   16   19   36 o   47.941   14.156   4.5742   5.3315   6.3342   7.5342   2.8090   7.5456   50.751   20.516   45.131   19.512 5.620045 28.31280 
1 1 1   16   19   37 o   82.782   17.269   22.868   7.0059   19.486   8.9301   28.282   11.298   76.335   23.075   89.229   25.697 -12.89340 34.53720 
1 1 1   16   19   38 o   50.298   12.629   5.5516   4.8765  -7.4396   7.9855   13.277   6.1580   34.645   16.681   65.951   18.965 -31.30625 25.25732 
1 1 1   16   19   39 f   62.157   13.728   12.568   5.1095   4.1623   8.3461   17.607   6.4620   47.411   20.509   76.902   18.253 -29.49138 27.45570 
1 1 1   16   19   40 o   39.562   12.720  -0.3210   5.2126 -14.0170   11.407   3.2941   5.8603   37.224   18.350   41.901   17.622 -4.676785 25.44100 
1 1 1   16   19   41 o   29.645   14.124  -4.4104   5.4032   0.0000   0.0000  -4.4104   5.4032  ?   ?    29.645   14.124      ?      ? 
1 1 1   16   20    0 o   76.750   9.8694   15.307   4.5159   15.307   4.5159   15.307   4.5159   76.750   13.957   76.750   13.957 -0.000000 0.000000 
1 1 1   16   20    1 o   71.210   10.692   14.043   3.5205   6.8752   5.5227   18.949   4.5692   53.602   18.333   88.819   11.007 -35.21783 21.38408 
1 1 1   16   20    2 o   52.164   10.539   6.8446   2.7224   8.0420   3.8589   5.6582   3.8412   56.262   14.563   48.066   15.238 8.195583 21.07788 
1 1 1   16   20    3 o   71.219   9.6485   12.719   3.0934   13.690   4.4317   11.796   4.3198   74.042   13.296   68.397   13.986 5.645210 19.29709 
1 1 1   16   20    4 o   68.994   9.5839   13.111   2.9108   7.0833   4.6036   17.125   3.7571   53.264   16.654   84.723   9.4886 -31.45917 19.16776 
1 1 1   16   20    5 o  124.192   8.5001   37.288   4.9279   35.310   6.9698   39.266   6.9686  120.784   12.347  127.600   11.686 -6.816086 17.00017 
1 1 1   16   20    6 f  148.854   12.942   54.410   7.7966   52.941   8.9836   58.896   15.694  147.586   13.025  150.122   22.368 -2.536499 25.88413 
1 1 1   16   20    7 o   87.300   10.826   21.228   4.0210   29.359   5.3424   10.602   6.1073  110.689   10.327   63.912   19.030 46.77640 21.65123 
1 1 1   16   20    8 o   64.213   12.002   10.666   3.5691   10.419   5.9416   10.806   4.4643   63.364   18.748   65.061   14.990 -1.696865 24.00389 
1 1 1   16   20    9 o   46.253   10.413   5.7795   2.7804  -4.9478   6.9920   7.7944   3.0303   36.719   17.036   55.788   11.980 -19.06849 20.82690 
1 1 1   16   20   10 o   71.612   13.555   12.888   4.3704   0.0000   0.0000   12.888   4.3704  ?   ?    71.612   13.555      ?      ? 
1 1 1   16   20   11 o  112.146   9.0654   29.996   4.7513   0.0000   0.0000   29.996   4.7513  ?   ?   112.146   9.0654      ?      ? 
1 1 1   16   20   12 o   43.302   15.992   3.8939   4.2776   0.0000   0.0000   3.8939   4.2776  ?   ?    43.302   15.992      ?      ? 
1 1 1   16   20   13 o   54.143   17.589   7.3170   5.0950   0.0000   0.0000   7.3170   5.0950  ?   ?    54.143   17.589      ?      ? 
1 1 1   16   20   14 o   97.399   22.773   25.971   10.181   0.0000   0.0000   25.971   10.181  ?   ?    97.399   22.773      ?      ? 
1 1 1   16   20   15 o   65.210   21.563   11.083   7.6448   0.0000   0.0000   11.083   7.6448  ?   ?    65.210   21.563      ?      ? 
1 1 1   16   20   16 o   52.854   13.249   6.2477   4.4434   9.8333   5.7575   0.9666   6.9874   61.441   18.518   44.267   18.952 17.17422 26.49725 
1 1 1   16   20   17 o  127.764   13.572   40.116   7.7568   35.786   9.4883   48.841   13.469  119.083   17.049  136.444   21.122 -17.36156 27.14403 
1 1 1   16   20   18 o   65.697   16.651   9.3221   6.5651   17.528   10.704   4.3734   8.3121   78.832   25.485   52.563   21.438 26.26954 33.30226 
1 1 1   16   20   19 o   88.797   16.010   22.292   6.3221   20.495   11.726   23.028   7.5066   83.845   26.629   93.748   17.784 -9.903229 32.02095 
1 1 1   16   20   20 o   84.606   16.544   17.475   6.2308   29.038   12.072   13.276   7.2748   99.551   25.752   69.660   20.775 29.89155 33.08728 
1 1 1   16   20   21 o   69.569   13.798   5.9242   5.4155   29.454   10.262  -3.1588   6.3757  102.829   22.017   36.310   16.636 66.51855 27.59563 
1 1 1   16   20   22 o   50.720   13.825   5.3193   4.6318   6.5687   6.8366   4.2593   6.2973   53.554   20.129   47.886   18.957 5.668114 27.65074 
1 1 1   16   20   23 o   76.468   14.873   16.431   5.5622   13.265   8.2875   19.026   7.5032   69.255   22.428   83.682   19.540 -14.42722 29.74608 
1 1 1   16   20   24 o   32.264   10.798  -6.3595   4.3807  -9.4948   6.5462  -3.8167   5.8953   30.587   14.819   33.942   15.711 -3.355476 21.59681 
1 1 1   16   20   25 o  116.391   16.672   38.318   8.3601   38.295   14.626   38.329   10.189  111.473   28.086  121.309   17.972 -9.835388 33.34389 
1 1 1   16   20   26 o  135.981   15.141   46.019   8.9465   71.386   15.923   34.317   10.815  161.512   21.096  110.450   21.725 51.06215 30.28216 
1 1 1   16   20   27 o  103.926   17.449   31.557   7.9951   28.995   9.7897   36.686   13.854  100.670   21.463  107.182   27.517 -6.511810 34.89780 
1 1 1   16   20   28 o   82.850   16.428   22.770   7.2627   28.622   8.9620   11.574   12.396  100.858   19.720   64.841   26.279 36.01659 32.85506 
1 1 1   16   20   29 o  139.396   16.409   52.318   10.049   39.807   12.308   77.331   17.403  115.471   23.604  163.320   22.800 -47.84901 32.81727 
1 1 1   16   20   30 o  133.490   16.095   48.922   9.5751   41.107   11.908   63.221   16.106  119.380   22.159  147.601   23.349 -28.22082 32.18995 
1 1 1   16   20   31 o   48.159   14.563   3.0071   5.8376   4.3973   7.6955   1.1228   8.9589   49.336   20.428   46.981   20.760 2.355083 29.12507 
1 1 1   16   20   32 f   55.119   14.823   7.4863   6.1431   13.359   7.4971  -4.5141   10.717   66.339   21.316   43.899   20.603 22.43924 29.64567 
1 1 1   16   20   33 o  123.957   13.501   43.758   7.8018   48.026   11.366   39.956   10.728  130.125   18.690  117.788   19.489 12.33629 27.00259 
1 1 1   16   20   34 o   63.728   15.114   12.882   5.5116   9.1616   8.3397   15.767   7.3442   56.245   21.952   71.211   20.779 -14.96590 30.22702 
1 1 1   16   20   35 o   41.540   12.866   0.7981   5.0091   4.8188   6.7478  -4.1369   7.4758   46.696   19.211   36.385   17.119 10.31133 25.73153 
1 1 1   16   20   36 o   41.874   12.472   0.0974   4.3645   8.5199   7.1063  -5.0038   5.5304   53.774   20.451   29.974   14.283 23.79997 24.94464 
1 1 1   16   20   37 o   55.311   13.838   9.3993   4.8892   3.4602   8.1688   12.715   6.1031   46.211   20.139   64.411   18.985 -18.20003 27.67654 
1 1 1   16   20   38 o   48.725   14.731   4.8306   4.9822   9.0375   11.093   3.7675   5.5763   55.103   23.741   42.346   17.448 12.75763 29.46259 
1 1 1   16   20   39 o   37.380   12.693  -3.4185   4.6690   1.3124   11.026  -4.4520   5.1538   45.919   21.335   28.840   13.755 17.07881 25.38506 
1 1 1   16   21    0 o   90.359   9.6342   20.733   5.3671   20.733   5.3671   20.733   5.3671   90.359   13.625   90.359   13.625 -0.000000 0.000000 
1 1 1   16   21    1 o  204.460   12.196  104.968   11.416  106.129   18.033  104.191   14.746  203.921   18.922  204.999   15.392 -1.078308 24.39184 
1 1 1   16   21    2 f  103.145   10.742   27.689   4.7512   22.540   7.6111   30.976   6.0817   93.068   18.151  113.222   11.494 -20.15450 21.48368 
1 1 1   16   21    3 o  198.060   12.532  101.428   11.138   88.272   17.615  110.192   14.377  184.672   20.410  211.447   14.549 -26.77516 25.06468 
1 1 1   16   21    4 o   82.016   10.329   18.003   3.4365   14.122   6.2164   19.712   4.1240   73.294   18.225   90.739   9.7248 -17.44533 20.65734 
1 1 1   16   21    5 o   82.595   9.6093   16.926   3.3194   16.988   5.9770   16.898   3.9915   81.278   16.302   83.913   10.178 -2.635010 19.21860 
1 1 1   16   21    6 o   48.979   11.278   6.0441   2.9965   3.4382   5.2943   7.2723   3.6346   44.527   17.460   53.432   14.281 -8.904842 22.55633 
1 1 1   16   21    7 o   94.907   15.066   28.529   6.7018   11.005   12.173   36.150   8.0278   68.605   26.592  121.210   14.172 -52.60423 30.13267 
1 1 1   16   21    8 o   67.950   22.052   12.228   8.0090   0.0000   0.0000   12.228   8.0090  ?   ?    67.950   22.052      ?      ? 
1 1 1   16   21    9 o  112.754   10.990   30.670   5.7914   0.0000   0.0000   30.670   5.7914  ?   ?   112.754   10.990      ?      ? 
1 1 1   16   21   10 o  158.418   16.646   63.036   12.324   0.0000   0.0000   63.036   12.324  ?   ?   158.418   16.646      ?      ? 
1 1 1   16   21   11 o  170.450   12.445   73.769   9.8880   71.110   14.312   76.197   13.677  166.931   18.345  173.970   16.822 -7.038910 24.89037 
1 1 1   16   21   12 o  137.237   9.3257   44.317   5.7766   53.306   9.8100   39.546   7.1472  146.914   14.288  127.559   11.989 19.35486 18.65133 
1 1 1   16   21   13 o  105.833   13.294   30.380   6.1878   39.454   8.5028   20.164   9.0221  126.246   14.411   85.420   22.344 40.82645 26.58840 
1 1 1   16   21   14 o  101.846   15.119   27.619   6.8777   24.449   8.8898   32.344   10.855   95.046   20.607  108.646   22.130 -13.59959 30.23852 
1 1 1   16   21   15 o  197.505   25.461  129.058   22.558  102.973   32.136  154.395   31.671  167.689   41.282  227.320   29.812 -59.63060 50.92114 
1 1 1   16   21   16 o   84.611   23.538   20.486   9.6474   0.0000   0.0000   20.486   9.6474  ?   ?    84.611   23.538      ?      ? 
1 1 1   16   21   17 o   91.711   18.287   22.426   7.5631   0.0000   0.0000   22.426   7.5631  ?   ?    91.711   18.287      ?      ? 
1 1 1   16   21   18 o   82.633   24.532   19.897   10.161   0.0000   0.0000   19.897   10.161  ?   ?    82.633   24.532      ?      ? 
1 1 1   16   21   19 o  121.422   27.093   43.815   14.984   0.0000   0.0000   43.815   14.984  ?   ?   121.422   27.093      ?      ? 
1 1 1   16   21   20 o   62.635   15.698   8.5099   5.7890   4.0212   7.2360   16.491   9.6489   49.349   20.050   75.920   24.160 -26.57040 31.39618 
1 1 1   16   21   21 o   38.159   12.732  -6.1588   5.4966  -6.2787   6.6912  -5.9100   9.6390   33.876   16.016   42.442   19.795 -8.565987 25.46331 
1 1 1   16   21   22 o   39.257   12.773  -3.0163   5.1659  -0.4724   6.0634  -9.7517   9.8662   38.822   17.121   39.693   18.959 -0.8710899 25.54546 
1 1 1   16   21   23 o   54.131   15.320   3.7473   5.7779  -0.6064   7.0549   12.616   10.069   41.208   18.305   67.054   24.572 -25.84679 30.64047 
1 1 1   16   21   24 f   70.777   17.922   14.532   7.9341   21.357   11.220   7.7044   11.221   82.189   26.042   59.366   24.631 22.82271 35.84472 
1 1 1   16   21   25 f   78.034   18.076   18.594   8.4813   7.5124   11.914   29.982   12.077   59.196   25.023   96.872   26.091 -37.67589 36.15101 
1 1 1   16   21   26 o  166.541   20.408   90.652   14.030   94.285   17.138   83.272   24.428  184.641   19.860  148.440   35.658 36.20061 40.81603 
1 1 1   16   21   27 o   60.542   14.056   8.7026   5.3041   17.389   7.6630   0.7136   7.3491   77.704   20.721   43.380   18.998 34.32405 28.11217 
1 1 1   16   21   28 o  102.111   14.046   29.262   6.5172   39.244   9.4562   20.231   8.9946  122.088   16.573   82.135   22.683 39.95248 28.09278 
1 1 1   16   21   29 o   97.043   14.064   27.955   6.2839   17.801   9.0604   37.367   8.7227   75.201   23.340  118.886   15.699 -43.68424 28.12854 
1 1 1   16   21   30 o   92.942   14.489   25.489   6.1207   30.209   9.1422   21.655   8.2399  101.425   19.998   84.458   20.972 16.96754 28.97787 
1 1 1   16   21   31 f   90.863   14.279   24.425   6.1345   33.389   9.0731   16.877   8.3259  109.224   17.774   72.503   22.353 36.72141 28.55838 
1 1 1   16   21   32 o   58.522   14.610   10.513   5.0461   8.6135   7.8054   11.878   6.6142   54.807   21.280   62.237   20.024 -7.430279 29.21955 
1 1 1   16   21   33 o   83.862   13.687   22.583   5.7036   12.369   8.5445   30.792   7.6600   61.435   22.616  106.288   15.421 -44.85247 27.37314 
1 1 1   16   21   34 o   69.066   14.540   15.012   5.0518   17.594   7.5062   12.873   6.8302   74.336   20.792   63.796   20.330 10.54023 29.07928 
1 1 1   16   21   35 o   61.354   14.430   12.150   5.0593   8.4061   7.7825   14.891   6.6582   53.590   21.119   69.118   19.671 -15.52802 28.86094 
1 1 1   16   21   36 o   44.340   14.236  -1.6559   6.0047   9.9432   10.703  -6.9834   7.2538   55.890   23.676   32.790   15.816 23.09977 28.47285 
1 1 1   16   21   37 o   42.309   13.644   1.2473   5.8510  -3.7920   10.951   3.2603   6.9217   41.796   19.967   42.823   18.601 -1.027233 27.28844 
1 1 1   16   22    0 o  101.060   20.171   30.983   11.667   30.983   11.667   30.983   11.667  101.060   28.527  101.060   28.527 -0.000000 0.000000 
1 1 1   16   22    1 o  148.787   17.791   61.513   12.073   66.358   17.169   56.774   16.980  156.650   23.451  140.923   26.760 15.72694 35.58195 
1 1 1   16   22    2 o   78.530   16.453   17.127   6.4631   17.947   9.3996   16.392   8.9012   80.132   23.544   76.928   22.989 3.204117 32.90610 
1 1 1   16   22    3 o  150.197   10.940   56.267   7.6655   61.046   11.056   51.842   10.638  156.554   15.110  143.839   15.825 12.71436 21.88023 
1 1 1   16   22    4 o  127.178   10.890   40.667   6.4208   37.105   9.3761   43.813   8.8109  121.266   16.544  133.090   14.166 -11.82426 21.77991 
1 1 1   16   22    5 o   39.772   10.665   2.9182   2.7716   4.2201   3.9393   1.6419   3.9004   43.318   15.436   36.227   14.720 7.091568 21.32918 
1 1 1   16   22    6 o   93.784   10.286   23.250   4.1358   30.106   5.6340   15.239   6.0902  111.562   10.806   76.007   17.506 35.55521 20.57263 
1 1 1   16   22    7 o  118.555   17.265   39.548   9.2378   43.394   13.529   36.188   12.645  124.298   24.159  112.813   24.670 11.48422 34.52942 
1 1 1   16   22    8 o   81.499   15.478   18.040   5.8475   20.497   9.7422   16.657   7.3109   84.796   23.677   78.203   19.942 6.592804 30.95577 
1 1 1   16   22    9 f  141.879   15.375   53.757   9.4239   51.845   11.609   57.451   16.138  142.033   17.488  141.725   25.293 0.3077240 30.75010 
1 1 1   16   22   10 o   94.085   12.166   22.653   5.1945   28.159   7.8439   18.352   6.9324  105.412   15.922   82.758   18.400 22.65401 24.33258 
1 1 1   16   22   11 o   85.467   16.229   20.810   6.3817   20.423   11.247   20.993   7.7501   82.913   26.049   88.020   19.366 -5.106812 32.45887 
1 1 1   16   22   12 o   83.959   12.309   18.646   4.5312   17.791   7.7014   19.098   5.6037   80.260   20.468   87.658   13.679 -7.397194 24.61797 
1 1 1   16   22   13 o   54.308   12.694   6.9742   3.3858   9.0244   6.7236   6.2777   3.9190   58.994   20.228   49.622   15.342 9.372433 25.38816 
1 1 1   16   22   14 o   95.324   13.644   20.495   4.8161   31.468   11.437   18.130   5.3098  105.037   23.843   85.612   13.271 19.42519 27.28755 
1 1 1   16   22   15 o   78.279   15.243   18.142   5.4519   12.843   11.482   19.685   6.1948   69.358   26.083   87.199   15.782 -17.84062 30.48631 
1 1 1   16   22   16 o  119.841   18.393   43.351   10.452   26.505   15.008   59.213   14.563   91.156   30.217  148.526   20.981 -57.37000 36.78660 
1 1 1   16   22   17 o   89.986   18.654   24.595   8.3792   22.679   12.547   26.138   11.258   85.921   27.572   94.050   25.133 -8.128845 37.30746 
1 1 1   16   22   18 o  103.048   15.476   30.898   7.1830   35.229   9.2124   24.182   11.472  116.796   16.877   89.300   25.945 27.49545 30.95152 
1 1 1   16   22   19 o  124.793   14.798   41.077   7.9370   49.143   14.100   37.336   9.6029  129.962   24.102  119.624   17.177 10.33798 29.59661 
1 1 1   16   22   20 o  174.596   17.207   87.403   13.182   94.802   22.953   83.761   16.103  173.834   28.252  175.357   19.648 -1.523254 34.41302 
1 1 1   16   22   21 o  111.257   17.599   33.061   9.1509   0.0000   0.0000   33.061   9.1509  ?   ?   111.257   17.599      ?      ? 
1 1 1   16   22   22 o  134.828   16.410   51.047   9.4058   60.845   16.938   46.678   11.310  138.460   27.146  131.197   18.446 7.262863 32.81978 
1 1 1   16   22   23 o  136.420   15.972   51.504   9.4209   61.456   16.498   46.688   11.476  141.503   25.902  131.337   18.696 10.16585 31.94494 
1 1 1   16   22   24 o   92.137   17.172   24.374   7.0917   31.046   12.712   21.359   8.5451   98.455   26.874   85.818   21.383 12.63663 34.34340 
1 1 1   16   22   25 o   73.457   16.203   16.974   6.5436   20.867   8.2577   10.402   10.728   84.710   20.970   62.204   24.706 22.50645 32.40574 
1 1 1   16   22   26 o   69.445   21.371   14.574   7.6144   14.574   7.6144   0.0000   0.0000   69.445   21.371  ?   ?       ?      ? 
1 1 1   16   22   27 o  102.109   17.262   31.250   7.8412   24.616   9.6048   44.508   13.578   88.009   23.070  116.210   25.684 -28.20105 34.52409 
1 1 1   16   22   28 o   58.543   14.833   10.074   5.1723   12.448   7.6448   8.0699   7.0242   63.253   21.570   53.833   20.366 9.419773 29.66549 
1 1 1   16   22   29 o   66.033   14.908   13.365   5.3264   18.027   7.8856   9.4537   7.2232   75.607   21.369   56.458   20.793 19.14843 29.81561 
1 1 1   16   22   30 o   51.335   14.065   6.2506   4.9926   11.680   7.5732   2.0772   6.6398   60.685   21.426   41.984   18.227 18.70113 28.13008 
1 1 1   16   22   31 o   97.066   14.762   29.549   6.5053   25.858   9.3974   32.945   9.0144   88.761   22.596  105.371   19.004 -16.60969 29.52493 
1 1 1   16   22   32 o   63.933   15.179   13.172   5.3200   14.833   8.0700   11.894   7.0751   66.728   22.159   61.137   20.751 5.591003 30.35887 
1 1 1   16   22   33 o   51.387   14.972   7.1670   5.6961   8.1581   6.7958   4.8263   10.444   52.562   19.996   50.212   22.290 2.350163 29.94498 
1 1 1   16   22   34 o   58.965   14.840   12.213   5.4483   6.4646   10.610   14.271   6.3494   51.064   22.577   66.866   19.266 -15.80186 29.68001 
1 1 1   16   22   35 o   64.177   16.023   13.716   5.4455   19.723   10.727   11.630   6.3206   68.981   25.348   59.373   19.606 9.608131 32.04585 
1 1 1   16   23    0 o   57.295   13.516   10.229   4.5613   10.229   4.5613   10.229   4.5613   57.295   19.114   57.295   19.114 -0.000000 0.000000 
1 1 1   16   23    1 o   38.900   9.9895   1.4280   2.9218   6.6691   3.9752  -4.7304   4.3091   50.964   15.393   26.836   12.736 24.12794 19.97900 
1 1 1   16   23    2 o   80.508   10.406   16.572   3.5136   16.243   6.3199   16.719   4.2271   78.065   17.727   82.950   10.904 -4.885269 20.81207 
1 1 1   16   23    3 o   49.468   11.319   5.4834   2.7534   8.2702   5.2253   4.4122   3.2396   56.327   17.764   42.610   14.035 13.71687 22.63896 
1 1 1   16   23    4 o   65.863   11.463   11.609   3.3264   9.8198   6.3784   12.277   3.8985   60.859   19.672   70.867   11.771 -10.00809 22.92513 
1 1 1   16   23    5 o   91.568   10.731   21.597   4.0148   20.735   7.4005   21.957   4.7792   88.009   18.576   95.126   10.750 -7.116615 21.46218 
1 1 1   16   23    6 o  133.298   11.083   40.254   5.6626   53.789   12.904   37.025   6.3018  143.139   19.289  123.456   10.922 19.68266 22.16693 
1 1 1   16   23    7 o   71.681   12.351   8.4184   3.4031   25.574   8.6186   5.2495   3.7041   97.318   19.627   46.044   15.000 51.27382 24.70227 
1 1 1   16   23    8 o  109.453   10.630   30.223   5.2154   29.618   8.6026   30.574   6.5579  107.435   17.133  111.470   12.588 -4.035210 21.26068 
1 1 1   16   23    9 o   59.276   12.942   8.6985   3.8422   12.030   6.4398   6.8570   4.7877   66.572   19.467   51.979   17.059 14.59291 25.88385 
1 1 1   16   23   10 o  126.414   15.384   43.421   8.3530   42.680   10.274   44.867   14.346  128.827   17.065  124.002   25.603 4.824448 30.76895 
1 1 1   16   23   11 o  101.535   14.123   24.823   6.3481   17.004   7.7114   41.262   11.181   78.075   20.771  124.996   19.140 -46.92106 28.24502 
1 1 1   16   23   12 f  140.784   28.876   61.269   18.362   61.269   18.362   0.0000   0.0000  140.784   28.876  ?   ?       ?      ? 
1 1 1   16   23   13 o  104.114   18.981   33.838   9.4772   26.841   13.702   40.256   13.122   91.245   28.764  116.983   24.773 -25.73868 37.96168 
1 1 1   16   23   14 o   74.938   13.870   10.289   3.5791   26.202   10.392   8.1480   3.8123   94.170   23.647   55.706   14.502 38.46476 27.73958 
1 1 1   16   23   15 o   50.531   13.811   4.7023   3.1593   8.3703   9.9151   4.2878   3.3331   59.144   23.666   41.918   14.243 17.22624 27.62152 
1 1 1   16   23   16 o   48.316   11.546   6.2274   3.0996   2.4289   6.2945   7.4433   3.5613   43.521   18.281   53.112   14.108 -9.591702 23.09203 
1 1 1   16   23   17 o   71.744   12.306   13.917   3.7723   14.669   7.1963   13.632   4.4297   71.110   20.517   72.378   13.595 -1.267761 24.61254 
1 1 1   16   23   18 o   95.356   13.655   26.585   6.0121   14.690   8.6811   37.548   8.3344   69.964   22.971  120.747   14.769 -50.78281 27.30929 
1 1 1   16   23   19 o  104.517   13.298   30.145   6.1983   40.638   8.9491   20.470   8.5932  125.471   15.261   83.563   21.782 41.90765 26.59602 
1 1 1   16   23   20 f   93.085   13.846   24.147   5.8264   26.438   8.5328   22.145   7.9751   97.446   19.418   88.723   19.742 8.722885 27.69151 
1 1 1   16   23   21 o  100.072   12.854   26.646   5.7616   38.136   8.7911   17.995   7.6283  121.176   15.523   78.968   20.492 42.20776 25.70826 
1 1 1   16   23   22 o  127.115   16.024   45.194   8.7189   56.855   15.722   40.015   10.478  133.685   26.100  120.545   18.599 13.14053 32.04877 
1 1 1   16   23   23 o  112.172   17.428   40.827   8.5425   38.010   15.077   42.159   10.367  100.931   29.865  123.413   17.975 -22.48167 34.85648 
1 1 1   16   23   24 o   65.143   16.590   13.448   6.2592   13.963   10.985   13.200   7.6166   65.102   25.253   65.184   21.522 -0.8259583E-01 33.18042 
1 1 1   16   23   25 o  131.234   18.643   61.813   10.563   46.345   17.826   70.186   13.114  104.112   32.807  158.355   17.720 -54.24327 37.28664 
1 1 1   16   23   26 o   80.083   13.238   13.017   6.1710   41.988   10.799  -1.0285   7.5195  120.228   19.220   39.938   18.210 80.28973 26.47671 
1 1 1   16   23   27 o   49.618   14.931   5.1793   5.6925   6.3471   10.386   4.6779   6.8057   52.755   22.850   46.480   19.225 6.274834 29.86164 
1 1 1   16   23   28 o   68.826   14.972   12.596   6.1039   2.5390   7.8095   28.384   9.7852   44.521   19.538   93.130   22.691 -48.60863 29.94368 
1 1 1   16   23   29 o  111.959   14.280   38.112   7.2661   34.520   10.388   41.554   10.168  103.982   22.059  119.936   18.140 -15.95380 28.55935 
1 1 1   16   23   30 o   55.413   13.681   8.7821   5.0025   1.4488   7.4357   14.846   6.7615   42.193   18.765   68.632   19.913 -26.43970 27.36136 
1 1 1   16   23   31 o   55.508   14.691   2.9543   5.4040   23.468   10.370  -4.6924   6.3315   78.713   25.047   32.303   15.362 46.41054 29.38243 
1 1 1   16   23   32 o   43.785   13.953   1.7912   5.3133   6.7426   10.343   0.0162   6.1929   50.633   22.344   36.936   16.717 13.69651 27.90519 
1 1 1   16   24    0 o   68.030   15.511   14.515   6.1591   14.515   6.1591   14.515   6.1591   68.030   21.936   68.030   21.936 -0.000000 0.000000 
1 1 1   16   24    1 o  144.105   9.0012   51.563   6.0556   54.972   8.7223   48.390   8.4138  148.826   12.540  139.385   12.916 9.441391 18.00244 
1 1 1   16   24    2 o  276.785   15.253  213.012   19.416  176.165   27.479  249.746   27.437  248.306   23.679  305.264   19.232 -56.95872 30.50527 
1 1 1   16   24    3 o  110.374   12.029   33.542   5.6796   22.862   8.4549   42.325   7.6671   90.240   20.513  130.509   12.570 -40.26884 24.05793 
1 1 1   16   24    4 o   87.142   9.7776   18.652   3.9055   21.611   6.3090   16.813   4.9729   92.225   14.638   82.059   12.967 10.16553 19.55512 
1 1 1   16   24    5 o  176.599   10.860   80.530   8.7118   77.347   13.821   82.628   11.222  171.644   17.229  181.553   13.226 -9.909042 21.72017 
1 1 1   16   24    6 o   44.034   12.536   3.2961   3.1611   4.0648   7.8196   3.1459   3.4561   49.569   20.563   38.498   14.343 11.07012 25.07132 
1 1 1   16   24    7 o   79.663   16.054   18.559   6.0920   17.801   7.5759   19.945   10.248   78.953   20.389   80.373   24.802 -1.419464 32.10751 
1 1 1   16   24    8 o  126.690   11.341   41.501   6.6842   45.837   10.052   38.064   8.9496  132.402   16.245  120.979   15.829 11.42326 22.68133 
1 1 1   16   24    9 o   67.141   13.122   13.059   4.3528   9.5947   6.9309   15.316   5.5934   58.973   20.520   75.309   16.360 -16.33655 26.24328 
1 1 1   16   24   10 o  121.733   19.869   48.897   11.108   43.478   16.367   53.524   15.124  111.589   30.509  131.877   25.461 -20.28782 39.73732 
1 1 1   16   24   11 o  111.498   15.916   37.514   6.5098   34.000   14.477   38.405   7.2881   99.355   29.227  123.641   12.613 -24.28522 31.83204 
1 1 1   16   24   12 o  119.974   12.643   34.266   6.3349   49.639   12.849   29.329   7.2813  133.093   20.658  106.856   14.580 26.23675 25.28511 
1 1 1   16   24   13 o  113.522   16.161   37.486   7.9763   37.292   9.8237   37.861   13.664  118.143   17.792  108.901   26.985 9.241768 32.32257 
1 1 1   16   24   14 o   64.226   14.091   11.282   4.8657   16.027   7.1083   7.0982   6.6745   75.049   19.931   53.403   19.925 21.64638 28.18243 
1 1 1   16   24   15 o   69.662   14.013   13.806   4.7518   13.498   7.3510   14.028   6.2280   68.413   20.989   70.910   18.572 -2.496742 28.02599 
1 1 1   16   24   16 o   93.735   10.430   19.991   4.1909   32.488   7.7694   14.862   4.9771  112.371   14.794   75.100   14.707 37.27182 20.86054 
1 1 1   16   24   17 o  140.202   9.8855   49.948   6.2491   52.292   10.339   48.598   7.8441  141.166   15.671  139.237   12.054 1.929184 19.77102 
1 1 1   16   24   18 o   78.970   11.553   16.170   3.8471   18.996   7.2193   15.049   4.5465   80.983   19.341   76.956   12.641 4.026367 23.10568 
1 1 1   16   24   19 o   46.195   12.172   5.0596   3.1204   5.5066   6.6613   4.9340   3.5319   48.743   19.434   43.647   14.663 5.095623 24.34453 
1 1 1   16   24   20 o   42.813   12.575   3.1747   4.1246   2.3360   6.4373   3.7588   5.3722   42.540   18.201   43.086   17.357 -0.5464821 25.15030 
1 1 1   16   24   21 o   62.955   17.074   12.266   6.9812   16.600   10.889   9.2417   9.0965   69.034   25.511   56.875   22.699 12.15937 34.14762 
1 1 1   16   24   22 o   64.784   16.978   14.106   7.0235   10.439   10.740   16.847   9.2842   58.967   24.245   70.601   23.772 -11.63360 33.95504 
1 1 1   16   24   23 o   42.015   13.009   1.1014   4.9976   4.6021   7.0960  -2.3440   7.0398   46.835   19.522   37.195   17.199 9.640038 26.01800 
1 1 1   16   24   24 o  100.061   16.967   35.043   7.9271   38.028   9.8437   29.536   13.371  114.645   18.372   85.477   28.530 29.16853 33.93361 
1 1 1   16   24   25 o   73.290   13.924   16.999   5.6229   6.8033   8.0383   26.769   7.8683   51.109   20.990   95.470   18.301 -44.36103 27.84795 
1 1 1   16   24   26 o   87.168   17.730   25.531   7.2576   21.909   8.8349   33.046   12.727   81.255   22.497   93.081   27.410 -11.82635 35.46003 
1 1 1   16   24   27 o   78.694   16.942   22.672   6.8651   19.975   12.225   23.915   8.2968   70.440   26.815   86.948   20.713 -16.50738 33.88309 
1 1 1   16   24   28 o   53.724   20.660   9.0723   7.3036   0.0000   0.0000   9.0723   7.3036  ?   ?    53.724   20.660      ?      ? 
1 1 1   16   24   29 o   72.172   25.814   21.710   11.027   0.0000   0.0000   21.710   11.027  ?   ?    72.172   25.814      ?      ? 
1 1 1   16   25    0 o  156.338   9.8097   60.810   9.9527   60.810   9.9527   60.810   9.9527  156.338   13.873  156.338   13.873 -0.000000 0.000000 
1 1 1   16   25    1 o  171.003   10.617   72.391   8.3259   93.299   13.330   59.015   10.661  190.546   14.968  151.459   15.062 39.08638 21.23470 
1 1 1   16   25    2 o   72.767   10.874   13.456   3.5261   17.693   5.7085   10.842   4.4837   81.765   15.506   63.769   15.250 17.99683 21.74886 
1 1 1   16   25    3 o   57.461   12.155   9.6655   3.5944   4.3343   7.2504   11.403   4.1388   48.841   19.982   66.080   13.845 -17.23951 24.31012 
1 1 1   16   25    4 o   97.847   11.411   25.961   4.8840   18.132   7.0558   33.162   6.7671   80.535   19.045  115.159   12.574 -34.62365 22.82170 
1 1 1   16   25    5 o   83.460   13.290   18.811   4.8037   21.049   8.4849   17.755   5.8277   85.199   21.352   81.721   15.830 3.477180 26.58005 
1 1 1   16   25    6 o  113.843   18.396   40.797   9.6897   49.191   13.584   32.101   13.826  129.478   23.305   98.208   28.469 31.27032 36.79164 
1 1 1   16   25    7 o   90.703   17.359   27.148   7.9524   17.598   13.152   32.651   9.9844   74.078   27.905  107.329   20.655 -33.25115 34.71721 
1 1 1   16   25    8 o  117.219   19.735   44.513   10.595   45.607   16.061   43.670   14.097  116.375   29.494  118.063   26.230 -1.688057 39.46983 
1 1 1   16   25    9 o  145.675   17.349   64.252   9.0014   61.334   19.416   65.051   10.159  131.437   31.925  159.913   13.594 -28.47644 34.69876 
1 1 1   16   25   10 o   85.289   15.383   25.104   6.7788   10.425   13.148   30.419   7.9115   62.994   26.438  107.585   15.735 -44.59130 30.76654 
1 1 1   16   25   11 o   98.626   10.750   24.341   4.7022   29.518   8.3076   21.901   5.7037  104.632   16.989   92.621   13.177 12.01123 21.50009 
1 1 1   16   25   12 o   81.129   12.802   18.242   4.6679   21.506   7.3828   16.068   6.0250   86.668   18.771   75.590   17.413 11.07728 25.60401 
1 1 1   16   25   13 o   63.813   13.274   10.878   4.2584   17.279   6.9820   7.0863   5.3736   76.547   19.471   51.079   18.047 25.46760 26.54803 
1 1 1   16   25   14 o  200.639   15.019  119.743   14.077  123.642   20.000  115.915   19.817  204.506   20.926  196.771   21.549 7.735535 30.03745 
1 1 1   16   25   15 o  128.167   10.612   44.404   5.9553   41.039   10.028   46.237   7.4018  121.298   17.690  135.036   11.729 -13.73768 21.22462 
1 1 1   16   25   16 o  144.088   13.053   59.071   8.7213   52.106   12.341   66.021   12.327  133.739   19.744  154.438   17.079 -20.69875 26.10581 
1 1 1   16   25   17 o  121.602   13.063   42.497   7.1933   38.312   10.324   46.445   10.028  113.275   20.245  129.929   16.515 -16.65316 26.12650 
1 1 1   16   25   18 f  110.111   13.392   35.338   6.7250   34.757   9.7739   35.859   9.2675  107.504   20.195  112.717   17.593 -5.213310 26.78325 
1 1 1   16   25   19 o  101.570   12.984   33.139   5.3025   21.501   9.3101   38.727   6.4511   79.659   23.439  123.481   11.179 -43.82258 25.96836 
1 1 1   16   25   20 o  118.911   13.672   39.878   5.9838   44.974   12.900   38.481   6.7545  115.415   24.663  122.408   11.807 -6.992317 27.34380 
1 1 1   16   25   21 o  105.455   16.994   41.049   8.2664   29.156   14.598   46.663   10.029   81.819   29.646  129.091   16.624 -47.27157 33.98874 
1 1 1   16   25   22 o   56.886   14.238   10.031   4.8555   7.4660   7.3743   11.994   6.4513   51.760   20.507   62.012   19.757 -10.25230 28.47599 
1 1 1   16   25   23 o   62.308   12.333   9.2770   3.6034   19.088   6.8528   5.5279   4.2363   79.440   18.758   45.175   16.017 34.26457 24.66592 
1 1 1   16   25   24 o   79.221   14.730   17.389   4.3331   26.316   11.252   15.834   4.6951   82.319   26.079   76.123   13.701 6.196510 29.45932 
1 1 1   16   25   25 o   40.323   13.123  -0.3623   4.9014   3.8867   9.7696  -1.7915   5.6661   47.217   21.217   33.428   15.448 13.78949 26.24527 
1 1 1   16   25   26 o   78.425   19.155   26.895   8.5475   26.722   12.852   27.032   11.446   76.266   27.788   80.583   26.373 -4.317017 38.31055 
1 1 1   16   26    0 o   37.792   14.335   5.5373   4.9236   5.5373   4.9236   5.5373   4.9236   37.792   20.273   37.792   20.273 -0.000000 0.000000 
1 1 1   16   26    1 o   46.936   11.544   4.7016   3.4221   0.5175   4.5791   9.9948   5.1503   34.791   15.121   59.080   17.447 -24.28899 23.08771 
1 1 1   16   26    2 o   29.011   9.1552  -0.7573   2.5445  -3.5432   4.3714   0.6703   3.1292   27.858   13.102   30.164   12.791 -2.305477 18.31039 
1 1 1   16   26    3 f   39.805   10.512   2.5464   3.0329  -2.1387   4.4013   6.7830   4.1853   29.855   13.731   49.754   15.920 -19.89872 21.02380 
1 1 1   16   26    4 o   45.359   13.558   3.1133   4.7924   1.6334   6.0307   5.6493   7.8948   40.502   17.477   50.215   20.733 -9.713509 27.11638 
1 1 1   16   26    5 o   85.499   16.174   20.215   6.2260   0.0000   0.0000   20.215   6.2260  ?   ?    85.499   16.174      ?      ? 
1 1 1   16   26    6 o  101.828   11.732   26.308   5.5832   0.0000   0.0000   26.308   5.5832  ?   ?   101.828   11.732      ?      ? 
1 1 1   16   26    7 o   60.409   14.704   10.009   4.1121   0.0000   0.0000   10.009   4.1121  ?   ?    60.409   14.704      ?      ? 
1 1 1   16   26    8 o  113.842   11.837   32.986   6.2975   0.0000   0.0000   32.986   6.2975  ?   ?   113.842   11.837      ?      ? 
1 1 1   16   26    9 o   54.002   12.443   8.6256   3.4631   5.3254   7.7115   9.4594   3.8760   49.147   20.407   58.858   14.244 -9.710266 24.88687 
1 1 1   16   26   10 o   66.613   16.247   14.629   6.2497   11.689   8.9478   17.429   8.7330   60.686   22.979   72.540   22.974 -11.85454 32.49395 
1 1 1   16   26   11 o   52.230   11.653   8.2115   3.4449   2.9551   6.3777   10.377   4.0934   43.024   18.254   61.436   14.492 -18.41140 23.30697 
1 1 1   16   26   12 o   66.048   13.305   12.384   4.6039   20.238   7.0711   6.6038   6.0657   82.572   18.751   49.524   18.880 33.04789 26.60919 
1 1 1   16   26   13 o   37.807   10.610   2.3069   3.1984  -6.0044   6.2234   5.2902   3.7285   31.198   14.944   44.416   15.064 -13.21799 21.21926 
1 1 1   16   26   14 o   46.107   12.441   4.3729   4.2945  -2.4531   6.5208   9.6015   5.7070   35.609   16.497   56.604   18.627 -20.99453 24.88200 
1 1 1   16   26   15 o   26.389   9.1370  -4.3385   2.5780  -4.0777   6.1944  -4.3931   2.8352   32.924   15.518   19.854   9.6498 13.06975 18.27391 
1 1 1   16   26   16 o   53.340   13.023   7.5050   3.5042   10.716   7.1970   6.5073   4.0118   58.393   20.858   48.288   15.601 10.10571 26.04692 
1 1 1   16   26   17 o  136.052   10.134   46.890   6.2277   61.572   10.613   39.180   7.6911  150.409   15.098  121.695   13.523 28.71450 20.26849 
1 1 1   16   26   18 o  105.880   13.569   29.959   5.4514   40.738   11.934   27.116   6.1282  110.125   23.875  101.635   12.902 8.489639 27.13837 
1 1 1   16   26   19 o   83.238   15.816   25.169   6.5687   18.304   11.283   28.689   8.0792   68.279   25.816   98.196   18.277 -29.91605 31.63119 
1 1 1   16   26   20 f   43.080   17.387   4.4097   5.4021   0.0000   0.0000   4.4097   5.4021  ?   ?    43.080   17.387      ?      ? 
1 1 1   16   26   21 o   63.106   15.745   14.709   5.8679   11.944   11.183   15.759   6.8931   57.212   24.217   69.000   20.130 -11.78804 31.49093 
1 1 1   16   26   22 o   85.641   15.753   29.307   7.0379   18.890   13.385   33.288   8.2742   64.311   26.809  106.971   16.551 -42.65982 31.50673 
1 1 1   16   27    0 o   49.826   14.346   8.9115   4.6404   8.9115   4.6404   8.9115   4.6404   49.826   20.289   49.826   20.289 -0.000000 0.000000 
1 1 1   16   27    1 o   80.535   13.529   18.570   4.3121   17.902   4.8226   21.232   9.6302   83.079   12.421   77.991   24.039 5.088188 27.05834 
1 1 1   16   27    2 o  113.673   12.843   32.739   5.6764   28.588   6.4102   47.818   12.219  104.365   13.142  122.981   22.070 -18.61557 25.68640 
1 1 1   16   27    3 f   85.440   16.432   23.642   6.8119   17.201   8.8381   33.069   10.691   70.842   23.174  100.038   23.301 -29.19633 32.86314 
1 1 1   16   27    4 o   48.088   14.497   6.3902   3.5283   0.0000   0.0000   6.3902   3.5283  ?   ?    48.088   14.497      ?      ? 
1 1 1   16   27    5 o   61.522   17.745   11.251   5.3839   0.0000   0.0000   11.251   5.3839  ?   ?    61.522   17.745      ?      ? 
1 1 1   16   27    6 o   65.534   17.684   12.728   5.5416   0.0000   0.0000   12.728   5.5416  ?   ?    65.534   17.684      ?      ? 
1 1 1   16   27    7 f  147.917   15.793   67.071   8.8537   70.581   17.736   65.906   10.218  138.434   28.368  157.399   13.890 -18.96445 31.58609 
1 1 1   16   27    8 o   61.188   12.568   11.959   3.8150   7.6937   7.7608   13.318   4.3809   52.418   20.951   69.959   13.889 -17.54126 25.13651 
1 1 1   16   27    9 o   66.276   14.625   13.708   4.8433   15.330   8.3917   12.898   5.9308   67.329   22.601   65.223   18.566 2.106133 29.24924 
1 1 1   16   27   10 o   70.291   12.467   11.615   3.7532   23.462   7.6319   7.8355   4.3105   88.260   19.060   52.322   16.076 35.93822 24.93398 
1 1 1   16   27   11 o   48.167   12.387   6.3881   3.3596   5.4441   7.0090   6.6697   3.8280   47.589   19.579   48.746   15.178 -1.157059 24.77302 
1 1 1   16   27   12 f   36.939   10.658  -2.1848   3.9248 -16.3119   6.2272   7.1252   5.0552   24.149   12.154   49.729   17.511 -25.58018 21.31537 
1 1 1   16   27   13 o   44.403   12.659   4.7302   3.8755   4.3477   6.9922   4.8998   4.6561   45.277   19.156   43.530   16.554 1.746861 25.31761 
1 1 1   16   27   14 o   67.643   13.999   13.284   4.1301   18.511   8.8162   11.814   4.6749   71.566   23.128   63.720   15.781 7.846001 27.99874 
1 1 1   16   27   15 o   42.087   12.851   3.4099   3.4894   1.1519   10.644   3.6818   3.6935   45.421   21.054   38.753   14.742 6.667221 25.70244 
1 1 1   16   27   16 o   49.531   14.465   5.0007   3.4612   13.710   11.751   4.1733   3.6219   59.057   24.901   40.005   14.725 19.05270 28.92916 
1 1 1   16   27   17 o   57.792   15.601   9.8456   4.3121   0.0000   0.0000   9.8456   4.3121  ?   ?    57.792   15.601      ?      ? 
1 1 1   16   28    0 o   31.271   12.782   3.6393   4.2824   3.6393   4.2824   3.6393   4.2824   31.271   18.077   31.271   18.077 -0.000000 0.000000 
1 1 1   16   28    1 o   60.938   13.196   11.356   4.0506   14.367   6.4831   9.4275   5.1878   66.559   19.552   55.316   17.727 11.24321 26.39210 
1 1 1   16   28    2 o   55.686   11.234   9.1058   3.2569   5.5186   4.5747   12.793   4.6379   44.678   16.530   66.694   15.216 -22.01643 22.46705 
1 1 1   16   28    3 o   78.665   15.653   21.406   6.0584   17.744   8.2904   25.602   8.8752   70.504   22.390   86.826   21.880 -16.32189 31.30617 
1 1 1   16   28    4 o   44.601   18.203   4.9689   5.9983   0.0000   0.0000   4.9689   5.9983  ?   ?    44.601   18.203      ?      ? 
1 1 1   16   28    5 o   36.745   11.492   1.0042   3.5081   2.2965   6.7117   0.5184   4.1149   41.097   18.073   32.393   14.200 8.704029 22.98413 
1 1 1   16   28    6 o   64.864   14.753   12.036   4.3714   0.0000   0.0000   12.036   4.3714  ?   ?    64.864   14.753      ?      ? 
1 1 1   16   28    7 o   88.327   13.234   21.075   5.4630   0.0000   0.0000   21.075   5.4630  ?   ?    88.327   13.234      ?      ? 
1 1 1   16   28    8 o   61.607   14.859   10.938   4.2286   0.0000   0.0000   10.938   4.2286  ?   ?    61.607   14.859      ?      ? 
1 1 1   17    0    1 o  203.415   9.0174   98.738   12.014   98.738   12.014   98.738   12.014  203.415   12.753  203.415   12.753 -0.000000 0.000000 
1 1 1   17    0    2 o  213.184   9.1035  108.385   12.720  108.385   12.720  108.385   12.720  213.184   12.874  213.184   12.874 -0.000000 0.000000 
1 1 1   17    0    3 o  304.336   12.508  222.602   24.965  222.602   24.965  222.602   24.965  304.336   17.689  304.336   17.689 -0.000000 0.000000 
1 1 1   17    0    4 o   94.399   7.3557   21.699   4.4471   21.699   4.4471   21.699   4.4471   94.399   10.403   94.399   10.403 -0.000000 0.000000 
1 1 1   17    0    5 o  124.561   8.6538   37.612   6.9665   37.612   6.9665   37.612   6.9665  124.561   12.238  124.561   12.238 -0.000000 0.000000 
1 1 1   17    0    6 o  352.585   16.736  304.229   38.597  304.229   38.597  304.229   38.597  352.585   23.668  352.585   23.668 -0.000000 0.000000 
1 1 1   17    0    7 o  219.872   13.768  118.166   19.647  118.166   19.647  118.166   19.647  219.872   19.471  219.872   19.471 -0.000000 0.000000 
1 1 1   17    0    8 o   73.850   11.520   14.617   4.9187   14.617   4.9187   14.617   4.9187   73.850   16.292   73.850   16.292 -0.000000 0.000000 
1 1 1   17    0    9 o  140.989   8.7990   47.955   8.0524   47.955   8.0524   47.955   8.0524  140.989   12.444  140.989   12.444 -0.000000 0.000000 
1 1 1   17    0   10 o  100.700   7.7883   24.699   5.0259   24.699   5.0259   24.699   5.0259  100.700   11.014  100.700   11.014 -0.000000 0.000000 
1 1 1   17    0   11 f  192.436   8.3787   88.222   10.564   88.222   10.564   88.222   10.564  192.436   11.849  192.436   11.849 -0.000000 0.000000 
1 1 1   17    0   12 o  173.177   9.5278   72.067   10.753   72.067   10.753   72.067   10.753  173.177   13.474  173.177   13.474 -0.000000 0.000000 
1 1 1   17    0   13 o  336.346   16.217  275.980   35.666  275.980   35.666  275.980   35.666  336.346   22.934  336.346   22.934 -0.000000 0.000000 
1 1 1   17    0   14 o  205.728   13.856  103.738   18.448  103.738   18.448  103.738   18.448  205.728   19.595  205.728   19.595 -0.000000 0.000000 
1 1 1   17    0   15 f  221.061   13.543  119.266   19.446  119.266   19.446  119.266   19.446  221.061   19.153  221.061   19.153 -0.000000 0.000000 
1 1 1   17    0   16 o   17.740   8.5995  -2.1348   3.2302  -2.1348   3.2302  -2.1348   3.2302   17.740   12.162   17.740   12.162 -0.000000 0.000000 
1 1 1   17    0   17 o  168.567   9.9761   68.664   10.935   68.664   10.935   68.664   10.935  168.567   14.108  168.567   14.108 -0.000000 0.000000 
1 1 1   17    0   18 o   51.525   14.718   8.8100   4.8954   8.8100   4.8954   8.8100   4.8954   51.525   20.814   51.525   20.814 -0.000000 0.000000 
1 1 1   17    0   19 o   75.319   11.629   15.210   5.0707   15.210   5.0707   15.210   5.0707   75.319   16.446   75.319   16.446 -0.000000 0.000000 
1 1 1   17    0   20 o  163.224   9.1214   64.182   9.6988   64.182   9.6988   64.182   9.6988  163.224   12.900  163.224   12.900 -0.000000 0.000000 
1 1 1   17    0   21 o   67.582   12.524   12.827   4.8334   12.827   4.8334   12.827   4.8334   67.582   17.711   67.582   17.711 -0.000000 0.000000 
1 1 1   17    0   22 o   76.408   11.070   15.433   4.9413   15.433   4.9413   15.433   4.9413   76.408   15.655   76.408   15.655 -0.000000 0.000000 
1 1 1   17    0   23 o   36.514   13.130   4.6891   3.9718   4.6891   3.9718   4.6891   3.9718   36.514   18.568   36.514   18.568 -0.000000 0.000000 
1 1 1   17    0   24 o   89.437   10.249   20.351   5.5814   20.351   5.5814   20.351   5.5814   89.437   14.495   89.437   14.495 -0.000000 0.000000 
1 1 1   17    0   25 o   64.821   21.908   15.322   10.774   15.322   10.774   15.322   10.774   64.821   30.983   64.821   30.983 -0.000000 0.000000 
1 1 1   17    0   26 o  112.990   22.220   37.561   14.355   37.561   14.355   37.561   14.355  112.990   31.424  112.990   31.424 -0.000000 0.000000 
1 1 1   17    0   28 o  234.772   24.006  148.227   34.984  148.227   34.984  148.227   34.984  234.772   33.949  234.772   33.949 -0.000000 0.000000 
1 1 1   17    0   29 o  173.096   9.8489   72.553   11.100   72.553   11.100   72.553   11.100  173.096   13.928  173.096   13.928 -0.000000 0.000000 
1 1 1   17    0   30 o  191.557   9.7034   88.406   12.140   88.406   12.140   88.406   12.140  191.557   13.723  191.557   13.723 -0.000000 0.000000 
1 1 1   17    0   31 o   93.857   10.259   22.339   5.9114   22.339   5.9114   22.339   5.9114   93.857   14.509   93.857   14.509 -0.000000 0.000000 
1 1 1   17    0   32 o  182.469   12.591   82.305   14.852   82.305   14.852   82.305   14.852  182.469   17.806  182.469   17.806 -0.000000 0.000000 
1 1 1   17    0   33 o   45.936   14.290   7.3130   4.5439   7.3130   4.5439   7.3130   4.5439   45.936   20.208   45.936   20.208 -0.000000 0.000000 
1 1 1   17    0   34 o   13.324   6.8627  -7.8656   3.5177  -7.8656   3.5177  -7.8656   3.5177   13.324   9.7053   13.324   9.7053 -0.000000 0.000000 
1 1 1   17    0   35 o  165.930   9.6726   66.949   10.442   66.949   10.442   66.949   10.442  165.930   13.679  165.930   13.679 -0.000000 0.000000 
1 1 1   17    0   36 f  127.454   9.2490   39.874   7.6032   39.874   7.6032   39.874   7.6032  127.454   13.080  127.454   13.080 -0.000000 0.000000 
1 1 1   17    0   37 o  139.277   13.991   49.952   12.128   49.952   12.128   49.952   12.128  139.277   19.786  139.277   19.786 -0.000000 0.000000 
1 1 1   17    0   38 o  161.501   9.5871   63.636   10.067   63.636   10.067   63.636   10.067  161.501   13.558  161.501   13.558 -0.000000 0.000000 
1 1 1   17    0   39 o  105.783   10.177   28.220   6.7432   28.220   6.7432   28.220   6.7432  105.783   14.393  105.783   14.393 -0.000000 0.000000 
1 1 1   17    0   40 o   70.776   13.819   14.560   5.5905   14.560   5.5905   14.560   5.5905   70.776   19.543   70.776   19.543 -0.000000 0.000000 
1 1 1   17    0   41 o   81.451   18.826   21.178   8.9781   21.178   8.9781   21.178   8.9781   81.451   26.623   81.451   26.623 -0.000000 0.000000 
1 1 1   17    0   42 o   57.118   21.142   13.029   10.497   13.029   10.497   13.029   10.497   57.118   29.900   57.118   29.900 -0.000000 0.000000 
1 1 1   17    0   44 o   67.706   23.038   18.644   11.935   18.644   11.935   18.644   11.935   67.706   32.581   67.706   32.581 -0.000000 0.000000 
1 1 1   17    0   45 o   74.778   26.002   24.944   15.323   24.944   15.323   24.944   15.323   74.778   36.772   74.778   36.772 -0.000000 0.000000 
1 1 1   17    0   46 o   35.078   16.910  -3.7266   12.111  -3.7266   12.111  -3.7266   12.111   35.078   23.914   35.078   23.914 -0.000000 0.000000 
1 1 1   17    0   47 o   58.464   19.288   13.375   8.3028   13.375   8.3028   13.375   8.3028   58.464   27.278   58.464   27.278 -0.000000 0.000000 
1 1 1   17    0   48 o   79.192   16.004   19.447   7.2605   19.447   7.2605   19.447   7.2605   79.192   22.633   79.192   22.633 -0.000000 0.000000 
1 1 1   17    0   49 o   64.158   17.089   14.540   6.7811   14.540   6.7811   14.540   6.7811   64.158   24.168   64.158   24.168 -0.000000 0.000000 
1 1 1   17    0   50 o   35.863   15.238   4.5436   6.5127   4.5436   6.5127   4.5436   6.5127   35.863   21.549   35.863   21.549 -0.000000 0.000000 
1 1 1   17    0   51 o   32.726   14.132   3.3957   5.7951   3.3957   5.7951   3.3957   5.7951   32.726   19.985   32.726   19.985 -0.000000 0.000000 
1 1 1   17    0   52 o   31.144   14.319   1.4634   7.0843   1.4634   7.0843   1.4634   7.0843   31.144   20.250   31.144   20.250 -0.000000 0.000000 
1 1 1   17    0   53 o   35.906   14.735   5.1933   5.7253   5.1933   5.7253   5.1933   5.7253   35.906   20.838   35.906   20.838 -0.000000 0.000000 
1 1 1   17    1    0 o   47.812   12.472   7.2328   3.6503   7.2328   3.6503   7.2328   3.6503   47.812   17.638   47.812   17.638 -0.000000 0.000000 
1 1 1   17    1    1 o   65.615   7.8380   10.387   2.3437   9.5636   3.3372   11.188   3.2923   62.464   11.866   68.767   10.244 -6.303333 15.67595 
1 1 1   17    1    2 o   87.711   7.0722   18.213   2.8951   18.736   4.0310   17.655   4.1608   89.046   9.6861   86.376   10.307 2.670425 14.14430 
1 1 1   17    1    3 o   80.107   8.1837   15.808   2.9066   12.532   4.2704   18.636   3.9673   71.398   13.287   88.817   9.5578 -17.41978 16.36749 
1 1 1   17    1    4 o  150.579   8.1370   53.278   5.6878   62.763   8.4992   45.585   7.6544  162.658   11.180  138.500   11.826 24.15819 16.27408 
1 1 1   17    1    5 o  281.870   13.223  193.693   17.397  182.108   24.515  205.444   24.691  273.056   19.210  290.684   18.175 -17.62805 26.44545 
1 1 1   17    1    6 o  239.128   11.659  138.176   13.006  128.166   18.297  148.402   18.492  230.117   17.013  248.139   15.946 -18.02234 23.31753 
1 1 1   17    1    7 o  172.187   10.551   71.859   8.2985   74.716   10.798   67.737   12.970  176.949   13.057  167.424   16.576 9.525558 21.10117 
1 1 1   17    1    8 o  140.088   8.9908   47.807   5.5721   50.308   6.9625   43.352   9.2928  145.785   10.219  134.391   14.796 11.39386 17.98170 
1 1 1   17    1    9 f  137.555   8.3163   45.273   5.3020   39.211   7.5720   51.104   7.4265  128.283   12.630  146.828   10.823 -18.54442 16.63258 
1 1 1   17    1   10 o  225.030   10.089  120.473   10.518  126.948   16.130  115.682   13.874  229.970   15.007  220.091   13.488 9.879257 20.17821 
1 1 1   17    1   11 o  144.345   7.9330   48.967   5.3020   52.578   8.1762   46.347   6.9649  148.791   11.758  139.899   10.653 8.891998 15.86598 
1 1 1   17    1   12 o  193.846   10.037   89.858   9.0923   91.531   12.948   88.229   12.771  195.637   14.161  192.055   14.228 3.581467 20.07453 
1 1 1   17    1   13 o  174.086   9.4407   72.519   7.5950   86.382   10.897   59.421   10.592  190.604   12.232  157.568   14.383 33.03651 18.88149 
1 1 1   17    1   14 o  281.803   15.418  194.955   19.973  189.604   25.880  202.837   31.409  278.322   19.896  285.285   23.558 -6.962830 30.83549 
1 1 1   17    1   15 o  113.862   10.076   30.869   5.3293   29.387   7.0915   32.792   8.0782  110.850   13.689  116.872   14.790 -6.022087 20.15220 
1 1 1   17    1   16 o  146.908   8.7043   51.434   5.9756   52.442   8.4937   50.447   8.4084  148.346   12.251  145.470   12.368 2.876190 17.40854 
1 1 1   17    1   17 o  230.576   13.718  132.557   14.346  121.700   22.611  139.872   18.560  220.998   21.892  240.154   16.537 -19.15614 27.43567 
1 1 1   17    1   18 o  290.037   13.920  207.724   18.866  211.962   26.687  203.491   26.673  293.157   19.478  286.916   19.892 6.240997 27.84062 
1 1 1   17    1   19 o  275.225   15.324  191.150   19.180  197.618   24.774  181.474   30.302  283.414   18.704  267.035   24.280 16.37848 30.64897 
1 1 1   17    1   20 o  352.349   20.093  328.773   32.101  341.805   41.472  309.296   50.700  366.431   24.217  338.267   32.070 28.16379 40.18674 
1 1 1   17    1   21 o  153.111   10.152   57.162   7.0834   52.938   11.079   60.082   9.2124  147.695   16.050  158.526   12.435 -10.83118 20.30342 
1 1 1   17    1   22 o   57.082   11.002   8.1594   3.0336   7.0320   4.3473   9.2293   4.2351   53.487   16.085   60.677   15.016 -7.189945 22.00435 
1 1 1   17    1   23 o   90.772   9.2121   19.737   3.9078   19.865   5.5631   19.612   5.4905   91.056   13.073   90.488   12.983 0.5679779 18.42425 
1 1 1   17    1   24 o  164.930   14.720   63.129   10.893   85.210   18.943   52.222   13.314  184.456   21.975  145.404   19.592 39.05228 29.44054 
1 1 1   17    1   25 o   88.193   15.129   19.812   5.0849   18.740   12.288   20.034   5.5856   84.930   27.290   91.455   13.068 -6.524841 30.25778 
1 1 1   17    1   26 o  114.938   17.628   35.050   9.0608   31.043   14.983   37.360   11.377  106.891   29.176  122.986   19.794 -16.09558 35.25646 
1 1 1   17    1   27 o  249.470   27.009  179.898   30.355  155.365   43.241  203.738   42.624  226.663   42.378  272.277   33.497 -45.61424 54.01746 
1 1 1   17    1   28 o   70.850   15.925   12.607   5.3887   12.877   6.1307   11.689   11.300   70.828   18.367   70.872   26.021 -0.4407501E-01 31.84986 
1 1 1   17    1   29 o  295.711   18.236  228.710   25.189  219.534   35.399  238.122   35.851  289.210   26.190  302.212   25.383 -13.00229 36.47235 
1 1 1   17    1   30 o  195.051   11.456   94.774   10.017  100.782   12.777   85.191   16.137  204.577   13.364  185.526   18.611 19.05087 22.91225 
1 1 1   17    1   31 o  316.885   17.421  263.002   25.003  244.366   39.483  275.479   32.306  303.062   27.876  330.708   20.902 -27.64594 34.84240 
1 1 1   17    1   32 o  169.181   9.6916   69.333   7.6617   67.765   10.754   70.949   10.918  167.215   13.762  171.148   13.650 -3.932419 19.38310 
1 1 1   17    1   33 o   94.462   9.5762   21.684   4.2192   22.745   5.8966   20.571   6.0398   96.969   13.012   91.956   14.054 5.012520 19.15240 
1 1 1   17    1   34 o  112.259   9.2429   30.817   4.7965   34.884   6.6678   26.456   6.9049  120.363   11.853  104.155   14.185 16.20737 18.48570 
1 1 1   17    1   35 o  165.262   9.3982   66.647   7.2212   72.626   10.080   60.341   10.350  173.301   12.445  157.223   14.086 16.07863 18.79644 
1 1 1   17    1   36 o  125.674   9.5163   38.612   5.3721   26.057   7.3352   53.136   7.8896  102.803   15.267  148.545   11.365 -45.74218 19.03268 
1 1 1   17    1   37 o   87.584   10.858   19.744   4.2338   23.138   5.7340   15.675   6.2779   97.603   12.571   77.564   17.708 20.03873 21.71625 
1 1 1   17    1   38 o   91.550   10.687   21.282   4.3902   23.271   5.9196   18.850   6.5446   97.679   12.967   85.422   16.991 12.25701 21.37429 
1 1 1   17    1   39 o   65.287   12.568   7.2532   3.9385   2.5294   4.5438   21.522   7.8972   40.436   16.073   90.138   19.327 -49.70255 25.13690 
1 1 1   17    1   40 o   48.140   13.205   4.2543   3.7636   3.9319   4.3118   5.2859   7.7128   43.298   16.042   52.982   20.978 -9.684357 26.40912 
1 1 1   17    1   41 o   62.553   15.671   7.1901   6.0912   18.639   10.048   0.5382   7.6590   80.280   24.524   44.825   19.519 35.45449 31.34288 
1 1 1   17    1   42 o   68.636   18.068   12.125   7.7798   8.7207   10.398   16.455   11.726   61.814   24.395   75.457   26.659 -13.64291 36.13584 
1 1 1   17    1   43 o   44.977   20.621  -3.7155   9.8202  -3.7155   9.8202   0.0000   0.0000   44.977   20.621  ?   ?       ?      ? 
1 1 1   17    1   44 o   65.604   18.576   10.692   9.0881  -2.0830   17.400   15.485   10.657   58.613   27.081   72.595   25.434 -13.98158 37.15240 
1 1 1   17    1   45 o  101.361   15.972   30.079   7.2456   31.442   11.551   29.195   9.3034  101.199   24.651  101.522   20.317 -0.3228836 31.94492 
1 1 1   17    1   46 o   86.088   19.644   24.504   8.4457   23.744   18.398   24.707   9.5065   80.747   32.264   91.428   22.420 -10.68114 39.28846 
1 1 1   17    1   47 o   76.674   16.238   17.757   6.2860   19.105   8.9599   16.450   8.8213   79.570   22.875   73.778   23.052 5.791588 32.47531 
1 1 1   17    1   48 o   59.382   15.105   10.455   5.4070   11.859   7.1653   8.5973   8.2403   62.753   20.882   56.011   21.832 6.742355 30.21094 
1 1 1   17    1   49 o   47.917   13.752   4.9589   4.5944   4.0458   5.6463   6.7484   7.9042   43.998   17.769   51.837   20.993 -7.838608 27.50353 
1 1 1   17    1   50 o   57.960   12.711   6.7070   4.5126  -1.0787   5.6869   19.943   7.4150   35.142   15.951   80.777   19.796 -45.63501 25.42274 
1 1 1   17    1   51 o   58.741   14.623   10.664   4.8688   10.139   6.1010   11.587   8.0794   57.644   19.271   59.838   21.998 -2.194294 29.24521 
1 1 1   17    1   52 o   61.773   13.332   11.331   4.4880   6.2404   6.0276   17.665   6.7234   47.912   18.673   75.635   19.035 -27.72352 26.66474 
1 1 1   17    1   53 o   45.860   12.496   3.5025   4.1035  -1.6850   5.2249   11.853   6.6291   32.216   14.869   59.504   20.087 -27.28713 24.99186 
1 1 1   17    2    0 o  292.919   11.865  205.819   22.799  205.819   22.799  205.819   22.799  292.919   16.780  292.919   16.780 -0.000000 0.000000 
1 1 1   17    2    1 o  258.131   12.542  161.704   15.118  168.541   21.355  154.834   21.406  263.824   17.320  252.439   18.144 11.38510 25.08351 
1 1 1   17    2    2 o  227.272   10.352  123.225   10.913  128.732   16.616  119.047   14.472  231.424   15.363  223.120   13.879 8.304398 20.70362 
1 1 1   17    2    3 o  111.854   8.0364   29.735   4.1630   24.778   5.7878   35.048   5.9923  102.061   12.134  121.647   10.540 -19.58554 16.07279 
1 1 1   17    2    4 o  129.647   8.1700   40.180   4.8817   32.338   6.8491   48.276   6.9597  116.511   12.578  142.783   10.430 -26.27188 16.33991 
1 1 1   17    2    5 f  189.323   9.0568   84.305   7.9564   75.679   10.520   95.831   12.161  178.213   12.631  200.432   12.983 -22.21869 18.11364 
1 1 1   17    2    6 o  157.664   8.2147   58.720   6.0041   56.512   7.9388   61.669   9.1772  154.356   11.005  160.972   12.199 -6.616241 16.42932 
1 1 1   17    2    7 o  170.467   8.0196   68.985   6.3887   69.440   9.0908   68.540   8.9802  171.015   11.374  169.919   11.308 1.095871 16.03917 
1 1 1   17    2    8 o  263.535   11.405  167.972   13.886  170.839   18.413  164.190   21.145  266.815   14.766  260.255   17.384 6.559509 22.80903 
1 1 1   17    2    9 o  132.094   7.9994   41.116   4.9180   38.253   6.5982   44.696   7.3769  126.991   11.118  137.197   11.505 -10.20579 15.99889 
1 1 1   17    2   10 o  188.956   9.6682   85.292   8.5377   85.313   12.112   85.271   12.036  188.967   13.715  188.946   13.630 0.2157593E-01 19.33633 
1 1 1   17    2   11 o  137.727   8.3243   45.020   5.3453   49.343   7.6710   40.940   7.4526  144.222   11.381  131.233   12.151 12.98900 16.64867 
1 1 1   17    2   12 f  223.651   12.543  120.067   12.877  127.059   20.433  115.460   16.586  228.349   19.146  218.953   16.208 9.395615 25.08558 
1 1 1   17    2   13 o  334.686   18.717  288.868   28.235  310.607   36.521  256.567   44.518  354.574   22.039  314.799   30.259 39.77496 37.43439 
1 1 1   17    2   14 o  230.800   17.071  137.496   15.562  141.949   18.011  124.377   30.915  242.765   15.875  218.835   30.228 23.92969 34.14276 
1 1 1   17    2   15 o  266.749   14.214  175.300   17.588  150.641   24.699  200.663   25.050  246.781   21.416  286.716   18.694 -39.93419 28.42719 
1 1 1   17    2   16 o  143.678   9.8728   49.430   6.4702   49.175   8.2900   49.828   10.349  143.601   12.353  143.754   15.405 -0.1523743 19.74566 
1 1 1   17    2   17 o  185.881   9.5097   82.785   8.2607   83.820   11.767   81.779   11.600  187.022   13.463  184.741   13.435 2.280533 19.01945 
1 1 1   17    2   18 o  333.014   19.668  288.890   30.536  312.180   43.437  266.134   42.936  347.587   26.740  318.441   28.851 29.14621 39.33646 
1 1 1   17    2   19 o  187.180   12.762   85.613   11.143   92.636   16.311   79.465   15.260  194.400   17.953  179.960   18.144 14.43973 25.52471 
1 1 1   17    2   20 o  199.401   12.275   98.440   11.020   91.805   17.784  102.575   14.040  192.584   19.759  206.218   14.568 -13.63417 24.54915 
1 1 1   17    2   21 o  133.521   8.6811   42.837   5.3724   48.759   7.5697   36.827   7.6261  143.093   11.319  123.949   13.165 19.14396 17.36213 
1 1 1   17    2   22 o   84.184   13.705   14.987   4.6254   25.453   9.9027   12.066   5.2311   99.197   21.942   69.172   16.426 30.02504 27.40952 
1 1 1   17    2   23 o   98.957   16.103   25.134   7.0473   26.659   11.893   24.308   8.7488  100.274   25.361   97.639   19.849 2.635338 32.20505 
1 1 1   17    2   24 f  111.038   13.076   26.462   5.4034   38.796   12.567   23.665   5.9848  122.658   22.761   99.418   12.881 23.23985 26.15289 
1 1 1   17    2   25 o   59.113   14.043   8.7647   4.6576  -0.7126   10.268   11.220   5.2263   51.551   22.519   66.674   16.784 -15.12330 28.08573 
1 1 1   17    2   26 o  143.003   10.775   49.927   7.0490   52.330   9.2267   46.559   10.925  147.722   13.365  138.283   16.904 9.439255 21.54916 
1 1 1   17    2   27 o   59.369   13.993   8.3452   4.8194   3.5783   7.4636   11.754   6.3117   50.820   20.463   67.918   19.090 -17.09796 27.98528 
1 1 1   17    2   28 o   59.820   12.088   9.1592   3.5974   10.710   4.7776   7.1285   5.4669   65.001   15.866   54.640   18.243 10.36161 24.17696 
1 1 1   17    2   29 o  137.374   10.650   47.070   6.6282   39.046   10.097   53.146   8.7866  126.028   17.143  148.720   12.642 -22.69164 21.29981 
1 1 1   17    2   30 o  205.636   13.936  105.357   13.386  104.801   18.615  105.953   19.263  205.270   19.405  206.002   20.008 -0.7321320 27.87255 
1 1 1   17    2   31 o  185.408   10.476   81.579   8.8411   75.409   11.131   92.123   14.551  176.748   13.476  194.067   16.044 -17.31934 20.95215 
1 1 1   17    2   32 o   84.132   12.624   17.538   4.5044   17.021   5.3418   18.812   8.3796   83.811   13.638   84.452   21.249 -0.6410217 25.24878 
1 1 1   17    2   33 o   90.819   9.8859   20.033   4.1708   19.797   5.5893   20.331   6.2653   90.401   13.230   91.236   14.694 -0.8353500 19.77182 
1 1 1   17    2   34 o   87.034   10.379   18.646   3.9179   8.6321   5.1710   32.141   6.0029   58.333   17.543  115.735   11.098 -57.40198 20.75840 
1 1 1   17    2   35 o  268.223   13.660  182.572   17.050  163.783   24.010  201.689   24.217  253.200   20.290  283.246   18.294 -30.04552 27.31954 
1 1 1   17    2   36 o   89.764   13.308   21.297   5.1359   22.279   6.2170   19.184   9.1140   95.460   13.935   84.067   22.676 11.39318 26.61590 
1 1 1   17    2   37 o  133.212   10.133   41.027   6.0851   34.285   7.4916   54.100   10.432  118.435   13.535  147.989   15.084 -29.55359 20.26615 
1 1 1   17    2   38 o   54.719   13.298   5.0311   3.6967   2.6972   4.2104   12.883   7.7226   39.941   15.595   69.497   21.544 -29.55656 26.59651 
1 1 1   17    2   39 o  158.298   10.868   61.497   7.7406   59.317   9.6571   65.414   12.946  155.639   13.276  160.957   17.210 -5.318192 21.73586 
1 1 1   17    2   40 o  119.206   10.096   35.230   5.4126   24.047   7.3820   48.233   7.9599   97.752   16.159  140.661   12.108 -42.90972 20.19200 
1 1 1   17    2   41 o   63.001   13.150   10.216   4.0616   12.883   6.5819   8.5760   5.1616   68.808   19.549   57.195   17.594 11.61313 26.30066 
1 1 1   17    2   42 o   80.281   19.612   17.565   7.2953   17.565   7.2953   0.0000   0.0000   80.281   19.612  ?   ?       ?      ? 
1 1 1   17    2   43 o  179.230   15.120   80.958   12.665   80.958   12.665   0.0000   0.0000  179.230   15.120  ?   ?       ?      ? 
1 1 1   17    2   44 o  107.954   20.203   37.688   10.587   29.721   15.182   45.230   14.772   94.064   30.345  121.843   26.680 -27.77856 40.40638 
1 1 1   17    2   45 o  108.669   13.616   32.716   6.6511   25.216   9.2441   40.767   9.5769   92.862   21.692  124.475   16.463 -31.61324 27.23178 
1 1 1   17    2   46 o   70.360   13.475   14.190   4.6134   16.439   6.1448   11.284   6.9844   77.583   17.379   63.137   20.598 14.44607 26.95000 
1 1 1   17    2   47 o  109.779   13.108   34.093   6.2385   38.359   8.0929   27.845   9.7934  122.404   14.147   97.154   22.071 25.25054 26.21598 
1 1 1   17    2   48 o   39.655   12.639  -2.6965   5.1370   3.9675   7.6496  -8.1698   6.9327   47.458   20.055   31.853   15.388 15.60481 25.27830 
1 1 1   17    2   49 o   64.527   15.670   13.274   5.8279   10.347   8.3882   16.006   8.1030   58.466   22.222   70.587   22.099 -12.12032 31.34043 
1 1 1   17    2   50 o   53.313   14.128   6.1032   5.4478  -1.9773   7.4756   15.255   7.9556   38.495   17.774   68.131   21.965 -29.63511 28.25542 
1 1 1   17    2   51 o   63.683   14.595   11.476   4.9877   6.9664   6.2133   19.648   8.3639   50.116   19.107   77.250   22.068 -27.13435 29.19077 
1 1 1   17    2   52 o   48.354   13.719   6.2579   4.6685   6.3121   5.9875   6.1737   7.4559   47.926   18.629   48.782   20.145 -0.8557281 27.43863 
1 1 1   17    2   53 o   51.716   13.840   8.5481   4.7711   10.443   5.8957   4.9533   8.1216   56.886   18.943   46.545   20.183 10.34171 27.67993 
1 1 1   17    3    0 o   55.190   13.600   9.4364   4.4848   9.4364   4.4848   9.4364   4.4848   55.190   19.233   55.190   19.233 -0.000000 0.000000 
1 1 1   17    3    1 o  109.240   8.9542   29.041   4.4135   31.181   5.6884   25.802   6.9960  114.722   10.610  103.758   14.427 10.96430 17.90835 
1 1 1   17    3    2 o  115.516   8.8130   30.912   4.6819   24.603   6.1130   39.863   7.2815  101.574   12.878  129.458   12.035 -27.88403 17.62601 
1 1 1   17    3    3 o  133.631   9.0696   43.337   5.3151   44.935   6.5536   40.266   9.0856  137.789   10.177  129.472   15.015 8.317398 18.13918 
1 1 1   17    3    4 o   77.565   7.7184   14.131   2.7823   13.021   3.7030   15.570   4.2163   74.124   10.689   81.006   11.137 -6.881355 15.43682 
1 1 1   17    3    5 o  143.610   7.3824   48.917   4.9324   43.231   6.9178   54.795   7.0347  135.012   10.964  152.209   9.8892 -17.19742 14.76479 
1 1 1   17    3    6 f  145.685   7.5297   50.336   5.1216   52.556   7.2131   48.078   7.2732  148.982   10.360  142.387   10.930 6.594452 15.05932 
1 1 1   17    3    7 o  224.283   9.4120  120.186   9.8561  126.045   13.934  114.319   13.944  229.879   12.969  218.688   13.643 11.19043 18.82393 
1 1 1   17    3    8 o  137.755   7.3614   44.991   4.7298   41.839   6.6992   48.124   6.6787  132.871   10.788  142.638   10.019 -9.767227 14.72278 
1 1 1   17    3    9 o  216.470   12.383  118.305   11.493  127.526   14.100  100.047   19.841  231.278   13.045  201.662   21.052 29.61658 24.76559 
1 1 1   17    3   10 o  187.865   10.059   82.556   8.4327   78.374   10.364   90.746   14.506  181.556   12.214  194.174   15.985 -12.61787 20.11704 
1 1 1   17    3   11 o   99.413   12.656   25.740   5.4322   29.790   6.9471   19.367   8.7145  111.761   13.301   87.066   21.536 24.69474 25.31212 
1 1 1   17    3   12 o  168.324   16.315   69.578   12.750   81.592   19.092   59.907   17.129  181.539   22.503  155.109   23.630 26.42993 32.63050 
1 1 1   17    3   13 o  261.905   22.717  170.272   27.806   0.0000   0.0000  170.272   27.806  ?   ?   261.905   22.717      ?      ? 
1 1 1   17    3   14 o  129.578   14.244   42.925   6.8738   39.662   14.322   43.902   7.8351  123.382   25.673  135.774   12.348 -12.39241 28.48840 
1 1 1   17    3   15 o  108.057   9.7349   26.325   4.7062   33.820   8.2342   22.689   5.7352  118.590   14.857   97.524   12.583 21.06676 19.46979 
1 1 1   17    3   16 o  183.453   12.285   81.435   10.499   90.649   15.502   73.626   14.270  193.065   17.180  173.841   17.564 19.22325 24.56942 
1 1 1   17    3   17 o  113.605   11.587   30.159   6.0320   38.096   9.7531   25.242   7.6761  125.180   16.671  102.030   16.098 23.14999 23.17477 
1 1 1   17    3   18 o  105.731   11.016   25.707   5.0563   30.858   9.3443   23.575   6.0126  112.267   17.810   99.195   12.970 13.07191 22.03179 
1 1 1   17    3   19 o  193.653   14.992   89.183   11.216  101.964   24.457   85.779   12.622  198.637   26.345  188.669   14.315 9.968475 29.98307 
1 1 1   17    3   20 o  239.628   13.120  138.279   14.408  155.629   23.214  127.407   18.376  250.784   19.807  228.472   17.210 22.31180 26.23927 
1 1 1   17    3   21 o  135.421   11.462   43.691   7.1791   50.638   11.173   38.805   9.3694  144.305   16.566  126.535   15.844 17.76995 22.92312 
1 1 1   17    3   22 o   75.247   14.938   13.742   4.5264   14.724   11.002   13.542   4.9663   76.802   25.878   73.691   14.932 3.111107 29.87659 
1 1 1   17    3   23 o   56.456   15.656   5.0463   5.5749   7.3248   10.322   4.1079   6.6241   62.920   24.459   49.992   19.550 12.92803 31.31221 
1 1 1   17    3   24 o   66.635   14.055   12.330   5.2630  -1.6926   10.835   16.661   6.0210   51.747   22.850   81.522   16.372 -29.77524 28.11001 
1 1 1   17    3   25 o  112.448   11.038   30.331   5.7475   36.617   8.5222   25.086   7.7842  123.241   14.796  101.656   16.385 21.58535 22.07682 
1 1 1   17    3   26 o   47.823   12.741   4.3343   3.8347   4.1775   6.0109   4.4418   4.9797   48.693   18.738   46.952   17.268 1.741123 25.48190 
1 1 1   17    3   27 o   53.791   12.807   6.7925   4.0486   2.1979   6.6202   9.5374   5.1170   46.163   19.014   61.419   17.163 -15.25567 25.61469 
1 1 1   17    3   28 o  158.220   16.878   69.551   10.664   53.655   18.853   77.030   12.931  138.756   29.950  177.685   15.572 -38.92900 33.75621 
1 1 1   17    3   29 o  173.921   11.290   73.790   9.0652   73.889   13.929   73.716   11.940  173.441   17.185  174.402   14.649 -0.9611359 22.58076 
1 1 1   17    3   30 o  150.920   10.110   55.742   6.9940   51.211   10.719   59.101   9.2294  144.937   15.824  156.902   12.586 -11.96484 20.21962 
1 1 1   17    3   31 o  195.298   12.011   93.706   10.946   89.044   14.990   99.032   16.022  190.180   16.865  200.417   17.106 -10.23608 24.02187 
1 1 1   17    3   32 o   69.474   12.947   13.279   4.1261   14.908   4.8455   8.9810   7.8701   77.316   13.922   61.631   21.833 15.68467 25.89397 
1 1 1   17    3   33 o  104.921   11.171   25.348   5.1914   22.002   6.2552   32.754   9.3057   95.055   14.081  114.786   17.347 -19.73073 22.34209 
1 1 1   17    3   34 o  150.814   11.141   58.106   7.3231   62.959   9.1356   49.383   12.249  161.558   12.099  140.070   18.711 21.48743 22.28222 
1 1 1   17    3   35 o  144.309   9.8959   46.288   6.3672   34.790   7.7609   69.961   11.136  119.395   13.909  169.222   14.081 -49.82695 19.79181 
1 1 1   17    3   36 o  109.219   9.5241   29.281   4.8208   31.018   6.5496   27.229   7.1214  113.129   12.388  105.308   14.470 7.820343 19.04816 
1 1 1   17    3   37 o   37.605   11.114   0.0827   3.4676  -3.3871   4.8802   3.6210   4.9281   31.091   14.357   44.120   16.970 -13.02925 22.22847 
1 1 1   17    3   38 o   54.060   11.870   6.7882   3.7888   12.004   5.2193   0.9770   5.5089   67.983   16.577   40.137   16.994 27.84579 23.73950 
1 1 1   17    3   39 o  101.364   8.6199   24.687   3.9799   23.667   5.0475   26.363   6.4708   99.029   10.906  103.700   13.352 -4.670677 17.23987 
1 1 1   17    3   40 o   46.194   11.578   4.0140   3.0844   2.0068   3.7938   7.9274   5.2974   36.753   14.662   55.636   17.922 -18.88235 23.15562 
1 1 1   17    3   41 o  112.181   12.955   33.653   6.4628   26.913   9.4056   39.681   8.8954   98.847   21.008  125.514   15.165 -26.66724 25.90916 
1 1 1   17    3   42 o   53.572   14.771   3.8448   4.4966   1.7425   5.0362   12.109   9.9854   39.813   16.508   67.332   24.500 -27.51884 29.54266 
1 1 1   17    3   43 o   65.146   18.650   11.482   5.9672   11.482   5.9672   0.0000   0.0000   65.146   18.650  ?   ?       ?      ? 
1 1 1   17    3   44 o   54.263   15.224   5.0784   5.2143   2.8220   6.0900   11.277   10.093   44.107   18.210   64.420   24.403 -20.31287 30.44831 
1 1 1   17    3   45 o   57.485   13.424   8.5325   4.6841   14.135   6.4702   2.3622   6.7901   70.588   19.134   44.383   18.833 26.20503 26.84735 
1 1 1   17    3   46 o   84.725   14.874   19.700   5.4978   18.009   6.5631   23.679   10.067   81.068   17.809   88.382   23.828 -7.313736 29.74841 
1 1 1   17    3   47 o   61.715   12.641   9.1342   4.4091   2.1547   5.7890   18.776   6.8042   41.554   17.497   81.875   18.248 -40.32125 25.28138 
1 1 1   17    3   48 o   69.099   15.358   14.604   5.6554   19.514   8.4010   10.535   7.6478   78.874   21.973   59.325   21.463 19.54981 30.71669 
1 1 1   17    3   49 o   70.225   15.193   15.471   5.2966   15.077   6.5000   16.250   9.1377   70.887   19.162   69.563   23.583 1.324226 30.38695 
1 1 1   17    3   50 o   80.767   14.604   21.071   6.0213   30.217   8.4794   11.768   8.5518  101.372   18.583   60.162   22.533 41.20938 29.20705 
1 1 1   17    3   51 f   57.567   14.513   8.6747   5.4973   17.719   8.2293   1.3862   7.3874   72.968   22.172   42.166   18.731 30.80147 29.02522 
1 1 1   17    3   52 o   88.826   14.108   24.279   5.6393   20.985   7.2743   29.241   8.9279   81.952   19.310   95.699   20.574 -13.74699 28.21582 
1 1 1   17    4    0 o  228.318   11.451  125.582   17.080  125.582   17.080  125.582   17.080  228.318   16.194  228.318   16.194 -0.000000 0.000000 
1 1 1   17    4    1 o  162.889   8.8323   63.234   6.7197   65.369   9.4729   61.072   9.5336  165.721   12.231  160.056   12.745 5.664978 17.66451 
1 1 1   17    4    2 o   99.532   8.9881   23.412   4.1276   22.412   5.3752   24.850   6.4436   97.092   11.846  101.971   13.521 -4.878517 17.97629 
1 1 1   17    4    3 o  155.989   9.0434   58.060   6.5810   53.934   9.2798   62.234   9.3342  150.306   13.211  161.672   12.354 -11.36592 18.08687 
1 1 1   17    4    4 o  262.293   12.292  166.931   15.040  155.219   21.238  178.713   21.301  252.724   17.982  271.862   16.765 -19.13754 24.58497 
1 1 1   17    4    5 o  115.925   7.4029   31.040   3.9602   25.936   5.1657   38.317   6.1678  104.636   10.563  127.214   10.374 -22.57748 14.80573 
1 1 1   17    4    6 o  151.186   9.3140   53.710   6.1573   52.231   7.4452   56.912   10.953  148.468   10.730  153.903   15.227 -5.434723 18.62810 
1 1 1   17    4    7 f  314.731   16.630  245.226   24.002  238.710   30.950  255.057   38.016  311.296   21.274  318.166   25.567 -6.870209 33.26017 
1 1 1   17    4    8 o  210.806   11.924  106.941   11.498  105.452   14.781  109.224   18.298  209.637   15.087  211.975   18.470 -2.338120 23.84865 
1 1 1   17    4    9 o  201.051   11.508   97.792   10.540   99.346   13.554   95.414   16.764  203.791   14.231  198.311   18.088 5.480438 23.01501 
1 1 1   17    4   10 o  209.447   10.608  105.199   10.383  106.062   14.729  104.346   14.640  210.307   14.985  208.587   15.018 1.719986 21.21563 
1 1 1   17    4   11 o  170.152   12.604   66.340   8.9254   62.049   10.335   78.930   17.704  161.175   13.720  179.128   21.148 -17.95288 25.20871 
1 1 1   17    4   12 o  260.500   19.963  176.426   22.649  165.136   38.889  182.221   27.862  249.567   33.342  271.434   21.964 -21.86621 39.92653 
1 1 1   17    4   13 o  190.029   10.991   88.196   9.4956   80.787   14.894   93.270   12.325  182.472   17.465  197.587   13.347 -15.11465 21.98164 
1 1 1   17    4   14 o  104.831   12.205   26.635   5.2211   26.062   6.1406   28.132   9.9192  104.528   12.570  105.135   20.924 -0.6070557 24.40909 
1 1 1   17    4   15 o  115.326   9.5436   31.838   5.0602   31.756   6.5910   31.956   7.8974  115.398   12.221  115.253   14.662 0.1445160 19.08726 
1 1 1   17    4   16 o  138.804   8.8653   46.326   5.6942   39.057   8.0607   53.566   8.0450  127.618   13.515  149.990   11.477 -22.37276 17.73057 
1 1 1   17    4   17 o  157.947   9.0610   59.766   6.6825   57.054   9.4671   62.460   9.4340  154.279   13.130  161.615   12.490 -7.336227 18.12198 
1 1 1   17    4   18 o   83.671   12.670   16.873   4.5086   20.214   8.2117   15.431   5.3943   88.675   20.258   78.666   15.223 10.00895 25.34040 
1 1 1   17    4   19 o  168.356   12.869   61.163   8.6133   86.786   18.932   54.475   9.6724  186.166   21.759  150.546   13.747 35.61937 25.73835 
1 1 1   17    4   20 o  239.824   16.832  142.280   16.012  152.266   33.037  139.215   18.306  240.281   29.420  239.366   16.364 0.9156189 33.66457 
1 1 1   17    4   21 o  223.730   18.898  133.901   17.926  115.480   31.334  142.863   21.856  206.824   32.417  240.636   19.435 -33.81126 37.79630 
1 1 1   17    4   22 o   87.774   14.091   17.903   4.7462   16.901   5.2772   22.142   10.856   83.923   13.455   91.625   24.763 -7.701576 28.18198 
1 1 1   17    4   23 o  132.939   10.606   42.658   6.5876   42.047   9.1788   43.307   9.4601  131.992   14.880  133.886   15.119 -1.894760 21.21292 
1 1 1   17    4   24 f  126.000   9.3101   37.467   5.4412   32.877   7.2023   43.570   8.3051  117.148   13.155  134.853   13.178 -17.70509 18.62021 
1 1 1   17    4   25 o   85.226   14.129   20.556   4.7548   22.313   5.2840   13.077   10.901   96.757   11.685   73.695   25.729 23.06194 28.25815 
1 1 1   17    4   26 o  109.990   11.320   30.804   5.2211   32.862   6.4272   26.810   8.9529  117.313   11.723  102.667   19.369 14.64602 22.64058 
1 1 1   17    4   27 o  101.931   14.382   24.979   5.2250   24.121   5.7436   29.099   12.583  100.259   12.258  103.603   26.022 -3.343788 28.76447 
1 1 1   17    4   28 o   89.841   14.580   18.952   4.7418   18.109   5.1714   23.399   11.883   86.777   12.751   92.905   26.223 -6.127594 29.15904 
1 1 1   17    4   29 o  208.965   22.106  119.884   20.894  103.263   29.368  136.921   29.734  190.603   34.226  227.328   27.987 -36.72441 44.21198 
1 1 1   17    4   30 o   74.690   16.703   12.886   6.4490   20.793   10.858   8.5756   8.0163   88.075   25.138   61.305   22.001 26.77040 33.40599 
1 1 1   17    4   31 o   88.247   15.357   23.086   7.0077   6.6361   12.254   31.080   8.5426   64.025   26.061  112.469   16.252 -48.44399 30.71355 
1 1 1   17    4   32 o   50.432   13.934  -1.5774   4.3189   13.398   9.7327  -5.2495   4.8195   72.178   24.340   28.686   13.572 43.49178 27.86774 
1 1 1   17    4   33 o  171.733   13.296   74.278   10.646   79.447   15.013   69.049   15.099  178.247   18.022  165.219   19.554 13.02882 26.59251 
1 1 1   17    4   34 o   74.503   13.047   13.732   4.1181   12.912   4.7943   16.039   8.0420   71.407   14.850   77.599   21.456 -6.192474 26.09392 
1 1 1   17    4   35 o   85.563   12.482   21.983   4.1786   24.960   4.7817   12.362   8.5951  102.159   10.015   68.967   22.867 33.19140 24.96441 
1 1 1   17    4   36 o   93.675   9.2200   20.985   3.9950   18.775   5.2131   24.130   6.2183   87.907   12.689   99.444   13.380 -11.53796 18.44004 
1 1 1   17    4   37 o   85.350   10.158   17.968   3.9130   17.032   5.0953   19.315   6.1092   83.558   13.048   87.143   15.572 -3.584808 20.31601 
1 1 1   17    4   38 o  114.723   9.8937   32.451   5.2833   29.388   7.4948   35.476   7.4488  109.027   14.709  120.419   13.236 -11.39205 19.78739 
1 1 1   17    4   39 o   84.452   11.215   18.408   4.2708   13.291   6.0303   23.558   6.0493   70.884   18.131   98.020   13.205 -27.13575 22.42997 
1 1 1   17    4   40 o   35.335   10.634   0.2370   2.9912  -0.8543   3.7572   2.1258   4.9430   30.268   13.406   40.402   16.511 -10.13329 21.26822 
1 1 1   17    4   41 o   77.771   13.997   16.594   5.1526   13.560   7.2596   19.674   7.3145   70.112   20.717   85.430   18.828 -15.31786 27.99419 
1 1 1   17    4   42 o   84.254   17.734   16.838   7.0012   11.127   8.1584   32.792   13.637   64.521   22.273  103.987   27.602 -39.46656 35.46753 
1 1 1   17    4   43 o  111.983   17.048   42.935   8.0431   49.643   9.2642   22.400   16.208  140.732   14.086   83.235   31.051 57.49670 34.09657 
1 1 1   17    4   44 o  132.978   18.055   56.819   10.186   64.971   12.670   41.922   17.128  156.895   17.279  109.061   31.708 47.83408 36.11020 
1 1 1   17    4   45 o   96.960   13.457   25.928   5.9516   19.307   8.1455   33.512   8.7173   81.197   21.227  112.723   16.547 -31.52603 26.91452 
1 1 1   17    4   46 o  115.124   12.802   37.237   6.2861   42.656   8.1128   29.096   9.9438  130.044   13.349  100.204   21.850 29.84035 25.60458 
1 1 1   17    4   47 o  118.104   13.982   42.662   6.8551   52.306   8.8136   27.894   10.906  143.037   13.185   93.172   24.661 49.86497 27.96427 
1 1 1   17    4   48 o   67.017   14.226   13.937   4.9084   15.802   6.3464   11.162   7.7431   73.568   18.482   60.467   21.631 13.10123 28.45145 
1 1 1   17    4   49 f   70.991   15.429   15.071   5.3077   12.578   6.3978   20.575   9.5061   64.207   19.559   77.775   23.869 -13.56825 30.85892 
1 1 1   17    4   50 o   67.769   15.066   14.949   5.3431   13.811   7.7553   15.976   7.3718   64.893   21.728   70.644   20.877 -5.750984 30.13202 
1 1 1   17    4   51 o   53.552   13.201   7.0197   4.9150   15.248   6.8176  -1.8853   7.0923   69.614   19.937   37.490   17.310 32.12432 26.40298 
1 1 1   17    4   52 f   50.383   14.574   6.9464   5.4112   10.438   8.4125   4.4819   7.0673   55.689   21.954   45.078   19.173 10.61167 29.14772 
1 1 1   17    5    0 o  171.538   8.1935   70.247   9.1921   70.247   9.1921   70.247   9.1921  171.538   11.587  171.538   11.587 -0.000000 0.000000 
1 1 1   17    5    1 o  229.906   9.6920  126.342   10.413  127.542   14.718  125.139   14.735  231.027   13.631  228.784   13.781 2.242645 19.38391 
1 1 1   17    5    2 o  203.581   8.9156   98.789   8.4745  103.208   11.949   94.316   12.021  208.266   12.276  198.896   12.933 9.369812 17.83118 
1 1 1   17    5    3 o  120.117   7.7125   33.944   4.2960   36.171   6.5720   32.283   5.6767  123.454   11.391  116.781   10.401 6.672775 15.42506 
1 1 1   17    5    4 o  112.104   8.5300   30.228   4.3996   35.781   6.1706   24.487   6.2746  122.899   10.743  101.310   13.252 21.58869 17.05996 
1 1 1   17    5    5 o  167.801   9.0773   67.153   7.1007   61.482   10.004   72.910   10.080  160.527   13.334  175.074   12.320 -14.54741 18.15465 
1 1 1   17    5    6 o  208.003   11.550  103.016   11.051  111.247   17.487   97.543   14.258  214.389   17.453  201.617   15.132 12.77164 23.09927 
1 1 1   17    5    7 o  270.564   15.656  180.984   19.761  193.624   28.020  168.478   27.872  280.466   21.377  260.661   22.880 19.80484 31.31214 
1 1 1   17    5    8 o  118.825   8.7453   33.045   4.7911   36.808   7.5527   30.511   6.1978  124.285   13.003  113.365   11.698 10.92017 17.49052 
1 1 1   17    5    9 o  131.106   8.2178   40.779   5.0314   38.609   7.0299   43.057   7.2044  127.503   11.797  134.710   11.443 -7.207298 16.43563 
1 1 1   17    5   10 o  149.080   9.5821   53.912   6.4908   49.020   10.181   57.262   8.4251  142.866   15.248  155.295   11.608 -12.42902 19.16426 
1 1 1   17    5   11 o   94.105   13.771   23.673   5.0954   25.220   5.8405   18.745   10.426  102.957   12.138   85.254   24.724 17.70287 27.54296 
1 1 1   17    5   12 o  176.228   25.522   78.616   21.020   78.616   21.020   0.0000   0.0000  176.228   25.522  ?   ?       ?      ? 
1 1 1   17    5   13 o  214.783   20.460  113.823   20.537  113.823   20.537   0.0000   0.0000  214.783   20.460  ?   ?       ?      ? 
1 1 1   17    5   14 o  167.595   11.260   68.101   8.7926   73.390   12.363   62.687   12.508  174.461   15.162  160.729   16.651 13.73251 22.52026 
1 1 1   17    5   15 o  128.575   11.644   40.064   6.9893   42.189   10.165   38.159   9.6254  131.790   16.504  125.359   16.429 6.430878 23.28775 
1 1 1   17    5   16 o  203.302   13.622  101.931   12.941  103.461   18.484  100.460   18.124  204.770   19.314  201.834   19.214 2.935776 27.24388 
1 1 1   17    5   17 o  124.261   11.880   37.614   6.8932   38.114   9.9801   37.159   9.5323  124.960   17.089  123.562   16.507 1.397995 23.75966 
1 1 1   17    5   18 o   84.295   15.375   19.374   6.1146   13.538   10.312   22.538   7.5936   73.988   25.053   94.602   17.829 -20.61461 30.74965 
1 1 1   17    5   19 f   54.009   12.672   4.8837   4.4304   12.624   6.3474  -2.4704   6.1869   70.420   18.894   37.598   16.890 32.82195 25.34315 
1 1 1   17    5   20 o   42.916   12.891  -1.4605   4.7081   4.5972   7.2453  -5.8880   6.1941   52.357   20.454   33.476   15.696 18.88104 25.78226 
1 1 1   17    5   21 o  120.878   12.418   37.120   6.6114   29.425   9.8587   43.408   8.9126  107.456   20.377  134.300   14.200 -26.84397 24.83659 
1 1 1   17    5   22 o  116.018   11.788   30.148   5.6522   27.456   6.4906   38.594   11.498  107.067   12.971  124.968   19.687 -17.90154 23.57652 
1 1 1   17    5   23 f   65.411   15.780   10.299   5.7938   11.868   7.3196   7.6657   9.4807   68.642   20.923   62.181   23.628 6.461227 31.55971 
1 1 1   17    5   24 o   71.344   13.257   8.9866   3.3881   7.2133   3.6393   20.517   9.2801   53.814   14.247   88.874   22.361 -35.06007 26.51423 
1 1 1   17    5   25 o  177.902   11.318   78.881   9.0104   85.445   11.540   68.630   14.421  188.754   13.082  167.050   18.472 21.70372 22.63501 
1 1 1   17    5   26 o   82.949   9.5458   16.499   3.5965   14.506   4.7217   19.252   5.5508   76.494   13.711   89.404   13.285 -12.90994 19.09163 
1 1 1   17    5   27 o   61.890   10.539   8.9820   2.8469   7.7021   3.4211   11.864   5.1340   55.449   13.359   68.331   16.304 -12.88177 21.07829 
1 1 1   17    5   28 o   88.263   11.224   18.130   4.4182   13.940   5.5390   25.457   7.3254   74.201   16.408  102.325   15.318 -28.12444 22.44739 
1 1 1   17    5   29 o  132.271   10.523   42.771   6.4505   46.844   8.8935   38.249   9.3699  139.354   13.656  125.189   16.015 14.16477 21.04652 
1 1 1   17    5   30 o  210.175   10.330  107.410   10.066   90.782   13.987  125.277   14.498  192.766   15.525  227.584   13.631 -34.81799 20.66012 
1 1 1   17    5   31 o  155.554   8.5380   57.138   6.1285   51.812   7.9368   65.001   9.6445  146.931   11.558  164.178   12.570 -17.24658 17.07593 
1 1 1   17    5   32 o  137.281   10.451   48.499   6.0404   52.664   7.3412   39.768   10.629  148.374   10.587  126.188   18.022 22.18570 20.90190 
1 1 1   17    5   33 o   53.238   10.727   5.1417   2.8044   2.1643   3.3071   12.764   5.2912   35.912   13.877   70.564   16.363 -34.65113 21.45471 
1 1 1   17    5   34 o  130.070   10.034   41.518   6.0717   44.363   8.4186   38.434   8.7653  135.066   13.337  125.074   14.995 9.992134 20.06818 
1 1 1   17    5   35 o   86.973   13.184   18.783   4.9501   16.779   6.0130   22.995   8.7198   80.886   16.466   93.059   20.595 -12.17276 26.36798 
1 1 1   17    5   36 o  116.233   13.793   34.942   7.3111   31.748   10.199   38.319   10.486  109.478   20.692  122.989   18.243 -13.51181 27.58562 
1 1 1   17    5   37 o   49.654   13.083   4.2234   3.3805   3.2368   3.7682   8.2916   7.6516   40.200   14.977   59.107   21.456 -18.90681 26.16595 
1 1 1   17    5   38 o   74.856   10.657   13.327   3.4603   10.923   4.2292   18.196   6.0186   65.449   14.232   84.262   15.866 -18.81303 21.31342 
1 1 1   17    5   39 o   65.958   11.430   10.718   3.4642   8.0799   4.3990   15.027   5.6210   55.900   16.016   76.016   16.310 -20.11631 22.85931 
1 1 1   17    5   40 o  116.296   14.117   36.669   7.3308   32.426   11.067   39.985   9.7853  107.514   22.736  125.078   16.740 -17.56368 28.23391 
1 1 1   17    5   41 o  125.684   10.855   38.834   6.1916   35.872   7.7625   44.014   10.266  120.125   13.827  131.243   16.737 -11.11741 21.70926 
1 1 1   17    5   42 o   93.889   11.139   22.615   4.7759   21.415   6.7911   23.788   6.7177   90.448   16.680   97.330   14.768 -6.881905 22.27852 
1 1 1   17    5   43 o  111.522   20.469   39.518   10.705   42.612   16.142   37.088   14.304  114.498   29.857  108.547   28.009 5.950546 40.93808 
1 1 1   17    5   44 o  131.891   21.981   61.478   13.572   48.853   19.958   72.338   18.510  112.052   34.618  151.729   27.098 -39.67638 43.96216 
1 1 1   17    5   45 o  120.633   18.374   43.515   9.4783   50.213   16.955   40.470   11.431  122.196   29.928  119.071   21.325 3.124542 36.74826 
1 1 1   17    5   46 o  102.023   14.658   29.222   6.8651   36.769   10.206   22.985   9.2779  116.255   18.784   87.792   22.507 28.46271 29.31572 
1 1 1   17    5   47 o   36.090   11.266  -1.3177   4.0616   3.0533   5.2351  -7.9274   6.4376   41.557   16.988   30.622   14.802 10.93491 22.53217 
1 1 1   17    5   48 o   73.191   16.235   17.646   6.2211   16.072   9.3149   18.914   8.3585   69.340   23.807   77.042   22.078 -7.701523 32.46909 
1 1 1   17    5   49 o   83.584   18.112   23.679   7.3192   30.564   13.184   20.611   8.8000   88.223   28.258   78.944   22.663 9.279182 36.22309 
1 1 1   17    5   50 o   48.762   14.951   3.4736   5.8067   9.8856   10.616   0.7366   6.9362   57.058   23.839   40.465   18.052 16.59286 29.90248 
1 1 1   17    5   51 o   41.165   12.683   0.2014   5.1266  -8.6274   7.9704   6.4316   6.6954   33.449   16.239   48.881   19.485 -15.43178 25.36509 
1 1 1   17    5   52 o   46.208   13.713   5.1298   5.0816   2.7434   7.2494   7.4352   7.1253   42.520   18.737   49.896   20.028 -7.376812 27.42654 
1 1 1   17    6    0 o  238.352   9.6106  135.460   15.027  135.460   15.027  135.460   15.027  238.352   13.591  238.352   13.591 -0.000000 0.000000 
1 1 1   17    6    1 o  188.107   8.4399   84.165   7.4072   78.837   10.497   89.449   10.454  182.065   12.337  194.149   11.521 -12.08450 16.87983 
1 1 1   17    6    2 o  204.323   8.6728   99.306   8.2780   96.194   11.730  102.392   11.684  201.071   12.483  207.576   12.044 -6.504700 17.34556 
1 1 1   17    6    3 o  108.701   7.5696   27.826   3.7982   27.029   4.9649   28.950   5.8976  106.936   9.9345  110.467   11.424 -3.530975 15.13916 
1 1 1   17    6    4 o  176.079   10.652   75.791   8.4903   81.227   10.993   67.756   13.365  184.702   12.736  167.456   17.078 17.24652 21.30361 
1 1 1   17    6    5 o  134.212   9.3953   42.317   5.8120   39.325   7.5175   46.763   9.1637  128.556   12.512  139.867   14.019 -11.31099 18.79055 
1 1 1   17    6    6 o  226.084   10.410  121.554   10.918  129.861   16.677  115.325   14.442  232.550   15.345  219.619   14.071 12.93109 20.81997 
1 1 1   17    6    7 o  289.835   14.077  208.148   17.818  197.371   30.771  213.584   21.855  281.656   23.376  298.014   15.692 -16.35797 28.15476 
1 1 1   17    6    8 o  177.100   10.652   76.477   8.5889   69.255   13.372   81.549   11.206  169.258   16.904  184.942   12.965 -15.68396 21.30381 
1 1 1   17    6    9 o  284.179   14.648  200.143   18.947  191.807   29.992  205.680   24.443  277.448   23.130  290.909   17.979 -13.46115 29.29552 
1 1 1   17    6   10 o   53.597   11.152   6.3501   2.9385   9.9766   4.9598   4.3888   3.6475   63.100   16.597   44.094   14.900 19.00602 22.30395 
1 1 1   17    6   11 o   83.498   10.144   16.768   3.7920   15.939   4.8574   18.061   6.0677   81.720   12.718   85.276   15.807 -3.556076 20.28832 
1 1 1   17    6   12 o  196.161   12.403   94.495   11.082   97.700   14.332   89.730   17.477  201.306   15.234  191.016   19.578 10.29004 24.80666 
1 1 1   17    6   13 o  166.755   10.995   67.440   8.4103   51.967   11.650   84.281   12.154  146.141   17.057  187.370   13.880 -41.22984 21.99086 
1 1 1   17    6   14 o  175.490   17.106   85.669   10.798   66.086   22.021   91.869   12.390  155.333   31.413  195.647   13.551 -40.31358 34.21141 
1 1 1   17    6   15 o   58.400   12.586   8.1270   3.6574   9.9781   5.9969   7.0308   4.6150   63.117   18.871   53.683   16.657 9.434196 25.17106 
1 1 1   17    6   16 o  177.227   10.790   75.643   8.7485   77.781   13.936   74.252   11.239  178.688   16.687  175.765   13.682 2.922943 21.57947 
1 1 1   17    6   17 o  200.959   11.798   97.844   10.840  100.696   17.297   96.000   13.910  202.551   18.273  199.367   14.929 3.184097 23.59589 
1 1 1   17    6   18 o  119.528   13.567   35.909   6.3914   35.191   12.514   36.163   7.4342  116.175   23.848  122.881   12.945 -6.706429 27.13453 
1 1 1   17    6   19 o   75.877   13.770   14.280   4.3662   15.056   9.0731   14.047   4.9808   76.611   23.282   75.143   14.709 1.467766 27.53907 
1 1 1   17    6   20 o  146.766   12.091   48.566   7.8846   66.104   14.087   40.565   9.5145  164.133   18.365  129.400   15.733 34.73280 24.18241 
1 1 1   17    6   21 o   97.712   11.671   22.887   5.0617   33.118   7.8311   15.545   6.6337  117.284   14.287   78.141   18.459 39.14265 23.34195 
1 1 1   17    6   22 o   58.853   13.135   8.3040   3.9722   9.4787   6.3241   7.5386   5.1049   62.024   19.540   55.682   17.558 6.341553 26.26974 
1 1 1   17    6   23 o  128.174   10.459   37.154   6.0681   51.771   10.169   29.071   7.5620  146.523   14.850  109.825   14.733 36.69867 20.91882 
1 1 1   17    6   24 o  143.200   11.875   50.026   7.6300   49.738   12.646   50.190   9.5680  142.033   19.051  144.367   14.181 -2.334686 23.74922 
1 1 1   17    6   25 o   90.228   13.026   19.484   5.0634   25.166   8.9279   16.790   6.1478   98.944   19.995   81.513   16.699 17.43100 26.05145 
1 1 1   17    6   26 o   95.633   13.197   23.397   5.4199   22.201   9.4282   23.987   6.6238   91.768   22.220   99.498   14.245 -7.730667 26.39425 
1 1 1   17    6   27 o  152.537   11.718   55.432   8.0900   63.191   13.537   51.121   10.090  159.938   18.111  145.137   14.875 14.80145 23.43665 
1 1 1   17    6   28 o  126.464   12.521   39.787   7.2590   36.869   11.139   41.942   9.5700  121.668   19.590  131.260   15.600 -9.592018 25.04278 
1 1 1   17    6   29 f   99.816   17.904   29.639   7.9573   16.980   17.135   33.119   8.9848   83.468   31.753  116.164   16.550 -32.69650 35.80730 
1 1 1   17    6   30 o  129.702   17.348   42.751   7.9295   47.667   18.856   41.695   8.7399  128.456   31.621  130.947   14.281 -2.491272 34.69618 
1 1 1   17    6   31 o   94.272   11.288   22.764   4.6917   15.477   6.6581   29.950   6.6121   77.194   18.661  111.349   12.706 -34.15460 22.57643 
1 1 1   17    6   32 o  122.252   10.791   37.145   5.7609   38.084   7.0662   35.282   9.9488  125.703   12.028  118.802   17.919 6.901222 21.58127 
1 1 1   17    6   33 f  157.786   10.595   63.167   7.5141   49.349   11.365   73.900   10.016  140.668   17.287  174.903   12.253 -34.23532 21.18906 
1 1 1   17    6   34 o  155.610   9.4651   58.699   6.8641   53.162   9.3809   65.079   10.070  147.649   13.595  163.570   13.173 -15.92076 18.93016 
1 1 1   17    6   35 o  117.003   9.1358   32.692   4.9446   28.985   6.4558   37.952   7.6905  109.228   12.647  124.778   13.188 -15.55000 18.27168 
1 1 1   17    6   36 o   76.468   13.209   14.592   4.1544   13.860   4.7523   16.966   8.5554   74.007   14.257   78.930   22.240 -4.923439 26.41768 
1 1 1   17    6   37 o   57.484   15.292   7.3886   5.5749   7.7701   7.5365   6.9276   8.2847   57.803   21.246   57.164   21.999 0.6385269 30.58345 
1 1 1   17    6   38 o  137.105   20.007   58.564   11.657   43.750   20.739   65.406   14.094  114.786   35.260  159.424   18.916 -44.63801 40.01365 
1 1 1   17    6   39 o  109.671   12.357   30.683   6.0752   23.620   8.1259   39.635   9.1480   93.899   19.166  125.442   15.604 -31.54327 24.71448 
1 1 1   17    6   40 o   91.184   12.451   22.767   4.8365   24.775   5.9482   18.848   8.3082  100.257   12.695   82.111   21.424 18.14581 24.90290 
1 1 1   17    6   41 o  100.520   13.066   28.091   5.7422   34.334   7.5683   19.622   8.8148  117.560   13.775   83.479   22.207 34.08015 26.13211 
1 1 1   17    6   42 o   65.798   13.189   11.656   4.2903   14.273   6.2339   9.3012   5.9136   72.511   18.373   59.085   18.926 13.42554 26.37729 
1 1 1   17    6   43 o  159.582   13.308   59.721   8.9552   49.248   10.321   91.616   18.012  137.834   16.023  181.331   21.254 -43.49692 26.61696 
1 1 1   17    6   44 o  116.191   17.711   43.357   8.9060   46.730   10.763   36.036   15.859  132.268   17.412  100.114   30.847 32.15336 35.42229 
1 1 1   17    6   45 o   92.447   15.057   25.224   6.5778   30.416   8.8033   18.660   9.8975  106.968   17.609   77.926   24.429 29.04251 30.11407 
1 1 1   17    6   46 o   79.192   16.594   17.560   5.8589   15.228   6.7107   25.039   12.016   72.542   19.412   85.841   26.918 -13.29950 33.18714 
1 1 1   17    6   47 o   66.391   17.345   14.518   7.0694   14.161   9.2706   15.015   10.928   66.015   23.663   66.768   25.368 -0.7537613 34.69077 
1 1 1   17    6   48 o   57.407   15.706   9.5552   6.1322   6.0125   8.5563   13.297   8.7932   51.022   21.366   63.792   23.025 -12.77009 31.41111 
1 1 1   17    6   49 f   33.900   11.509  -6.8813   5.3014  -8.7651   7.8381  -5.2929   7.1973   33.311   16.156   34.489   16.395 -1.178387 23.01778 
1 1 1   17    6   50 o   47.486   13.369   5.3386   4.8090   8.7144   6.0340  -0.5389   7.9619   54.047   19.120   40.925   18.690 13.12188 26.73793 
1 1 1   17    6   51 o   73.116   12.867   18.668   5.4214   26.617   6.8177   4.9964   8.9410   98.149   14.863   48.082   21.008 50.06617 25.73454 
1 1 1   17    7    0 o   77.154   8.7382   15.046   4.1132   15.046   4.1132   15.046   4.1132   77.154   12.358   77.154   12.358 -0.000000 0.000000 
1 1 1   17    7    1 o   99.253   7.2235   23.234   3.3388   22.510   4.5071   24.115   4.9704   97.583   9.8828  100.924   10.538 -3.340599 14.44703 
1 1 1   17    7    2 o  248.323   12.729  150.363   13.865  151.829   16.989  147.440   23.996  251.792   14.437  244.855   20.969 6.936981 25.45836 
1 1 1   17    7    3 o  159.571   8.6482   60.572   6.4491   60.043   9.1408   61.096   9.1001  158.858   12.312  160.283   12.148 -1.424744 17.29649 
1 1 1   17    7    4 f  270.279   13.814  180.670   16.318  172.199   28.182  184.942   20.014  263.212   22.910  277.345   15.441 -14.13278 27.62781 
1 1 1   17    7    5 o  147.370   8.5153   51.624   5.8618   49.387   8.1914   53.971   8.3920  144.074   12.166  150.666   11.918 -6.591980 17.03059 
1 1 1   17    7    6 o  144.249   7.1961   49.241   4.8506   48.110   6.8080   50.408   6.9127  142.559   10.218  145.939   10.135 -3.380569 14.39228 
1 1 1   17    7    7 o  239.179   12.346  138.066   13.035  136.401   15.978  141.379   22.537  238.496   14.335  239.863   20.105 -1.367035 24.69190 
1 1 1   17    7    8 o  310.851   12.955  236.986   18.555  244.426   24.552  227.076   28.336  317.787   16.531  303.915   19.950 13.87167 25.90903 
1 1 1   17    7    9 o  216.980   9.8156  112.647   9.8593  111.290   13.045  114.456   15.056  215.820   12.934  218.140   14.768 -2.320297 19.63115 
1 1 1   17    7   10 o  123.048   7.1280   35.867   4.0969   35.578   5.6911   36.177   5.9024  122.559   9.9360  123.537   10.223 -0.9785614 14.25608 
1 1 1   17    7   11 o  158.734   9.2776   60.398   6.8731   62.533   9.5961   58.149   9.8490  161.740   12.695  155.729   13.532 6.010620 18.55513 
1 1 1   17    7   12 o  249.106   15.516  155.314   18.053  161.870   25.615  148.844   25.446  254.642   21.524  243.570   22.354 11.07234 31.03226 
1 1 1   17    7   13 f  192.680   17.180   96.156   14.211   89.282   24.985   99.443   17.278  184.123   29.036  201.237   18.372 -17.11462 34.35978 
1 1 1   17    7   14 o  212.087   16.945  117.231   14.113  107.787   28.293  120.360   16.284  201.338   30.068  222.836   15.636 -21.49721 33.89046 
1 1 1   17    7   15 o   86.781   14.465   19.071   5.0178   18.518   10.954   19.218   5.6449   84.104   25.586   89.459   13.502 -5.354942 28.92984 
1 1 1   17    7   16 o   97.725   12.491   21.741   5.0884   28.862   9.8154   19.124   5.9505  106.334   20.494   89.117   14.287 17.21761 24.98284 
1 1 1   17    7   17 o  222.738   18.204  132.536   15.861  115.657   31.393  138.322   18.380  206.928   32.462  238.549   16.486 -31.62117 36.40820 
1 1 1   17    7   18 o  150.554   17.153   63.597   10.344   44.567   17.963   73.040   12.653  127.404   30.561  173.704   15.586 -46.29946 34.30632 
1 1 1   17    7   19 o  156.102   13.080   57.667   9.1390   67.512   15.777   52.695   11.212  164.914   20.470  147.291   16.287 17.62296 26.15908 
1 1 1   17    7   20 o  138.573   9.8609   45.268   6.3001   57.202   9.6141   36.287   8.3403  154.441   13.320  122.705   14.544 31.73544 19.72170 
1 1 1   17    7   21 o  226.130   13.750  126.062   14.500  136.865   20.736  115.725   20.284  235.994   18.801  216.265   20.069 19.72916 27.49972 
1 1 1   17    7   22 o  210.353   12.770  107.868   12.291  110.421   19.541  106.196   15.810  211.459   19.773  209.246   16.167 2.212738 25.54074 
1 1 1   17    7   23 o   90.919   13.229   21.776   5.2489   17.291   8.8613   24.200   6.5148   81.545   22.512  100.293   13.899 -18.74818 26.45742 
1 1 1   17    7   24 o   80.229   14.539   16.835   5.4238   15.710   8.5701   17.587   7.0053   77.593   22.391   82.864   18.551 -5.270470 29.07753 
1 1 1   17    7   25 f  160.104   11.435   62.613   8.3094   63.308   13.456   62.184   10.564  159.952   18.001  160.256   14.105 -0.3039398 22.86901 
1 1 1   17    7   26 o  177.358   11.314   75.081   9.1624   84.803   14.942   69.223   11.599  185.757   17.211  168.960   14.689 16.79688 22.62756 
1 1 1   17    7   27 o  243.433   14.535  148.426   16.093  148.668   25.818  148.272   20.580  241.650   22.861  245.216   17.958 -3.566040 29.07044 
1 1 1   17    7   28 o   98.361   14.376   24.835   6.2566   25.901   10.072   24.164   7.9839   99.242   22.263   97.479   18.194 1.763702 28.75208 
1 1 1   17    7   29 o  171.362   16.252   73.857   11.534   79.978   22.363   71.639   13.462  172.368   27.761  170.357   16.909 2.011063 32.50483 
1 1 1   17    7   30 o  162.521   17.091   70.468   10.085   67.828   21.592   71.204   11.405  154.061   31.061  170.982   14.273 -16.92110 34.18298 
1 1 1   17    7   31 o   71.252   15.071   13.376   5.0715   11.755   10.026   13.934   5.8790   69.004   24.622   73.501   17.387 -4.497406 30.14183 
1 1 1   17    7   32 o  121.401   11.395   36.799   6.2634   34.763   10.001   38.112   8.0340  117.703   18.181  125.100   13.741 -7.396660 22.78978 
1 1 1   17    7   33 o   95.848   12.965   23.952   5.4676   21.706   8.8902   25.318   6.9339   90.098   21.426  101.597   14.604 -11.49826 25.92956 
1 1 1   17    7   34 o  120.446   11.684   36.013   6.4346   36.942   10.244   35.407   8.2695  120.957   18.122  119.935   14.753 1.021507 23.36804 
1 1 1   17    7   35 f   79.514   10.963   15.274   3.8153   12.718   4.7430   19.961   6.4221   70.639   14.839   88.390   16.141 -17.75037 21.92564 
1 1 1   17    7   36 o   42.413   11.370   3.4773   2.8277   3.5666   3.2733   3.2145   5.6139   40.027   14.091   44.800   17.847 -4.773380 22.73940 
1 1 1   17    7   37 o   70.026   11.334   12.303   3.6453   9.0117   4.7950   16.810   5.6112   58.962   16.663   81.091   15.369 -22.12959 22.66815 
1 1 1   17    7   38 o   96.852   16.126   19.928   5.8334   16.010   6.3959   39.311   14.225   77.699   17.971  116.006   26.780 -38.30698 32.25143 
1 1 1   17    7   39 o  133.656   17.419   47.933   9.7510   43.738   11.545   58.374   18.214  129.048   19.142  138.265   29.108 -9.216629 34.83785 
1 1 1   17    7   40 o  100.193   19.089   32.575   9.2754   36.865   11.025   22.184   17.159  116.217   21.075   84.170   31.834 32.04752 38.17759 
1 1 1   17    7   41 o   44.367   13.371   0.0918   4.3743   6.2858   8.5777  -2.0852   5.0852   55.404   22.064   33.330   15.111 22.07348 26.74269 
1 1 1   17    7   42 o   75.521   14.601   16.640   5.2943   13.429   8.9453   18.371   6.5683   68.470   23.333   82.572   17.561 -14.10184 29.20294 
1 1 1   17    7   43 o   54.142   16.024   5.3136   6.6558   3.6678   8.5227   7.8867   10.656   49.735   21.101   58.549   24.121 -8.813984 32.04831 
1 1 1   17    7   44 f   77.499   18.695   16.906   8.3311   29.994   13.569   8.9869   10.555   94.688   28.404   60.310   24.317 34.37794 37.39084 
1 1 1   17    7   45 o   54.017   16.176   5.1444   6.7305   6.0937   11.758   4.6818   8.2082   57.313   24.563   50.721   21.057 6.591843 32.35295 
1 1 1   17    7   46 o   49.729   14.982   4.3900   6.0761   3.7831   8.0860   5.1771   9.2089   47.963   20.457   51.494   21.894 -3.530815 29.96428 
1 1 1   17    7   47 o   63.465   16.139   11.299   6.4684   4.5127   8.4858   20.710   9.9934   49.034   20.937   77.895   24.566 -28.86166 32.27743 
1 1 1   17    7   48 o   54.586   15.623   8.4561   6.1896   9.2414   8.1252   7.3703   9.5542   55.713   21.689   53.459   22.492 2.254387 31.24616 
1 1 1   17    7   49 o   50.406   14.344   5.2293   5.7712   12.098   7.9267  -2.5198   8.4191   60.968   21.878   39.845   18.556 21.12265 28.68740 
1 1 1   17    7   50 o   39.777   12.870  -2.5241   5.8171   3.8469   7.4881 -12.2207   9.2380   45.464   19.546   34.091   16.748 11.37268 25.73981 
1 1 1   17    7   51 o   33.221   11.340  -4.5099   4.0474  -5.3849   4.5554  -1.2303   8.8193   25.850   12.484   40.592   18.934 -14.74289 22.67903 
1 1 1   17    8    0 o  155.226   8.9575   57.990   9.0490   57.990   9.0490   57.990   9.0490  155.226   12.668  155.226   12.668 -0.000000 0.000000 
1 1 1   17    8    1 o  110.666   7.7535   29.142   3.9777   24.650   5.5649   33.835   5.6876  101.805   11.696  119.527   10.182 -17.72158 15.50707 
1 1 1   17    8    2 o  196.521   14.466   93.925   11.574   97.751   22.956   92.620   13.403  196.671   24.976  196.372   14.604 0.2992554 28.93184 
1 1 1   17    8    3 o  162.153   8.4453   62.971   6.3073   60.184   9.6547   65.046   8.3308  158.724   13.015  165.582   10.765 -6.858536 16.89066 
1 1 1   17    8    4 o  259.123   12.014  162.956   14.548  160.738   20.602  165.162   20.546  257.283   17.134  260.963   16.846 -3.680725 24.02846 
1 1 1   17    8    5 o  170.531   9.0017   69.432   7.1706   72.414   10.209   66.529   10.073  174.199   12.540  166.864   12.917 7.334198 18.00340 
1 1 1   17    8    6 o  313.252   13.899  241.596   20.320  255.945   28.771  227.316   28.703  323.010   19.059  303.494   20.236 19.51608 27.79844 
1 1 1   17    8    7 o  162.463   8.1492   62.556   6.1415   64.956   9.3399   60.728   8.1516  165.042   12.109  159.884   10.909 5.158096 16.29840 
1 1 1   17    8    8 o  148.856   7.6259   53.228   5.2143   48.925   7.9528   56.473   6.9058  143.260   11.878  154.452   9.5670 -11.19196 15.25182 
1 1 1   17    8    9 o  121.518   8.2465   35.778   4.5839   31.689   6.9883   38.866   6.0729  115.034   12.999  128.002   10.152 -12.96770 16.49307 
1 1 1   17    8   10 o  249.494   12.037  151.742   14.025  144.561   19.705  159.116   19.967  243.324   17.328  255.664   16.711 -12.34048 24.07304 
1 1 1   17    8   11 o  146.029   8.8480   50.895   6.0026   43.722   8.2778   58.849   8.7172  135.036   13.117  157.023   11.879 -21.98628 17.69607 
1 1 1   17    8   12 o   97.627   12.158   24.080   5.3110   18.245   7.6047   29.637   7.4206   84.356   19.654  110.897   14.318 -26.54092 24.31639 
1 1 1   17    8   13 o  266.944   16.301  180.034   20.309  170.007   28.708  190.080   28.735  258.909   23.725  274.979   22.360 -16.07001 32.60120 
1 1 1   17    8   14 o  281.372   24.778  201.981   32.583   0.0000   0.0000  201.981   32.583  ?   ?   281.372   24.778      ?      ? 
1 1 1   17    8   15 o  214.794   14.924  111.365   14.981   0.0000   0.0000  111.365   14.981  ?   ?   214.794   14.924      ?      ? 
1 1 1   17    8   16 o  212.765   17.390  117.912   15.995  106.671   27.560  123.621   19.640  201.270   29.300  224.260   18.739 -22.99026 34.77987 
1 1 1   17    8   17 o  141.117   16.174   52.650   9.3490   45.775   16.672   55.803   11.291  130.532   28.157  151.703   15.926 -21.17160 32.34876 
1 1 1   17    8   18 o  188.128   12.785   86.703   11.232   91.356   16.018   82.202   15.754  193.258   17.735  182.998   18.421 10.26003 25.57082 
1 1 1   17    8   19 o  172.013   11.942   72.053   9.5927   75.756   13.640   68.430   13.493  176.531   16.533  167.496   17.237 9.035034 23.88466 
1 1 1   17    8   20 o  170.450   11.319   71.465   8.6938   65.976   13.972   74.933   11.106  164.128   18.215  176.772   13.443 -12.64394 22.63806 
1 1 1   17    8   21 o  173.109   11.018   71.983   8.6990   75.002   14.022   70.093   11.091  175.428   17.103  170.789   13.896 4.638748 22.03653 
1 1 1   17    8   22 o  131.507   10.535   39.317   6.2679   56.429   10.341   29.381   7.8802  152.897   14.472  110.116   15.312 42.78063 21.06940 
1 1 1   17    8   23 o  145.557   16.194   59.176   8.4503   46.440   17.619   62.982   9.6303  129.232   29.783  161.882   12.729 -32.64981 32.38899 
1 1 1   17    8   24 o  129.199   11.414   40.428   6.6785   42.600   10.985   39.154   8.4118  131.249   17.908  127.150   14.156 4.098999 22.82732 
1 1 1   17    8   25 o  271.171   15.892  190.307   19.380  170.760   30.811  203.103   24.929  256.012   25.751  286.330   18.629 -30.31815 31.78325 
1 1 1   17    8   26 o  136.947   11.087   44.772   6.8636   49.249   11.448   42.259   8.5760  141.581   17.301  132.312   13.869 9.269669 22.17348 
1 1 1   17    8   27 o   64.968   14.324   11.063   4.9300   6.2188   8.6447   13.397   6.0017   57.659   22.392   72.277   17.869 -14.61864 28.64810 
1 1 1   17    8   28 o  114.115   12.509   32.407   6.4619   38.886   9.5595   26.954   8.7687  125.756   16.265  102.474   19.010 23.28223 25.01838 
1 1 1   17    8   29 o  188.440   18.462   97.545   14.373   87.424   25.086  102.492   17.538  174.551   31.928  202.329   18.547 -27.77765 36.92442 
1 1 1   17    8   30 o  124.178   14.063   38.404   7.0765   42.180   13.632   37.011   8.2796  125.223   24.168  123.134   14.388 2.089211 28.12647 
1 1 1   17    8   31 o  156.615   19.039   80.011   10.832   43.261   21.145   93.087   12.613  117.749   35.487  195.482   13.806 -77.73254 38.07841 
1 1 1   17    8   32 o  186.616   13.833   88.577   12.058   88.010   16.762   89.185   17.359  186.232   19.258  187.000   19.863 -0.7681732 27.66633 
1 1 1   17    8   33 o  177.782   11.605   77.670   9.4667   84.181   15.100   73.454   12.151  182.977   17.658  172.587   15.065 10.38968 23.21094 
1 1 1   17    8   34 o  200.166   12.808  101.955   11.677   98.658   18.463  104.154   15.074  195.576   20.199  204.757   15.753 -9.181091 25.61567 
1 1 1   17    8   35 o   75.686   14.390   14.836   5.1021   18.246   8.2625   12.735   6.4864   82.055   21.344   69.316   19.307 12.73915 28.78041 
1 1 1   17    8   36 o   86.575   16.893   19.512   6.0356   23.165   13.695   18.631   6.7237   88.658   28.840   84.492   17.599 4.166451 33.78566 
1 1 1   17    8   37 o   99.086   13.505   27.884   5.8800   35.486   7.6800   17.116   9.1404  119.936   13.702   78.236   23.277 41.69983 27.01021 
1 1 1   17    8   38 o   50.368   11.984   5.9714   2.8118   5.9484   3.0923   6.0811   6.7571   48.256   13.289   52.480   19.946 -4.224140 23.96729 
1 1 1   17    8   39 o   57.836   15.416   5.4290   3.2372   4.8572   3.3466   13.748   12.765   44.308   14.242   71.363   27.345 -27.05422 30.83120 
1 1 1   17    8   40 o   60.245   11.486   10.820   3.7225   13.972   4.2679   0.7961   7.6105   75.480   12.099   45.009   19.527 30.47095 22.97162 
1 1 1   17    8   41 o   67.600   14.992   11.969   4.9936   10.221   6.0352   15.764   8.8916   61.395   19.048   73.804   23.157 -12.40816 29.98445 
1 1 1   17    8   42 o  117.646   13.761   38.659   6.8577   35.912   11.666   40.110   8.4770  110.039   23.405  125.254   14.481 -15.21578 27.52252 
1 1 1   17    8   43 o  111.849   18.538   39.097   9.2980   37.855   11.737   41.191   15.236  113.104   22.988  110.595   29.089 2.509140 37.07558 
1 1 1   17    8   44 o   96.490   16.356   23.443   7.0548   14.872   8.3858   44.202   13.050   70.890   22.519  122.089   23.726 -51.19975 32.71178 
1 1 1   17    8   45 o   57.158   15.747   8.2936   6.6376   13.548   8.4836   0.0001   10.658   66.308   22.722   48.008   21.808 18.30070 31.49444 
1 1 1   17    8   46 o   45.166   14.056   1.4857   4.8974   0.0626   5.5876   6.2021   10.172   36.900   16.346   53.433   22.872 -16.53344 28.11218 
1 1 1   17    8   47 f   76.167   17.092   20.637   7.1789   24.378   9.3072   15.142   11.280   86.687   22.704   65.647   25.555 21.03981 34.18365 
1 1 1   17    8   48 o   73.093   17.959   19.059   7.3123   16.582   9.2162   23.267   12.013   69.005   23.682   77.181   27.006 -8.175385 35.91855 
1 1 1   17    8   49 o   88.083   18.512   27.723   7.9605   24.000   9.9991   34.168   13.155   82.612   24.286   93.554   27.945 -10.94266 37.02334 
1 1 1   17    8   50 o   45.999   14.423   0.5527   6.1865  -5.9220   7.8189   11.392   10.116   34.800   16.691   57.198   23.526 -22.39832 28.84523 
1 1 1   17    9    0 o  131.136   10.746   42.399   8.9882   42.399   8.9882   42.399   8.9882  131.136   15.198  131.136   15.198 -0.000000 0.000000 
1 1 1   17    9    1 o   98.618   12.105   25.325   4.5958   26.585   5.3192   21.615   9.1284  105.786   10.759   91.450   21.687 14.33593 24.20920 
1 1 1   17    9    2 o  212.354   16.128  118.860   13.373  124.714   15.486  101.695   26.520  227.561   14.561  197.147   28.783 30.41385 32.25680 
1 1 1   17    9    3 o   98.913   11.769   25.772   4.5822   27.738   5.4061   20.757   8.6349  108.052   10.706   89.774   20.961 18.27811 23.53700 
1 1 1   17    9    4 o  217.981   11.605  114.116   11.658  107.927   15.109  123.220   18.326  211.306   15.299  224.657   17.454 -13.35034 23.21016 
1 1 1   17    9    5 o  192.451   10.286   89.004   9.0809   87.904   11.745   90.638   14.319  191.523   13.122  193.380   15.844 -1.856644 20.57179 
1 1 1   17    9    6 o  133.226   9.9987   42.714   6.0008   42.710   7.5524   42.721   9.8827  133.739   12.083  132.712   15.934 1.027374 19.99738 
1 1 1   17    9    7 o  119.095   8.8034   34.351   4.8136   36.819   6.3953   31.125   7.3111  124.393   11.001  113.797   13.747 10.59543 17.60683 
1 1 1   17    9    8 o  166.416   10.680   66.639   8.1270   65.411   10.429   68.539   12.968  165.027   13.522  167.805   16.536 -2.777618 21.36080 
1 1 1   17    9    9 o  182.359   12.022   81.451   10.156   69.201   14.297   93.929   14.429  167.888   18.222  196.830   15.686 -28.94235 24.04362 
1 1 1   17    9   10 o  158.195   11.308   60.728   8.3415   55.517   11.654   66.201   11.945  151.044   16.510  165.345   15.457 -14.30070 22.61624 
1 1 1   17    9   11 o  232.530   14.991  134.990   16.268  142.305   22.952  127.606   23.061  239.329   20.520  225.730   21.860 13.59976 29.98198 
1 1 1   17    9   12 o  133.905   16.823   53.876   9.1242   26.882   15.458   68.309   11.303   99.399   30.427  168.412   14.361 -69.01357 33.64555 
1 1 1   17    9   13 o   72.288   16.132   13.200   6.1373   11.274   8.9504   14.909   8.4317   68.410   23.340   76.166   22.276 -7.756157 32.26390 
1 1 1   17    9   14 o  142.937   22.810   51.415   15.238   0.0000   0.0000   51.415   15.238  ?   ?   142.937   22.810      ?      ? 
1 1 1   17    9   15 o  284.451   24.248  205.584   32.235   0.0000   0.0000  205.584   32.235  ?   ?   284.451   24.248      ?      ? 
1 1 1   17    9   16 o  112.040   11.465   30.081   5.9590   35.541   8.9891   25.801   7.9593  121.075   15.886  103.004   16.534 18.07122 22.92900 
1 1 1   17    9   17 o  115.339   11.427   32.269   6.1377   32.485   9.0780   32.087   8.3302  115.518   16.815  115.160   15.478 0.3574066 22.85415 
1 1 1   17    9   18 o  121.604   15.565   38.843   6.9691   35.201   15.003   39.845   7.8697  114.216   28.261  128.991   13.054 -14.77425 31.13020 
1 1 1   17    9   19 o  206.929   20.420  120.138   16.999   91.972   29.339  134.372   20.856  180.175   36.101  233.683   19.097 -53.50844 40.84062 
1 1 1   17    9   20 o  143.612   10.788   48.634   7.0805   55.925   11.547   44.239   8.9636  151.676   16.289  135.548   14.150 16.12845 21.57649 
1 1 1   17    9   21 o  124.774   11.252   39.070   6.2105   33.794   10.168   42.210   7.8436  116.914   18.609  132.633   12.654 -15.71918 22.50348 
1 1 1   17    9   22 o  170.288   11.290   70.835   8.7046   71.044   14.155   70.708   11.039  169.546   17.864  171.031   13.810 -1.484863 22.57948 
1 1 1   17    9   23 o   96.017   12.952   24.283   5.2486   20.278   9.1789   26.229   6.3977   87.689   22.336  104.346   13.119 -16.65739 25.90379 
1 1 1   17    9   24 o  139.775   11.489   47.981   7.1774   46.726   11.927   48.694   8.9870  137.407   18.572  142.144   13.528 -4.737076 22.97704 
1 1 1   17    9   25 o  160.648   11.113   62.447   8.1801   65.171   13.013   60.668   10.518  162.921   17.091  158.376   14.210 4.544876 22.22661 
1 1 1   17    9   26 o  105.559   12.943   29.116   6.0141   20.336   8.7945   36.830   8.2428   87.919   21.567  123.200   14.316 -35.28067 25.88583 
1 1 1   17    9   27 o   64.007   14.022   10.089   4.7576   13.972   6.9579   6.6796   6.5200   73.211   19.841   54.803   19.819 18.40836 28.04386 
1 1 1   17    9   28 o   72.154   14.409   13.565   5.0602   14.577   7.4779   12.709   6.8728   74.464   20.726   69.844   20.021 4.620186 28.81744 
1 1 1   17    9   29 o  100.308   14.786   24.155   6.4697   36.143   11.290   18.293   7.8946  117.352   21.372   83.264   20.439 34.08781 29.57247 
1 1 1   17    9   30 o  165.929   17.701   76.372   12.136   65.619   20.918   81.829   14.900  150.898   30.706  180.959   17.619 -30.06082 35.40201 
1 1 1   17    9   31 o  130.741   16.835   50.092   9.0712   33.824   15.557   58.474   11.166  107.543   29.880  153.939   15.521 -46.39539 33.67093 
1 1 1   17    9   32 o   83.054   16.190   16.787   6.3139   11.889   7.6981   26.852   11.036   67.419   21.593   98.690   24.130 -31.27114 32.38061 
1 1 1   17    9   33 o   77.834   12.900   16.346   5.3663   4.0883   7.9276   26.713   7.2905   51.683   20.991  103.985   15.002 -52.30186 25.80084 
1 1 1   17    9   34 o  120.757   16.559   39.196   8.2824   40.130   15.453   38.820   9.8104  117.211   28.489  124.303   16.888 -7.091751 33.11810 
1 1 1   17    9   35 o   89.023   17.619   21.480   6.8805   23.931   14.102   20.714   7.8824   89.843   29.266   88.204   19.628 1.638863 35.23878 
1 1 1   17    9   36 o  128.374   19.778   48.842   11.490   44.280   17.209   52.510   15.433  120.071   30.583  136.676   25.086 -16.60477 39.55527 
1 1 1   17    9   37 o   79.588   15.818   18.666   6.6907   25.265   8.7081   9.1556   10.453   96.525   19.963   62.652   24.543 33.87283 31.63615 
1 1 1   17    9   38 o   53.331   15.079   4.8657   5.8479   8.8042   8.3961   1.1550   8.1497   59.882   22.347   46.780   20.251 13.10239 30.15767 
1 1 1   17    9   39 o   95.960   17.938   22.457   7.1493   38.604   15.201   17.870   8.1012  111.826   28.883   80.094   21.281 31.73210 35.87633 
1 1 1   17    9   40 f   56.233   14.129   8.1464   4.0694   8.9761   4.3794   2.9002   11.012   58.334   15.712   54.131   23.487 4.202793 28.25816 
1 1 1   17    9   41 o   35.483   12.009  -2.1680   2.8287  -2.2694   2.9480  -0.9917   10.042   23.767   11.039   47.200   21.332 -23.43342 24.01864 
1 1 1   17    9   42 o   63.933   17.315   11.130   7.0957   8.7704   9.0713   14.850   11.390   58.419   22.869   69.447   26.005 -11.02845 34.63014 
1 1 1   17    9   43 f   38.951   12.898  -5.7411   5.9447  -9.0946   8.4831  -2.5051   8.3332   36.134   17.345   41.768   19.093 -5.633984 25.79511 
1 1 1   17    9   44 o   55.316   15.688   7.6291   5.5411   0.4963   14.390   8.8709   6.0041   54.163   24.881   56.468   19.117 -2.304371 31.37683 
1 1 1   17    9   45 o   79.340   18.149   16.974   9.0532   42.794   14.651   1.0264   11.514  109.162   28.435   49.517   22.561 59.64524 36.29790 
1 1 1   17    9   46 o   74.943   16.156   15.174   5.3931   11.768   6.1178   27.048   11.423   62.616   19.137   87.270   26.034 -24.65379 32.31128 
1 1 1   17    9   47 o   41.487   13.245   0.5434   4.5201  -0.1607   5.0931   3.1545   9.8084   34.760   15.490   48.214   21.490 -13.45356 26.49099 
1 1 1   17    9   48 o   62.703   15.201   13.393   5.5220   15.055   6.3137   7.9832   11.389   70.415   18.823   54.991   23.873 15.42420 30.40127 
1 1 1   17    9   49 o   92.226   16.177   28.660   6.6003   28.274   7.7257   29.704   12.699   99.687   16.583   84.766   27.781 14.92117 32.35404 
1 1 1   17    9   50 o   30.915   10.600  -5.3937   4.2461  -3.9291   4.8973  -9.8285   8.5220   28.518   13.547   33.313   16.308 -4.795061 21.20040 
1 1 1   17   10    0 o   18.952   9.0482  -1.4924   3.3030  -1.4924   3.3030  -1.4924   3.3030   18.952   12.796   18.952   12.796 -0.000000 0.000000 
1 1 1   17   10    1 o  106.976   10.182   27.368   5.0634   25.553   6.7503   29.703   7.6566  103.039   14.018  110.913   14.771 -7.874207 20.36367 
1 1 1   17   10    2 f  170.506   8.8668   69.564   7.0621   66.763   9.9380   72.421   10.037  166.976   12.735  174.036   12.341 -7.059570 17.73350 
1 1 1   17   10    3 o  154.835   8.5394   57.255   6.1785   56.527   8.6511   58.013   8.8270  153.844   12.032  155.827   12.121 -1.983963 17.07885 
1 1 1   17   10    4 f  146.008   8.2906   50.845   5.6468   46.816   7.8953   55.063   8.0793  140.001   12.067  152.016   11.372 -12.01570 16.58120 
1 1 1   17   10    5 o   76.073   8.8787   14.349   3.0033   10.763   4.2966   17.774   4.1996   65.636   14.402   86.509   10.387 -20.87312 17.75737 
1 1 1   17   10    6 o  248.695   13.565  152.647   15.405  153.059   19.842  152.022   24.442  250.557   16.945  246.833   21.188 3.723297 27.13040 
1 1 1   17   10    7 o  198.740   10.834   93.176   9.8973   83.132   12.676  108.860   15.841  185.669   14.609  211.811   16.002 -26.14203 21.66755 
1 1 1   17   10    8 o  286.486   17.039  212.874   21.929  230.083   28.302  187.026   34.687  304.958   19.858  268.013   27.693 36.94598 34.07715 
1 1 1   17   10    9 o  171.172   14.232   71.374   10.642   69.210   12.873   76.048   18.915  168.801   16.318  173.543   23.322 -4.742371 28.46360 
1 1 1   17   10   10 f   90.370   12.662   15.010   4.5702   10.577   5.0991   33.116   10.305   64.751   16.731  115.988   19.011 -51.23708 25.32411 
1 1 1   17   10   11 o  183.034   17.029   81.640   14.566   81.640   14.566   0.0000   0.0000  183.034   17.029  ?   ?       ?      ? 
1 1 1   17   10   12 o  172.245   25.434   75.981   20.474   75.981   20.474   0.0000   0.0000  172.245   25.434  ?   ?       ?      ? 
1 1 1   17   10   13 o  118.330   13.225   33.416   7.1659   29.669   9.0934   39.554   11.640  110.153   17.664  126.508   19.687 -16.35526 26.44992 
1 1 1   17   10   14 o  177.030   18.047   80.258   14.917   85.010   21.362   75.734   20.841  182.426   25.056  171.635   25.982 10.79062 36.09463 
1 1 1   17   10   15 o  206.583   22.054  115.732   20.343   93.346   28.928  137.633   28.612  182.121   35.262  231.045   26.498 -48.92380 44.10814 
1 1 1   17   10   16 o  224.426   13.901  124.383   14.569  120.381   20.757  128.268   20.453  220.574   20.135  228.279   19.171 -7.704742 27.80240 
1 1 1   17   10   17 o  159.921   12.000   62.188   8.9629   64.502   12.971   60.073   12.399  162.732   17.056  157.110   16.886 5.622513 24.00097 
1 1 1   17   10   18 o  117.107   11.310   33.109   6.1703   35.556   9.1869   31.098   8.3283  120.957   16.252  113.258   15.734 7.698921 22.62033 
1 1 1   17   10   19 o   72.401   13.053   12.856   4.4660   17.938   6.9340   9.2530   5.8382   83.896   18.208   60.906   18.708 22.98974 26.10558 
1 1 1   17   10   20 o   93.396   12.494   21.955   5.2688   21.216   8.0678   22.505   6.9574   90.697   19.605   96.094   15.492 -5.397041 24.98709 
1 1 1   17   10   21 o   81.856   13.700   17.863   5.1786   13.673   8.0064   20.876   6.7903   72.657   21.823   91.056   16.567 -18.39948 27.39935 
1 1 1   17   10   22 o   99.991   12.992   25.318   5.8264   26.004   8.6665   24.751   7.8704  100.966   19.065   99.015   17.656 1.951675 25.98466 
1 1 1   17   10   23 o  193.557   12.772   92.419   11.540   98.269   16.462   86.767   16.181  199.822   17.628  187.292   18.487 12.52994 25.54378 
1 1 1   17   10   24 o  187.683   13.197   87.463   11.572   86.130   16.482   88.760   16.250  186.100   18.950  189.265   18.372 -3.164200 26.39378 
1 1 1   17   10   25 o  174.062   12.720   75.587   10.281   67.346   14.700   83.479   14.385  164.029   19.175  184.094   16.719 -20.06554 25.44053 
1 1 1   17   10   26 o  115.755   12.533   33.722   6.3122   48.277   9.3573   21.569   8.5507  140.862   14.214   90.649   20.645 50.21352 25.06520 
1 1 1   17   10   27 o  155.518   12.289   60.145   8.9267   57.973   12.628   62.313   12.621  152.529   17.714  158.507   17.037 -5.977234 24.57768 
1 1 1   17   10   28 o  149.228   11.812   55.202   8.2374   56.013   11.724   54.412   11.576  150.317   16.689  148.139   16.720 2.178467 23.62413 
1 1 1   17   10   29 o  102.012   15.644   27.667   7.0016   28.100   11.739   27.427   8.7231  100.982   25.005  103.041   18.807 -2.059036 31.28843 
1 1 1   17   10   30 o  103.432   14.479   25.241   6.6295   38.672   11.636   18.786   8.0667  122.854   20.267   84.009   20.684 38.84604 28.95782 
1 1 1   17   10   31 o   57.938   14.329   6.6090   4.9787   13.386   7.9155   2.1731   6.4041   70.938   21.782   44.937   18.623 26.00041 28.65812 
1 1 1   17   10   32 f  115.554   16.548   37.387   8.2802   40.308   10.226   31.824   14.110  126.590   17.285  104.519   28.224 22.07171 33.09645 
1 1 1   17   10   33 o  131.936   18.070   52.999   9.7194   36.853   17.685   59.986   11.634  108.851   32.375  155.020   16.058 -46.16891 36.13913 
1 1 1   17   10   34 o   50.768   15.318   2.8707   5.5370  -0.4230   12.410   3.6894   6.1870   54.480   24.236   47.057   18.739 7.423321 30.63533 
1 1 1   17   10   35 o   78.356   18.725   17.453   8.0488   16.818   13.087   17.839   10.208   77.369   28.064   79.343   24.798 -1.973183 37.45024 
1 1 1   17   10   36 o   66.151   22.370   11.856   8.2218   11.856   8.2218   0.0000   0.0000   66.151   22.370  ?   ?       ?      ? 
1 1 1   17   10   37 o  122.803   15.727   39.413   8.6494   30.947   10.926   53.624   14.156  104.719   22.958  140.888   21.499 -36.16956 31.45318 
1 1 1   17   10   38 o  102.153   17.322   29.019   8.1141   22.803   10.461   38.407   12.856   88.582   24.462  115.725   24.532 -27.14301 34.64394 
1 1 1   17   10   39 o   60.270   15.725   5.3820   6.4483  -2.8691   8.2418   18.404   10.354   41.765   19.051   78.774   25.023 -37.00883 31.44978 
1 1 1   17   10   40 o   49.153   14.014   3.0251   4.9561   9.4041   8.2287  -0.6063   6.2085   59.626   22.148   38.680   17.178 20.94603 28.02864 
1 1 1   17   10   41 o   44.019   13.697   0.9772   5.0785   1.2316   9.2706   0.8681   6.0703   47.773   21.114   40.265   17.454 7.508160 27.39440 
1 1 1   17   10   42 o   38.487   12.054   1.3021   3.0693   2.0575   3.2240  -6.0090   10.029   34.603   13.607   42.370   19.901 -7.767052 24.10760 
1 1 1   17   10   43 o   55.237   14.539   6.5157   3.7599   5.7241   4.0394   11.649   10.287   47.010   15.681   63.464   24.488 -16.45361 29.07824 
1 1 1   17   10   44 o   45.509   13.612   3.5517   3.7069   3.5470   3.9577   3.5858   10.581   39.998   15.250   51.021   22.553 -11.02354 27.22463 
1 1 1   17   10   45 o   63.542   18.261   13.474   8.7529   8.2425   14.320   16.593   11.059   58.412   26.006   68.671   25.643 -10.25977 36.52227 
1 1 1   17   10   46 o   62.442   17.258   12.964   7.2022   11.015   9.3758   15.770   11.249   58.874   23.187   66.009   25.569 -7.134937 34.51696 
1 1 1   17   10   47 o   42.433   12.341   3.7660   3.8296   5.5828   4.1430  -6.8954   10.036   45.438   15.862   39.427   18.910 6.011620 24.68126 
1 1 1   17   10   48 o   62.697   23.754   13.929   9.5645   13.929   9.5645   0.0000   0.0000   62.697   23.754  ?   ?       ?      ? 
1 1 1   17   10   49 o   37.650   17.971  -4.6797   8.8300  -4.6797   8.8300   0.0000   0.0000   37.650   17.971  ?   ?       ?      ? 
1 1 1   17   11    0 o  169.320   11.927   70.315   13.043   70.315   13.043   70.315   13.043  169.320   16.867  169.320   16.867 -0.000000 0.000000 
1 1 1   17   11    1 o  162.782   9.9055   61.963   7.3953   55.118   9.4184   72.969   11.942  151.611   13.292  173.953   14.690 -22.34134 19.81109 
1 1 1   17   11    2 o   75.438   8.5215   13.692   2.9279   12.049   3.9993   15.591   4.2983   69.964   12.699   80.912   11.367 -10.94775 17.04294 
1 1 1   17   11    3 o   78.163   8.1130   14.609   2.9498   16.028   4.1417   13.148   4.2023   82.116   10.792   74.210   12.117 7.905426 16.22605 
1 1 1   17   11    4 o   40.298   10.364   1.9396   2.5142  -0.0250   3.0264   6.3150   4.5165   29.185   12.483   51.410   16.547 -22.22532 20.72797 
1 1 1   17   11    5 o  102.718   10.394   25.295   4.9699   23.857   6.6777   27.081   7.4410   99.538   14.355  105.899   15.035 -6.360703 20.78711 
1 1 1   17   11    6 o  149.958   15.248   61.414   9.2551   43.724   15.621   70.982   11.488  128.209   26.928  171.707   14.316 -43.49774 30.49670 
1 1 1   17   11    7 o  115.783   10.307   31.888   5.5406   28.269   7.3592   36.624   8.4183  108.307   14.539  123.259   14.614 -14.95139 20.61415 
1 1 1   17   11    8 o   82.581   14.507   16.809   5.7269   10.595   7.5677   25.138   8.7608   65.715   21.441   99.446   19.547 -33.73118 29.01395 
1 1 1   17   11    9 o   88.331   15.057   19.398   6.1548   14.465   8.0172   26.478   9.6048   75.073   21.655  101.590   20.926 -26.51775 30.11376 
1 1 1   17   11   10 o  140.088   14.456   51.413   7.5985   53.477   8.7442   45.047   15.355  149.549   12.511  130.627   26.065 18.92145 28.91224 
1 1 1   17   11   11 o  129.320   15.637   40.495   9.4509   40.495   9.4509   0.0000   0.0000  129.320   15.637  ?   ?       ?      ? 
1 1 1   17   11   12 o   83.745   15.277   18.226   5.9260   18.762   7.5428   17.362   9.5784   85.744   19.290   81.746   23.695 3.997078 30.55433 
1 1 1   17   11   13 o  120.154   11.189   34.958   6.2794   35.143   9.0410   34.786   8.7281  120.394   16.068  119.913   15.574 0.4808884 22.37740 
1 1 1   17   11   14 o  165.449   15.021   66.599   11.014   73.164   19.165   63.361   13.459  169.922   24.133  160.977   17.890 8.945602 30.04110 
1 1 1   17   11   15 o   85.548   14.815   20.805   5.9742   10.367   10.997   25.176   7.1158   68.965   25.606  102.131   14.908 -33.16611 29.62998 
1 1 1   17   11   16 o   88.002   14.269   20.167   5.7860   24.085   8.0123   15.898   8.3645   97.664   18.224   78.340   21.962 19.32420 28.53841 
1 1 1   17   11   17 o  224.612   13.626  125.309   14.285  133.527   20.350  117.327   20.057  232.226   18.750  216.998   19.777 15.22775 27.25265 
1 1 1   17   11   18 o  105.505   18.888   28.354   8.9710   28.354   8.9710   0.0000   0.0000  105.505   18.888  ?   ?       ?      ? 
1 1 1   17   11   19 o  110.383   11.853   30.042   6.0660   28.767   9.0379   31.088   8.1829  107.856   17.930  112.909   15.507 -5.053352 23.70561 
1 1 1   17   11   20 f   56.408   12.964   7.7353   4.1236   3.6932   6.4832   10.482   5.3438   48.608   19.237   64.208   17.382 -15.60000 25.92731 
1 1 1   17   11   21 o   95.363   12.896   22.674   5.6210   26.325   8.2565   19.520   7.6740  103.596   17.053   87.130   19.349 16.46532 25.79179 
1 1 1   17   11   22 o   55.356   13.693   6.9992   4.4070   5.5242   6.4436   8.2955   6.0408   52.322   19.567   58.389   19.162 -6.066940 27.38642 
1 1 1   17   11   23 f   63.619   12.708   10.005   4.6139   1.3668   6.8808   17.063   6.2193   45.278   19.071   81.960   16.801 -36.68205 25.41608 
1 1 1   17   11   24 o  155.426   11.933   59.700   8.6608   59.129   12.462   60.234   12.045  154.515   17.257  156.338   16.486 -1.823044 23.86602 
1 1 1   17   11   25 o  103.302   12.601   26.786   5.9511   28.980   8.7625   24.908   8.1079  108.021   17.357   98.582   18.271 9.438904 25.20115 
1 1 1   17   11   26 o   89.859   13.743   21.059   5.6204   25.022   8.0638   17.314   7.8378   98.777   18.136   80.941   20.652 17.83535 27.48519 
1 1 1   17   11   27 o   44.988   12.750   1.5775   4.4696  -4.0132   6.5333   6.4963   6.1282   36.412   16.741   53.563   19.235 -17.15073 25.49950 
1 1 1   17   11   28 o   92.876   13.513   22.242   5.7875   30.289   8.4318   15.074   7.9583  110.527   16.323   75.224   21.539 35.30364 27.02552 
1 1 1   17   11   29 o   53.612   14.514   4.6798   5.0374   9.7538   8.3275   1.7518   6.3261   63.189   22.451   44.035   18.400 19.15442 29.02765 
1 1 1   17   11   30 o   78.924   15.146   17.760   5.8186   11.610   10.080   20.833   7.1258   68.104   24.641   89.744   17.619 -21.63979 30.29157 
1 1 1   17   11   31 f  166.601   20.635   78.952   15.539   96.684   22.938   63.912   21.125  187.479   26.179  145.723   31.903 41.75638 41.26923 
1 1 1   17   11   32 o  125.594   20.587   47.599   12.264   35.108   18.475   57.439   16.397  105.260   33.424  145.928   24.043 -40.66766 41.17358 
1 1 1   17   11   33 o  125.896   30.218   47.664   17.553   47.664   17.553   0.0000   0.0000  125.896   30.218  ?   ?       ?      ? 
1 1 1   17   11   34 o  137.530   19.061   49.035   12.251   49.035   12.251   0.0000   0.0000  137.530   19.061  ?   ?       ?      ? 
1 1 1   17   11   35 o  142.234   19.180   53.096   12.749   53.096   12.749   0.0000   0.0000  142.234   19.180  ?   ?       ?      ? 
1 1 1   17   11   36 o  193.581   18.715  106.744   16.040  103.921   19.832  112.084   27.276  196.030   21.648  191.133   30.535 4.896744 37.43035 
1 1 1   17   11   37 o   71.627   14.519   14.614   5.9892   2.9769   9.5005   22.288   7.7154   52.066   22.190   91.188   18.731 -39.12199 29.03872 
1 1 1   17   11   38 o   83.203   14.350   20.454   5.9228   11.341   9.4577   26.334   7.5969   64.948   23.812  101.459   16.022 -36.51099 28.69983 
1 1 1   17   11   39 o   67.165   15.261   12.539   5.4247   16.181   8.3800   9.9118   7.1171   74.195   22.336   60.136   20.801 14.05917 30.52175 
1 1 1   17   11   40 o   53.893   14.255   7.0364   5.2936   0.0574   8.7307   11.094   6.6567   45.315   20.231   62.472   20.087 -17.15678 28.50934 
1 1 1   17   11   41 o   58.141   15.945   8.5016   5.8056   6.5957   11.672   9.1281   6.6921   58.268   24.707   58.014   20.164 0.2541885 31.89063 
1 1 1   17   11   42 o   45.725   13.884   2.0712   5.0285   4.6307   8.8005   0.8305   6.1273   51.237   21.574   40.212   17.484 11.02462 27.76896 
1 1 1   17   11   43 o   43.583   11.857   4.0367   3.0130   3.6062   3.4485   5.4255   6.1940   39.233   14.379   47.933   18.856 -8.699898 23.71339 
1 1 1   17   11   44 o   64.981   14.803   10.529   4.3600   8.1451   4.8933   19.710   9.6040   53.571   17.222   76.390   24.082 -22.81885 29.60614 
1 1 1   17   11   45 o   52.002   16.355   5.0075   7.9355   1.5856   13.498   6.8150   9.8099   51.129   23.704   52.875   22.542 -1.745636 32.71098 
1 1 1   17   11   46 o   44.983   16.111   5.3940   4.2965   5.3940   4.2965   0.0000   0.0000   44.983   16.111  ?   ?       ?      ? 
1 1 1   17   11   47 o   52.344   22.221   7.2185   9.4590   7.2185   9.4590   0.0000   0.0000   52.344   22.221  ?   ?       ?      ? 
1 1 1   17   11   48 o   59.911   23.914   13.520   10.097   13.520   10.097   0.0000   0.0000   59.911   23.914  ?   ?       ?      ? 
1 1 1   17   12    0 o  154.230   17.968   62.170   16.821   62.170   16.821   62.170   16.821  154.230   25.410  154.230   25.410 -0.000000 0.000000 
1 1 1   17   12    1 o  233.070   16.318  130.615   16.998  116.367   20.759  159.605   29.611  216.479   20.519  249.660   25.378 -33.18120 32.63548 
1 1 1   17   12    2 f  202.815   12.234  100.551   11.485   83.843   15.997  118.325   16.499  184.763   18.526  220.867   15.984 -36.10417 24.46808 
1 1 1   17   12    3 o  230.645   13.959  131.508   15.030  123.604   21.103  139.644   21.411  223.302   20.221  237.989   19.250 -14.68721 27.91860 
1 1 1   17   12    4 o  112.928   13.132   30.876   6.1770   29.585   7.3344   34.027   11.456  110.882   14.153  114.975   22.124 -4.092468 26.26385 
1 1 1   17   12    5 o  151.954   10.112   55.803   7.1410   62.092   10.066   49.431   10.132  160.884   13.387  143.025   15.158 17.85826 20.22366 
1 1 1   17   12    6 o  129.337   11.577   39.865   6.9976   39.865   6.9976   0.0000   0.0000  129.337   11.577  ?   ?       ?      ? 
1 1 1   17   12    7 o  111.544   11.064   26.767   4.9406   23.989   5.5680   37.051   10.714  100.283   11.880  122.805   18.667 -22.52254 22.12706 
1 1 1   17   12    8 o  223.469   18.803  133.718   16.261  138.916   18.740  117.878   32.715  238.939   16.782  207.999   33.654 30.94000 37.60653 
1 1 1   17   12    9 o  181.019   11.972   71.088   9.0254   61.928   10.352  100.110   18.426  160.588   13.794  201.450   19.572 -40.86215 23.94415 
1 1 1   17   12   10 o  331.446   18.898  286.704   28.327  300.735   36.531  265.544   44.861  346.195   22.579  316.696   30.310 29.49924 37.79529 
1 1 1   17   12   11 o  300.574   20.708  227.162   27.834  203.267   34.062  275.190   48.291  281.487   25.892  319.662   32.324 -38.17587 41.41570 
1 1 1   17   12   12 o  379.735   24.128  396.520   42.461  345.811   60.013  447.354   60.086  351.167   36.567  408.304   31.488 -57.13773 48.25613 
1 1 1   17   12   13 o  132.656   11.865   43.127   7.3130   38.504   10.440   47.582   10.247  125.280   17.831  140.031   15.658 -14.75143 23.72997 
1 1 1   17   12   14 o  181.290   15.638   79.880   12.603   93.975   22.076   73.065   15.351  190.959   24.736  171.622   19.139 19.33762 31.27625 
1 1 1   17   12   15 o  257.940   21.848  180.282   24.670  185.792   42.829  177.546   30.179  254.060   36.071  261.821   24.664 -7.761139 43.69670 
1 1 1   17   12   16 o  138.824   11.596   47.138   7.4956   52.898   10.850   41.879   10.367  147.162   15.776  130.486   17.000 16.67592 23.19225 
1 1 1   17   12   17 o   99.931   13.417   27.078   5.9097   16.551   8.9850   35.105   7.8455   79.358   22.934  120.504   13.931 -41.14645 26.83358 
1 1 1   17   12   18 o  188.300   13.308   88.553   11.568   74.060   16.448  102.736   16.271  171.946   20.468  204.653   17.012 -32.70659 26.61507 
1 1 1   17   12   19 o  138.586   11.740   46.982   7.5974   47.476   10.998   46.531   10.508  139.167   16.909  138.006   16.292 1.161026 23.48065 
1 1 1   17   12   20 o   85.197   13.162   18.984   5.2089   13.276   7.7477   23.693   7.0365   71.725   21.451   98.669   15.259 -26.94421 26.32457 
1 1 1   17   12   21 o  125.576   14.798   40.921   8.0779   42.436   10.187   38.353   13.258  131.357   16.594  119.795   24.507 11.56191 29.59641 
1 1 1   17   12   22 o  188.451   12.848   88.405   11.297   95.342   16.210   81.854   15.754  195.931   17.703  180.972   18.626 14.95952 25.69686 
1 1 1   17   12   23 o  231.478   14.805  136.628   16.002  143.355   22.719  130.004   22.543  237.566   20.463  225.389   21.401 12.17720 29.60985 
1 1 1   17   12   24 o  106.230   13.610   29.852   6.4192   21.375   9.4098   37.231   8.7791   89.266   22.549  123.194   15.248 -33.92825 27.22032 
1 1 1   17   12   25 o  195.923   17.795  102.403   15.226  103.212   18.683  100.803   26.275  201.626   19.827  190.220   29.556 11.40594 35.59023 
1 1 1   17   12   26 o  131.380   17.720   50.074   9.7557   56.665   11.961   36.975   16.862  150.885   16.962  111.876   31.118 39.00953 35.44018 
1 1 1   17   12   27 o  249.317   19.465  166.857   21.511  157.600   26.360  185.314   37.221  244.879   23.033  253.756   31.385 -8.877594 38.93007 
1 1 1   17   12   28 o  109.998   15.998   31.639   7.5521   29.645   9.1857   35.797   13.267  106.732   19.117  113.264   25.658 -6.532097 31.99665 
1 1 1   17   12   29 o  129.595   18.450   47.348   10.928   59.589   15.372   34.842   15.538  150.838   21.806  108.352   29.769 42.48598 36.90096 
1 1 1   17   12   30 o   93.058   26.879   24.925   12.345   0.0000   0.0000   24.925   12.345  ?   ?    93.058   26.879      ?      ? 
1 1 1   17   12   31 o  151.903   20.862   67.562   14.262   67.602   20.656   67.525   19.716  151.094   30.307  152.711   28.678 -1.617081 41.72474 
1 1 1   17   12   32 o   61.372   26.336   4.4763   13.548   4.4763   13.548   0.0000   0.0000   61.372   26.336  ?   ?       ?      ? 
1 1 1   17   12   33 f  126.663   15.654   43.316   8.7681   42.251   11.119   45.067   14.259  127.669   18.635  125.656   25.159 2.012779 31.30858 
1 1 1   17   12   34 o  142.305   17.261   60.426   10.384   70.932   13.308   44.073   16.603  166.146   17.139  118.464   29.967 47.68150 34.52171 
1 1 1   17   12   35 o  126.932   13.050   41.702   7.7104   44.285   11.540   39.619   10.363  130.091   18.982  123.772   17.915 6.318626 26.10037 
1 1 1   17   12   36 o  105.875   14.619   30.517   7.0710   27.794   10.209   33.027   9.8027   99.352   22.509  112.398   18.661 -13.04562 29.23897 
1 1 1   17   12   37 o  104.115   18.823   30.873   8.6281   26.735   10.309   40.549   15.766   96.042   23.223  112.188   29.629 -16.14614 37.64544 
1 1 1   17   12   38 o  101.962   14.874   29.785   6.8134   28.319   10.212   30.961   9.1468   98.067   22.727  105.855   19.196 -7.788132 29.74854 
1 1 1   17   12   39 o   70.090   17.453   14.106   6.4025   17.130   13.299   13.193   7.3047   72.828   27.909   67.352   20.966 5.476143 34.90685 
1 1 1   17   12   40 o   66.105   15.196   11.470   5.3883   18.039   8.7796   7.4999   6.8249   77.787   22.726   54.423   20.179 23.36371 30.39181 
1 1 1   17   12   41 o  119.365   13.825   40.316   7.3832   36.009   11.014   43.831   9.9500  110.363   22.123  128.367   16.585 -18.00479 27.65004 
1 1 1   17   12   42 o   80.636   14.754   18.409   5.8846   30.964   9.4076   10.340   7.5422  102.263   20.399   59.009   21.320 43.25432 29.50727 
1 1 1   17   12   43 o   55.719   16.124   5.3412   6.5424   17.406   11.500  -0.4329   7.9554   69.746   26.128   41.692   18.901 28.05400 32.24799 
1 1 1   17   12   44 o   49.655   15.283   2.9124   6.2055   11.266   11.124  -0.8617   7.4770   59.505   24.593   39.804   18.153 19.70111 30.56663 
1 1 1   17   12   45 o   53.415   15.823   8.1264   4.2307   8.1264   4.2307   0.0000   0.0000   53.415   15.823  ?   ?       ?      ? 
1 1 1   17   12   46 o   41.784   20.305  -9.4916   12.538  -9.4916   12.538   0.0000   0.0000   41.784   20.305  ?   ?       ?      ? 
1 1 1   17   12   47 o   65.400   13.137   4.1443   3.5068   0.2115   3.7294   34.172   10.305   30.643   13.474  100.157   22.557 -69.51405 26.27481 
1 1 1   17   13    1 o  260.934   35.330  187.855   43.084  187.855   43.084   0.0000   0.0000  260.934   35.330  ?   ?       ?      ? 
1 1 1   17   13    2 o  143.231   14.501   49.239   9.1025   72.725   14.394   33.590   11.750  172.477   17.857  113.985   22.853 58.49274 29.00248 
1 1 1   17   13    3 o   55.594   11.870   7.5943   3.3339   7.4296   4.5238   7.7902   4.9324   54.895   16.385   56.292   17.179 -1.396755 23.74013 
1 1 1   17   13    4 o  173.029   15.507   88.693   9.3686  102.033   10.939   51.968   18.149  207.046   11.304  139.011   28.880 68.03484 31.01352 
1 1 1   17   13    5 o  262.985   15.240  172.594   18.729  170.845   26.532  174.331   26.442  261.537   21.707  264.434   21.396 -2.896973 30.47932 
1 1 1   17   13    6 o  197.028   13.344   88.058   10.924   80.038   12.584  112.579   22.006  182.156   14.782  211.901   22.221 -29.74533 26.68852 
1 1 1   17   13    7 o  234.387   15.489  128.041   15.026  117.716   17.314  159.546   30.243  219.805   16.854  248.970   25.991 -29.16554 30.97764 
1 1 1   17   13    8 o  147.395   12.432   51.116   7.3434   49.208   8.3869   57.384   15.201  143.389   12.515  151.400   21.484 -8.011108 24.86322 
1 1 1   17   13    9 o   73.984   13.671   14.338   4.2004   15.072   4.6560   11.131   9.7353   79.315   12.561   68.653   24.287 10.66180 27.34268 
1 1 1   17   13   10 o  147.860   11.786   45.781   7.0098   39.360   7.8832   70.037   15.322  127.920   13.186  167.800   19.538 -39.88004 23.57104 
1 1 1   17   13   11 o  228.315   16.928  129.599   17.049  120.690   20.673  148.544   30.147  219.527   20.150  237.103   27.206 -17.57642 33.85534 
1 1 1   17   13   12 o  178.684   17.949   78.963   14.989   78.963   14.989   0.0000   0.0000  178.684   17.949  ?   ?       ?      ? 
1 1 1   17   13   13 o  115.837   14.808   34.432   7.4859   34.738   9.3645   33.889   12.460  118.899   16.852  112.775   24.353 6.124474 29.61541 
1 1 1   17   13   14 o  119.866   18.064   38.867   9.8076   33.533   14.265   43.649   13.506  110.545   27.676  129.186   23.223 -18.64157 36.12835 
1 1 1   17   13   15 o  135.344   18.154   48.674   11.057   50.853   15.955   46.660   15.338  138.359   25.618  132.330   25.727 6.028610 36.30704 
1 1 1   17   13   16 o  109.651   14.426   27.774   6.9428   21.596   8.4108   40.985   12.300   91.419   20.222  127.884   20.580 -36.46523 28.85288 
1 1 1   17   13   17 o  231.079   17.655  134.745   18.084  126.992   22.094  150.481   31.478  224.566   21.052  237.591   28.349 -13.02509 35.31060 
1 1 1   17   13   18 o  179.038   18.987   84.812   15.879   81.515   22.087   88.339   22.846  175.363   26.950  182.713   26.754 -7.349747 37.97477 
1 1 1   17   13   19 o  128.426   16.638   44.370   8.9862   46.502   10.941   39.953   15.752  137.235   17.059  119.616   28.570 17.61848 33.27576 
1 1 1   17   13   20 o   93.258   16.409   24.567   7.2319   28.516   8.8241   16.489   12.621  107.143   17.622   79.372   27.686 27.77120 32.81863 
1 1 1   17   13   21 o  195.515   17.858  100.981   15.282  100.733   18.723  101.475   26.448  199.380   20.094  191.651   29.528 7.729080 35.71668 
1 1 1   17   13   22 o  217.109   17.277  121.504   16.624  115.546   20.361  133.419   28.793  212.998   20.454  221.221   27.850 -8.222672 34.55367 
1 1 1   17   13   23 o   71.056   16.275   13.378   6.0039   14.578   7.1225   10.432   11.160   74.432   20.033   67.679   25.654 6.753227 32.54955 
1 1 1   17   13   24 o   51.822   14.712   3.9855   5.6486   7.3807   6.8548  -3.1977   9.9706   56.589   20.341   47.055   21.262 9.534737 29.42468 
1 1 1   17   13   25 o  204.689   15.802  101.868   14.423   85.623   17.490  136.392   25.498  182.658   20.489  226.720   24.064 -44.06227 31.60481 
1 1 1   17   13   26 o  123.107   12.559   37.974   7.1805   44.016   10.483   32.634   9.8552  132.709   16.903  113.506   18.578 19.20365 25.11699 
1 1 1   17   13   27 o   63.988   14.773   10.569   5.0881   9.8620   7.2733   11.246   7.1204   62.373   21.041   65.603   20.741 -3.230373 29.54516 
1 1 1   17   13   28 o   70.493   16.012   14.282   6.2690   2.1583   13.470   17.635   7.0829   59.254   25.841   81.732   18.917 -22.47805 32.02489 
1 1 1   17   13   29 o   50.120   19.181   5.0512   6.2758   0.0000   0.0000   5.0512   6.2758  ?   ?    50.120   19.181      ?      ? 
1 1 1   17   13   31 o   75.304   21.769   15.606   8.0939   15.606   8.0939   0.0000   0.0000   75.304   21.769  ?   ?       ?      ? 
1 1 1   17   13   32 o  121.121   16.626   42.325   8.7792   46.218   11.086   35.779   14.376  133.862   17.721  108.380   28.136 25.48239 33.25152 
1 1 1   17   13   33 o   80.646   15.266   17.847   5.7615   20.272   9.2442   16.306   7.3675   84.350   22.873   76.943   20.223 7.407372 30.53124 
1 1 1   17   13   34 o  144.948   14.098   56.051   9.4087   47.409   13.534   64.135   13.089  132.291   21.890  157.604   17.770 -25.31294 28.19522 
1 1 1   17   13   35 o  107.470   15.087   31.963   7.2962   32.244   10.688   31.718   9.9847  107.367   22.038  107.574   20.611 -0.2064819 30.17428 
1 1 1   17   13   36 o   51.029   15.515   3.3184   6.2129  -0.4351   12.372   4.5843   7.1846   52.430   23.688   49.629   20.044 2.800533 31.03013 
1 1 1   17   13   37 o   63.384   15.597   11.199   5.6973   14.373   8.5024   8.6131   7.6753   69.520   22.729   57.247   21.365 12.27286 31.19430 
1 1 1   17   13   38 o   93.546   15.570   26.170   6.7700   20.838   9.8902   30.872   9.2868   82.109   24.158  104.984   19.650 -22.87473 31.14042 
1 1 1   17   13   39 o   59.581   15.218   9.5795   5.4525   11.157   7.8721   8.1249   7.5593   62.832   21.868   56.330   21.168 6.501854 30.43509 
1 1 1   17   13   40 o   56.752   14.562   6.7657   5.5052   15.993   8.4104  -0.1518   7.2819   72.081   22.506   41.422   18.486 30.65885 29.12487 
1 1 1   17   13   41 o   81.557   19.494   24.243   8.6809   25.819   14.375   23.338   10.891   80.912   29.403   82.201   25.602 -1.288918 38.98703 
1 1 1   17   13   42 o   70.358   14.091   14.114   6.3661   28.535   8.8505  -1.3461   9.1639   97.690   20.057   43.026   19.798 54.66393 28.18253 
1 1 1   17   13   43 o   43.635   13.851   0.8041   5.9829  -3.2016   9.3355   3.5962   7.7939   41.167   19.292   46.103   19.881 -4.935318 27.70278 
1 1 1   17   13   44 o   35.308   16.685  -4.4951   7.2461   0.0000   0.0000  -4.4951   7.2461  ?   ?    35.308   16.685      ?      ? 
1 1 1   17   13   45 o   54.379   14.482   9.1358   5.8922  -6.6592   12.653   13.509   6.6582   43.556   20.978   65.203   19.970 -21.64657 28.96355 
1 1 1   17   13   46 o   43.276   11.401   5.0726   3.2387   6.7133   3.9897   1.9024   5.5460   48.136   15.559   38.416   16.668 9.720078 22.80121 
1 1 1   17   14    0 o  102.471   12.070   27.005   7.4927   27.005   7.4927   27.005   7.4927  102.471   17.070  102.471   17.070 -0.000000 0.000000 
1 1 1   17   14    1 o  113.263   10.640   31.054   5.6184   28.213   7.7418   34.216   8.1664  107.711   15.379  118.816   14.707 -11.10492 21.27932 
1 1 1   17   14    2 o   81.744   13.751   19.057   4.4660   11.890   10.359   20.693   4.9496   70.424   25.038   93.065   11.380 -22.64051 27.50276 
1 1 1   17   14    3 o   84.452   13.553   16.092   4.5423   23.225   9.7246   14.102   5.1372   93.943   22.455   74.961   15.184 18.98196 27.10686 
1 1 1   17   14    4 o  212.054   14.559  110.356   12.497  118.255   25.100  107.752   14.411  213.322   25.176  210.786   14.629 2.536377 29.11746 
1 1 1   17   14    5 o  135.461   11.069   46.003   5.9774   42.192   11.837   47.307   6.9252  130.027   19.479  140.895   10.517 -10.86830 22.13716 
1 1 1   17   14    6 o  212.530   13.583  112.587   13.482  107.443   18.957  117.853   19.178  207.371   19.560  217.688   18.851 -10.31673 27.16525 
1 1 1   17   14    7 o  106.840   11.263   28.411   5.2690   19.182   7.2188   38.934   7.7084   86.532   18.416  127.148   12.972 -40.61598 22.52573 
1 1 1   17   14    8 o  135.360   10.808   44.637   6.7585   36.393   9.3534   53.645   9.7767  121.848   16.425  148.872   14.052 -27.02361 21.61573 
1 1 1   17   14    9 o   93.146   11.136   21.424   4.7344   21.161   6.4555   21.731   6.9645   93.349   14.797   92.942   16.645 0.4066620 22.27118 
1 1 1   17   14   10 o  237.929   14.894  142.642   16.531  133.069   23.332  152.290   23.425  229.322   21.770  246.535   20.331 -17.21323 29.78727 
1 1 1   17   14   11 o  169.316   12.254   70.547   9.6660   76.864   13.696   64.279   13.644  177.252   16.533  161.381   18.090 15.87076 24.50701 
1 1 1   17   14   12 o  137.111   11.602   45.837   7.4252   48.487   10.828   43.483   10.202  140.828   16.451  133.395   16.364 7.433182 23.20444 
1 1 1   17   14   13 o   56.605   15.249   6.2616   5.5979   6.8835   7.9363   5.6458   7.8971   57.829   21.697   55.381   21.432 2.447693 30.49738 
1 1 1   17   14   14 o   63.386   13.662   10.787   4.6273   3.6802   8.6711   13.617   5.4715   53.493   21.865   73.278   16.387 -19.78506 27.32481 
1 1 1   17   14   15 o   90.024   12.208   19.724   4.9882   25.856   7.7523   15.390   6.5164  102.715   16.149   77.333   18.313 25.38151 24.41648 
1 1 1   17   14   16 o   74.365   13.398   14.974   5.7312   23.846   7.2739   0.4485   9.3071   98.657   15.776   50.074   21.660 48.58253 26.79588 
1 1 1   17   14   17 o   68.026   12.714   10.598   4.4771   19.974   6.9881   4.0695   5.8309   88.427   17.529   47.625   18.420 40.80137 25.42741 
1 1 1   17   14   18 o  160.173   12.524   64.235   9.1626   80.798   13.167   48.685   12.758  181.465   15.526  138.880   19.657 42.58481 25.04875 
1 1 1   17   14   19 o  105.591   13.131   29.138   6.1595   22.071   9.0393   35.264   8.4159   91.177   21.553  120.006   15.006 -28.82905 26.26255 
1 1 1   17   14   20 o  209.149   14.456  111.543   14.124  108.280   20.013  114.782   19.935  205.786   20.809  212.512   20.072 -6.725464 28.91247 
1 1 1   17   14   21 o  101.626   15.439   26.165   6.9968   20.816   8.8616   35.018   11.401   88.294   21.643  114.957   22.023 -26.66293 30.87782 
1 1 1   17   14   22 o  210.884   21.248  134.327   17.692  153.952   21.818   96.652   30.231  246.797   18.917  174.972   38.053 71.82494 42.49557 
1 1 1   17   14   23 o  160.364   15.086   65.479   10.981   62.143   13.847   71.134   18.027  156.606   18.919  164.122   23.503 -7.515915 30.17136 
1 1 1   17   14   24 o  167.569   13.069   71.067   10.233   72.579   14.638   69.623   14.309  169.298   18.501  165.840   18.462 3.457397 26.13708 
1 1 1   17   14   25 o   94.561   13.772   25.153   6.1867   10.316   9.0692   38.067   8.4610   64.769   23.382  124.353   14.559 -59.58405 27.54428 
1 1 1   17   14   26 o  189.175   21.901  110.531   16.487   86.000   29.087  122.143   20.012  160.374   39.150  217.975   19.644 -57.60127 43.80164 
1 1 1   17   14   27 o  218.739   22.478  143.222   20.176  133.250   35.372  148.031   24.563  200.873   39.086  236.605   22.213 -35.73119 44.95696 
1 1 1   17   14   28 o  119.648   25.586   40.391   13.874   0.0000   0.0000   40.391   13.874  ?   ?   119.648   25.586      ?      ? 
1 1 1   17   14   29 o  173.025   19.833   85.961   16.035   84.305   22.647   87.626   22.706  171.022   28.334  175.027   27.758 -4.004562 39.66534 
1 1 1   17   14   30 o  129.051   15.681   45.566   8.9070   46.051   11.343   44.787   14.385  133.447   18.187  124.655   25.551 8.792366 31.36297 
1 1 1   17   14   31 o  105.206   13.865   29.098   6.6421   34.403   10.132   25.100   8.7959  114.564   18.924   95.849   20.269 18.71521 27.72991 
1 1 1   17   14   32 o   47.694   13.420   0.1945   4.9178   10.333   7.9257  -6.1526   6.2709   62.718   21.936   32.671   15.464 30.04747 26.83909 
1 1 1   17   14   33 o   48.270   13.601   2.6365   4.7043   8.5951   7.5911  -1.0784   5.9939   58.680   21.360   37.861   16.843 20.81885 27.20182 
1 1 1   17   14   34 o   79.083   15.425   17.848   5.9204   15.755   8.4159   19.897   8.3301   74.175   22.396   83.991   21.215 -9.816551 30.84922 
1 1 1   17   14   35 o  101.472   15.105   29.508   6.9397   26.131   9.9108   32.756   9.7203   94.341   22.744  108.603   19.884 -14.26151 30.21037 
1 1 1   17   14   36 o   84.536   15.575   21.218   6.3037   25.702   9.0370   16.969   8.7975   94.244   21.049   74.827   22.962 19.41749 31.14980 
1 1 1   17   14   37 o   70.319   15.488   14.574   5.7733   11.196   8.4543   17.526   7.9029   62.995   22.595   77.643   21.188 -14.64821 30.97558 
1 1 1   17   14   38 o   78.940   15.710   19.463   6.8897   28.045   9.0813   7.8247   10.575   99.461   20.225   58.420   24.044 41.04177 31.41950 
1 1 1   17   14   39 o   70.950   16.857   16.226   6.6166   16.996   8.8930   15.272   9.9029   73.155   23.185   68.744   24.476 4.411041 33.71396 
1 1 1   17   14   40 o   78.109   16.744   19.876   6.6305   17.219   8.8671   23.246   9.9861   72.608   23.166   83.610   24.182 -11.00134 33.48829 
1 1 1   17   14   41 o   42.199   13.682  -0.9354   6.0518  -9.9585   11.744   2.3269   7.0616   41.027   19.870   43.371   18.813 -2.344048 27.36344 
1 1 1   17   14   42 o   79.828   17.844   24.395   7.6678   19.770   15.173   25.981   8.8860   68.922   28.622   90.733   21.317 -21.81100 35.68833 
1 1 1   17   14   43 o   56.464   22.580   9.7864   9.0195   0.0000   0.0000   9.7864   9.0195  ?   ?    56.464   22.580      ?      ? 
1 1 1   17   14   44 o   39.873   17.475   1.6012   6.2286   0.0000   0.0000   1.6012   6.2286  ?   ?    39.873   17.475      ?      ? 
1 1 1   17   14   45 o   63.308   15.592   13.426   6.4353   4.2753   8.9344   23.292   9.2771   46.627   20.661   79.988   23.358 -33.36149 31.18488 
1 1 1   17   15    0 o  248.458   15.579  153.454   25.121  153.454   25.121  153.454   25.121  248.458   22.032  248.458   22.032 -0.000000 0.000000 
1 1 1   17   15    1 o  103.186   10.643   27.397   4.6836   30.959   5.9785   21.739   7.5360  113.869   11.234   92.503   18.080 21.36617 21.28588 
1 1 1   17   15    2 o   57.246   10.421   8.1803   2.7957   8.9308   4.1752   7.5703   3.7641   59.547   15.008   54.945   14.461 4.602428 20.84165 
1 1 1   17   15    3 o  148.964   11.246   54.100   7.8287   54.853   11.121   53.359   11.023  150.008   15.862  147.919   15.945 2.088562 22.49151 
1 1 1   17   15    4 o  305.793   19.214  247.046   27.175  210.620   38.422  283.508   38.441  280.301   29.330  331.284   24.829 -50.98264 38.42778 
1 1 1   17   15    5 o  280.099   14.485  197.216   18.492  192.540   29.290  200.316   23.845  275.109   22.781  285.089   17.897 -9.980164 28.97042 
1 1 1   17   15    6 o  303.322   19.281  242.964   27.146  271.752   38.366  214.105   38.413  323.678   25.363  282.966   29.047 40.71249 38.56145 
1 1 1   17   15    7 o  193.793   12.813   92.665   11.602   90.165   16.194   95.300   16.629  191.103   18.132  196.483   18.109 -5.379791 25.62641 
1 1 1   17   15    8 o  200.759   16.010  100.080   14.233   94.850   17.379  110.736   24.806  195.404   19.030  206.114   25.752 -10.71077 32.02023 
1 1 1   17   15    9 o  338.626   18.351  295.695   28.578  276.571   36.839  324.598   45.289  327.615   24.060  349.638   27.716 -22.02286 36.70257 
1 1 1   17   15   10 o  160.272   11.459   62.915   8.5636   57.620   11.998   68.414   12.227  153.139   16.764  167.404   15.628 -14.26480 22.91871 
1 1 1   17   15   11 o   70.558   13.931   13.578   4.8834   8.2105   8.3759   16.342   6.0108   60.866   22.394   80.250   16.575 -19.38397 27.86119 
1 1 1   17   15   12 o  128.842   11.903   41.631   6.9905   32.164   10.019   50.612   9.7583  113.435   18.899  144.250   14.475 -30.81508 23.80515 
1 1 1   17   15   13 o  106.995   15.217   32.890   6.9214   21.206   12.033   38.667   8.4610   87.939   26.832  126.050   14.363 -38.11083 30.43397 
1 1 1   17   15   14 o   66.592   13.866   12.262   4.9750   3.7688   8.9793   16.024   5.9762   53.917   22.169   79.268   16.661 -25.35118 27.73170 
1 1 1   17   15   15 o   58.522   14.412   8.1326   4.8673   9.3654   6.7044   6.7588   7.0775   61.305   20.190   55.739   20.573 5.566036 28.82493 
1 1 1   17   15   16 o  187.760   15.427   83.431   12.979   63.271   15.930  123.228   22.383  156.819   21.736  218.702   21.899 -61.88252 30.85448 
1 1 1   17   15   17 o  190.566   13.157   91.138   11.679  101.313   16.827   81.683   16.221  201.326   17.884  179.807   19.304 21.51825 26.31481 
1 1 1   17   15   18 o  137.509   11.928   47.232   7.6115   43.810   11.149   50.219   10.417  132.231   18.040  142.786   15.611 -10.55478 23.85675 
1 1 1   17   15   19 o  235.123   16.289  145.464   17.702  124.037   25.153  166.491   24.917  215.675   24.954  254.571   20.943 -38.89592 32.57776 
1 1 1   17   15   20 o   91.561   15.804   22.002   6.5683   19.657   8.3493   25.811   10.639   85.867   20.984   97.254   23.639 -11.38704 31.60860 
1 1 1   17   15   21 o   46.978   12.912   3.7533   4.2191   0.3137   6.5894   6.1431   5.4926   42.377   18.278   51.579   18.243 -9.202114 25.82391 
1 1 1   17   15   22 o   42.742   12.619   1.6976   4.1646   1.0917   6.4900   2.1217   5.4300   43.290   18.392   42.194   17.281 1.095333 25.23739 
1 1 1   17   15   23 o   66.940   13.199   11.320   5.0013   2.1663   7.2620   19.578   6.8977   46.998   19.683   86.882   17.591 -39.88322 26.39836 
1 1 1   17   15   24 o  105.041   17.258   32.047   7.8388   25.744   14.969   34.429   9.2013   92.949   30.146  117.134   16.808 -24.18475 34.51546 
1 1 1   17   15   25 o   71.135   16.326   14.254   6.2676   6.8498   12.495   16.743   7.2449   63.073   26.066   79.197   19.664 -16.12351 32.65133 
1 1 1   17   15   26 o   92.739   18.993   25.235   8.6934   22.712   13.868   26.867   11.158   87.748   29.045   97.730   24.481 -9.981842 37.98572 
1 1 1   17   15   27 o   62.097   15.421   9.7511   5.8969   13.516   7.4499   3.4346   9.6495   70.624   21.015   53.570   22.575 17.05431 30.84260 
1 1 1   17   15   28 o   57.326   15.620   5.5187   6.3307  -0.9222   8.5862   13.191   9.3711   45.266   20.146   69.387   23.876 -24.12101 31.24007 
1 1 1   17   15   29 o   51.554   19.579   5.8490   6.5082   0.0000   0.0000   5.8490   6.5082  ?   ?    51.554   19.579      ?      ? 
1 1 1   17   15   30 o  112.864   16.081   32.409   8.1347   23.225   10.046   49.899   13.863   90.012   23.594  135.716   21.857 -45.70370 32.16221 
1 1 1   17   15   31 o   86.264   13.486   18.686   5.6041   31.859   8.8115   9.7390   7.2621  111.536   16.904   60.992   21.016 50.54359 26.97110 
1 1 1   17   15   32 o   79.273   13.245   15.389   5.3206   28.483   8.4239   6.6989   6.8628  104.930   17.178   53.616   20.165 51.31376 26.48972 
1 1 1   17   15   33 o   69.526   16.133   14.240   6.4165   18.248   8.2759   8.1989   10.160   79.551   21.672   59.501   23.904 20.04949 32.26553 
1 1 1   17   15   34 o   62.193   14.731   10.266   5.0432   14.984   8.0087   7.1662   6.4921   71.200   21.918   53.186   19.689 18.01367 29.46285 
1 1 1   17   15   35 f   39.480   12.831  -3.0950   5.4582  -1.1436   7.3683  -5.4679   8.1253   40.827   18.378   38.134   17.911 2.692558 25.66263 
1 1 1   17   15   36 o   77.639   16.636   17.465   6.4547   14.186   8.2205   22.736   10.423   69.497   22.320   85.781   24.676 -16.28333 33.27286 
1 1 1   17   15   37 o   48.119   14.377   3.2152   5.7412   6.5075   7.6858  -0.9411   8.6355   52.622   20.908   43.616   19.740 9.006111 28.75446 
1 1 1   17   15   38 o   57.675   15.559   8.9636   5.9659   4.9744   8.0614   13.794   8.8706   49.566   20.747   65.784   23.193 -16.21803 31.11784 
1 1 1   17   15   39 f   79.041   19.168   23.821   8.7709   19.906   15.030   25.842   10.800   71.288   28.921   86.794   25.162 -15.50591 38.33507 
1 1 1   17   15   40 o   77.629   19.319   24.226   9.2580   17.355   15.084   28.379   11.727   66.970   28.224   88.287   26.388 -21.31739 38.63776 
1 1 1   17   15   41 o   54.708   16.446   6.3276   7.1290   15.335   12.025   1.4458   8.8526   64.597   25.987   44.819   20.163 19.77791 32.89127 
1 1 1   17   15   42 o   41.537   17.687   2.6947   6.0260   0.0000   0.0000   2.6947   6.0260  ?   ?    41.537   17.687      ?      ? 
1 1 1   17   15   43 o   45.098   14.256   2.7906   5.8801   2.1754   10.458   3.0750   7.1105   46.804   21.393   43.391   18.850 3.413155 28.51286 
1 1 1   17   15   44 o   73.826   16.251   23.076   7.1784   11.774   14.878   26.505   8.1954   56.664   25.750   90.988   19.833 -34.32388 32.50262 
1 1 1   17   16    0 o  117.329   8.3839   33.552   6.3492   33.552   6.3492   33.552   6.3492  117.329   11.857  117.329   11.857 -0.000000 0.000000 
1 1 1   17   16    1 o  131.865   11.564   43.192   7.0182   35.762   10.087   50.164   9.7712  120.077   17.974  143.653   14.554 -23.57576 23.12799 
1 1 1   17   16    2 o  203.182   10.475   97.725   9.7978   84.462   12.603  117.987   15.578  186.431   14.464  219.933   15.156 -33.50157 20.95028 
1 1 1   17   16    3 o  134.548   9.8507   45.284   5.9726   52.161   7.9214   36.223   9.0921  147.547   11.488  121.549   16.006 25.99784 19.70130 
1 1 1   17   16    4 o   85.720   9.5051   18.162   3.5340   26.569   5.2208   11.052   4.8013  105.491   10.590   65.949   15.788 39.54234 19.01018 
1 1 1   17   16    5 o  217.013   11.900  111.691   11.814   87.121   15.196  149.237   18.785  187.650   17.328  246.377   16.314 -58.72688 23.79946 
1 1 1   17   16    6 o  143.353   9.9994   49.454   6.5470   47.759   8.3555   52.151   10.537  140.728   12.704  145.979   15.445 -5.250336 19.99874 
1 1 1   17   16    7 o  155.964   10.018   57.374   7.1666   50.376   9.1260   68.631   11.575  144.191   13.543  167.738   14.766 -23.54755 20.03572 
1 1 1   17   16    8 o  185.452   15.804   88.953   12.789   89.970   15.661   86.917   22.156  190.302   17.609  180.602   26.250 9.699677 31.60888 
1 1 1   17   16    9 o  123.365   10.612   37.327   6.0955   39.124   8.4169   35.346   8.8393  126.781   14.206  119.949   15.768 6.831879 21.22332 
1 1 1   17   16   10 o  225.286   18.058  134.242   17.857  135.708   30.788  133.499   21.920  221.372   29.758  229.199   20.464 -7.827240 36.11558 
1 1 1   17   16   11 o  216.357   22.902  148.322   18.955   91.422   32.487  177.690   23.339  166.712   41.780  266.003   18.774 -99.29117 45.80422 
1 1 1   17   16   12 o  269.250   20.481  199.064   24.138  200.902   41.609  198.131   29.635  262.555   33.910  275.945   22.979 -13.39050 40.96268 
1 1 1   17   16   13 o  105.370   15.164   32.256   6.7997   20.472   11.933   37.923   8.2746   86.059   26.798  124.681   14.200 -38.62174 30.32785 
1 1 1   17   16   14 o   63.952   13.451   10.073   4.2625   13.236   6.8444   8.0687   5.4480   71.056   19.847   56.849   18.161 14.20665 26.90228 
1 1 1   17   16   15 o  145.916   11.954   52.748   8.1333   57.898   11.885   48.212   11.154  152.721   16.651  139.111   17.157 13.61000 23.90884 
1 1 1   17   16   16 o  165.922   15.927   70.402   11.771   67.171   14.500   76.647   20.158  162.911   19.045  168.932   25.533 -6.021469 31.85333 
1 1 1   17   16   17 o  138.030   11.105   46.516   7.0982   56.235   10.646   38.737   9.5244  151.152   15.070  124.908   16.316 26.24457 22.21045 
1 1 1   17   16   18 o   73.154   13.628   14.654   4.8559   9.8214   7.6275   17.947   6.2969   62.686   21.542   83.623   16.697 -20.93657 27.25536 
1 1 1   17   16   19 o  107.158   12.052   28.740   5.8716   33.560   8.8045   24.879   7.8795  116.119   16.224   98.198   17.826 17.92157 24.10371 
1 1 1   17   16   20 o   93.489   13.154   22.746   5.5899   20.997   8.3914   24.141   7.4950   88.600   20.648   98.377   16.302 -9.777367 26.30741 
1 1 1   17   16   21 o  182.709   16.573   87.367   13.210   94.138   23.420   84.209   15.997  183.767   27.270  181.650   18.844 2.116776 33.14690 
1 1 1   17   16   22 o   88.567   15.482   24.780   7.0929   6.3556   13.286   32.126   8.3884   63.586   26.626  113.549   15.807 -49.96294 30.96458 
1 1 1   17   16   23 o   63.101   15.622   8.6860   6.8830  -6.1812   11.435   17.134   8.6195   47.142   21.842   79.060   22.340 -31.91724 31.24320 
1 1 1   17   16   24 o  125.090   19.351   46.337   11.178   36.021   16.965   54.250   14.859  107.439   31.649  142.741   22.274 -35.30151 38.70119 
1 1 1   17   16   25 o  104.771   15.704   29.646   7.2948   27.634   9.2820   32.896   11.797  101.361   20.302  108.181   23.965 -6.819969 31.40864 
1 1 1   17   16   26 o   57.667   15.425   6.9225   5.7251   3.6249   7.4297   11.742   8.9824   49.107   20.175   66.227   23.340 -17.12061 30.85094 
1 1 1   17   16   27 o   80.241   16.490   17.451   6.3100   22.624   10.791   14.762   7.7785   87.702   25.070   72.780   21.427 14.92175 32.97958 
1 1 1   17   16   28 o   59.104   16.121   7.5767   5.8290   10.047   10.905   6.5885   6.8970   64.459   25.118   53.749   20.215 10.71012 32.24189 
1 1 1   17   16   29 o   48.778   14.026   3.8111   4.9087   4.6425   7.8746   3.2827   6.2776   51.597   20.933   45.958   18.674 5.639076 28.05240 
1 1 1   17   16   30 f   57.351   14.455   8.4444   4.9415   5.8491   8.0558   10.010   6.2569   53.686   21.382   61.015   19.459 -7.328915 28.91098 
1 1 1   17   16   31 o  104.071   14.600   32.473   6.8407   18.263   10.392   43.337   9.0870   77.652   25.112  130.491   14.900 -52.83920 29.19982 
1 1 1   17   16   32 o   74.641   15.151   15.922   5.4618   18.670   8.7588   14.173   6.9865   79.009   22.588   70.273   20.199 8.736160 30.30163 
1 1 1   17   16   33 o   54.845   21.516   7.2545   8.0433   7.2545   8.0433   0.0000   0.0000   54.845   21.516  ?   ?       ?      ? 
1 1 1   17   16   34 o   63.201   15.736   10.931   6.3169   16.484   8.3916   3.6694   9.5959   74.649   22.324   51.752   22.185 22.89695 31.47293 
1 1 1   17   16   35 o  152.294   17.108   68.010   11.339   64.378   14.073   74.730   19.142  152.304   19.771  152.285   27.925 0.1887512E-01 34.21549 
1 1 1   17   16   36 o   75.441   18.193   19.904   8.0854   13.887   12.821   23.877   10.418   65.746   26.698   85.137   24.722 -19.39133 36.38615 
1 1 1   17   16   37 o   65.095   16.709   11.265   5.7169   21.011   11.992   8.3978   6.5036   75.816   26.941   54.375   19.774 21.44124 33.41879 
1 1 1   17   16   38 o   43.374   13.837   1.3223   5.3004  -6.6266   12.577   3.0390   5.8448   44.496   21.295   42.252   17.674 2.244480 27.67396 
1 1 1   17   16   39 f   52.718   16.354   6.0060   7.4403   7.1098   12.728   5.4329   9.1704   55.152   24.539   50.283   21.625 4.868622 32.70768 
1 1 1   17   16   40 o   49.523   13.679   4.2544   5.0499   12.884   7.6911  -2.2850   6.6953   62.844   21.630   36.201   16.752 26.64341 27.35810 
1 1 1   17   16   41 o   68.469   17.113   16.838   6.6426   17.039   12.520   16.760   7.8365   65.880   26.511   71.057   21.647 -5.177498 34.22606 
1 1 1   17   16   42 o   68.575   16.221   18.380   6.6239   11.865   12.217   21.092   7.8832   57.378   24.817   79.772   20.896 -22.39404 32.44260 
1 1 1   17   17    0 o   99.607   9.3314   24.766   5.8424   24.766   5.8424   24.766   5.8424   99.607   13.197   99.607   13.197 -0.000000 0.000000 
1 1 1   17   17    1 o   73.621   11.319   13.690   3.7216   13.209   4.7913   14.422   5.9091   72.374   14.668   74.868   17.244 -2.494530 22.63834 
1 1 1   17   17    2 o   52.885   12.204   6.8145   3.3994   7.0318   4.2601   6.4337   5.6404   53.010   15.918   52.761   18.502 0.2493896 24.40746 
1 1 1   17   17    3 o   92.750   9.8089   19.234   3.9306   31.674   6.7204   12.766   4.8459  114.507   12.558   70.992   15.071 43.51421 19.61771 
1 1 1   17   17    4 o  207.036   13.081  108.422   12.280  103.212   19.555  111.814   15.780  201.004   20.816  213.068   15.847 -12.06371 26.16175 
1 1 1   17   17    5 o  196.343   10.470   94.356   9.5945  100.698   13.672   88.204   13.468  203.081   14.405  189.605   15.198 13.47527 20.94057 
1 1 1   17   17    6 o  233.768   9.6530  131.331   10.452  144.344   16.131  121.912   13.723  243.269   14.188  224.267   13.093 19.00163 19.30603 
1 1 1   17   17    7 o  116.037   11.368   28.500   5.4170   23.989   6.1466   44.191   11.463   99.433   13.227  132.641   18.492 -33.20757 22.73582 
1 1 1   17   17    8 o  168.473   10.719   67.762   8.3072   59.049   10.659   81.245   13.258  155.310   14.685  181.636   15.619 -26.32573 21.43809 
1 1 1   17   17    9 o  221.658   12.459  121.198   12.679  114.715   16.300  131.132   20.176  215.361   16.195  227.955   18.939 -12.59390 24.91875 
1 1 1   17   17   10 f  112.110   12.156   31.865   6.1031   25.227   8.5509   38.758   8.7136   98.509   19.264  125.710   14.832 -27.20077 24.31175 
1 1 1   17   17   11 o  144.179   15.375   55.314   9.3239   50.847   16.034   57.595   11.461  135.799   26.214  152.559   16.074 -16.76030 30.75005 
1 1 1   17   17   12 o  181.793   18.370   95.423   13.409   72.033   22.962  107.525   16.517  155.933   32.559  207.653   17.020 -51.71957 36.73958 
1 1 1   17   17   13 o  159.651   16.157   68.920   10.761   62.165   18.586   72.326   13.198  148.813   27.745  170.490   16.564 -21.67670 32.31324 
1 1 1   17   17   14 o   81.080   14.433   18.672   5.4685   11.869   10.138   21.465   6.4944   68.782   24.735   93.379   14.882 -24.59647 28.86667 
1 1 1   17   17   15 o  135.406   18.118   50.965   11.067   36.366   15.541   65.983   15.763  111.333   29.424  159.480   21.149 -48.14698 36.23633 
1 1 1   17   17   16 o  148.103   13.894   52.883   9.2704   44.164   11.402   69.891   15.924  131.921   18.493  164.286   20.740 -32.36533 27.78764 
1 1 1   17   17   17 o  232.919   19.514  141.940   20.484  115.868   25.212  192.573   35.135  205.234   26.286  260.604   28.848 -55.36995 39.02770 
1 1 1   17   17   18 o   98.698   16.241   29.368   7.1210   18.375   13.484   33.620   8.3859   81.006   28.590  116.389   15.417 -35.38332 32.48212 
1 1 1   17   17   19 o  177.158   20.229   94.298   14.250   75.417   25.399  102.971   17.215  153.180   36.075  201.136   18.313 -47.95540 40.45722 
1 1 1   17   17   20 f  153.906   18.087   70.661   10.990   52.206   19.662   79.047   13.254  129.915   32.472  177.897   15.942 -47.98222 36.17439 
1 1 1   17   17   21 o   98.403   17.273   28.806   9.0569   11.287   13.901   41.727   11.938   70.184   28.044  126.622   20.174 -56.43739 34.54658 
1 1 1   17   17   22 o   73.858   15.703   15.153   5.9251   17.136   7.8787   12.572   8.9895   79.204   20.959   68.511   23.390 10.69342 31.40666 
1 1 1   17   17   23 o   47.254   13.791   3.0420   4.9309   2.8409   6.7729   3.2689   7.1926   46.419   19.187   48.090   19.815 -1.670609 27.58242 
1 1 1   17   17   24 o  166.461   16.300   72.882   12.355   61.189   15.484   93.373   20.497  149.955   22.094  182.966   23.971 -33.01118 32.59938 
1 1 1   17   17   25 o  100.955   14.078   30.503   6.5766   12.362   9.8757   44.958   8.8156   67.615   24.401  134.296   14.046 -66.68083 28.15509 
1 1 1   17   17   26 o   70.021   14.822   13.593   5.6061   7.3445   8.3422   18.739   7.5704   57.152   22.052   82.890   19.812 -25.73810 29.64473 
1 1 1   17   17   27 o   64.877   16.506   10.507   6.6416   15.926   9.5892   5.5094   9.2078   74.589   24.122   55.164   22.538 19.42588 33.01274 
1 1 1   17   17   28 o   64.405   14.889   11.683   5.7752   2.4259   9.9435   16.396   7.0945   51.738   22.384   77.072   19.639 -25.33407 29.77804 
1 1 1   17   17   29 o   56.868   14.752   6.8594   5.8243   14.093   7.9869  -1.3560   8.5116   69.975   21.946   43.760   19.721 26.21517 29.50463 
1 1 1   17   17   30 o   70.715   14.789   13.516   5.4124   21.347   8.4924   8.1591   7.0238   85.601   21.311   55.829   20.512 29.77165 29.57874 
1 1 1   17   17   31 o   96.421   16.489   28.354   7.2814   29.698   9.3777   26.312   11.555  102.229   20.344   90.612   25.956 11.61642 32.97839 
1 1 1   17   17   32 o   59.021   15.304   8.3285   5.9090   2.5108   8.1958   14.626   8.5272   47.713   20.479   70.329   22.747 -22.61655 30.60784 
1 1 1   17   17   33 o   63.825   15.434   10.496   6.1228   2.9216   8.4201   18.994   8.9192   48.416   20.769   79.234   22.836 -30.81750 30.86779 
1 1 1   17   17   34 o   51.238   15.799   3.6280   6.4607   6.9385   12.262   2.3556   7.6015   57.198   24.801   45.277   19.580 11.92147 31.59820 
1 1 1   17   17   35 o   60.790   15.794   6.6693   5.4236   22.903   11.263   1.7683   6.1884   80.495   26.152   41.085   17.717 39.40976 31.58783 
1 1 1   17   17   36 o   82.510   16.583   24.372   6.8647   17.767   13.413   26.716   7.9906   68.950   27.548   96.070   18.468 -27.11993 33.16587 
1 1 1   17   17   37 o   47.995   15.405  -1.1817   7.2083   10.763   12.268  -7.4803   8.9083   59.126   25.208   36.864   17.716 22.26183 30.81054 
1 1 1   17   17   38 f   65.252   16.307   14.413   6.1752   13.423   8.2764   15.657   9.2747   63.484   22.400   67.020   23.706 -3.535351 32.61489 
1 1 1   17   17   39 o   78.458   16.772   20.149   6.9677   12.200   8.9969   32.063   11.014   60.463   23.007   96.453   24.412 -35.99083 33.54471 
1 1 1   17   17   40 o   59.224   15.111   10.864   5.9910   3.1120   8.4558   18.678   8.4895   45.324   20.091   73.123   22.576 -27.79865 30.22142 
1 1 1   17   17   41 o   58.215   23.362   12.528   9.6926   0.0000   0.0000   12.528   9.6926  ?   ?    58.215   23.362      ?      ? 
1 1 1   17   18    0 o   22.819   10.507  -0.2001   3.8332  -0.2001   3.8332  -0.2001   3.8332   22.819   14.859   22.819   14.859 -0.000000 0.000000 
1 1 1   17   18    1 o   99.973   10.379   23.772   4.6273   18.088   5.9471   32.492   7.3664   84.485   15.638  115.462   13.651 -30.97783 20.75817 
1 1 1   17   18    2 o  126.794   9.5855   38.587   5.6075   35.753   7.2717   42.744   8.8075  121.410   12.816  132.177   14.258 -10.76640 19.17100 
1 1 1   17   18    3 o  157.021   10.552   60.839   7.5355   61.773   9.6711   59.397   12.022  159.503   12.974  154.539   16.646 4.963730 21.10437 
1 1 1   17   18    4 o  179.274   9.6309   79.016   7.9627   65.271   11.313   92.509   11.209  162.984   14.853  195.563   12.265 -32.57925 19.26183 
1 1 1   17   18    5 o   98.007   8.7664   23.418   3.9598   19.009   5.5776   27.898   5.6227   88.317   13.513  107.697   11.171 -19.37930 17.53286 
1 1 1   17   18    6 o  127.378   8.0032   39.164   4.6882   38.475   7.2664   39.656   6.1362  126.063   12.334  128.693   10.202 -2.630249 16.00638 
1 1 1   17   18    7 o   79.880   9.2646   15.805   3.3589   14.702   4.9039   16.780   4.6102   76.406   14.258   83.354   11.834 -6.947968 18.52924 
1 1 1   17   18    8 o  154.603   10.345   57.440   7.3291   52.467   9.3353   65.429   11.833  146.581   13.627  162.624   15.569 -16.04320 20.69053 
1 1 1   17   18    9 o  105.250   12.171   28.314   5.7708   23.653   8.2109   32.864   8.1124   95.069   19.143  115.432   15.038 -20.36224 24.34276 
1 1 1   17   18   10 o  103.581   11.979   27.094   5.6582   30.045   8.1902   24.400   7.8259  109.978   15.935   97.185   17.890 12.79288 23.95735 
1 1 1   17   18   11 o  109.238   15.028   35.862   7.0343   19.106   11.735   45.260   8.7883   82.540   26.684  135.936   13.833 -53.39601 30.05626 
1 1 1   17   18   12 o   98.268   14.225   26.350   6.0796   21.868   10.322   28.730   7.5229   88.678   24.222  107.858   14.924 -19.18003 28.45022 
1 1 1   17   18   13 o  142.790   12.068   51.743   7.9350   43.075   11.376   59.956   11.073  130.001   18.725  155.579   15.229 -25.57899 24.13601 
1 1 1   17   18   14 o  194.658   18.783   96.740   17.087   0.0000   0.0000   96.740   17.087  ?   ?   194.658   18.783      ?      ? 
1 1 1   17   18   15 o  121.946   23.297   40.581   12.793   0.0000   0.0000   40.581   12.793  ?   ?   121.946   23.297      ?      ? 
1 1 1   17   18   16 o   91.174   16.744   21.406   6.8719   0.0000   0.0000   21.406   6.8719  ?   ?    91.174   16.744      ?      ? 
1 1 1   17   18   17 o   73.365   22.495   14.667   8.4453   0.0000   0.0000   14.667   8.4453  ?   ?    73.365   22.495      ?      ? 
1 1 1   17   18   18 o   41.517   17.692   0.9483   6.0376   0.0000   0.0000   0.9483   6.0376  ?   ?    41.517   17.692      ?      ? 
1 1 1   17   18   19 o   52.292   14.005   5.4354   4.9310   8.9651   6.7622   1.4274   7.2059   59.302   20.287   45.281   19.313 14.02052 28.00941 
1 1 1   17   18   20 o   58.713   13.964   6.4913   5.1313  -0.5938   6.7425   16.243   7.9101   40.880   18.040   76.547   21.321 -35.66725 27.92860 
1 1 1   17   18   21 o  121.642   15.731   40.800   8.4706   41.129   10.819   40.279   13.616  125.668   18.421  117.615   25.506 8.053749 31.46259 
1 1 1   17   18   22 o  120.417   12.122   36.948   6.7731   39.888   10.339   34.738   8.9647  124.138   17.821  116.696   16.438 7.442123 24.24398 
1 1 1   17   18   23 o  140.453   12.510   50.777   8.1962   55.145   11.860   46.784   11.340  146.495   17.323  134.411   18.052 12.08295 25.01922 
1 1 1   17   18   24 o  145.760   13.541   57.108   8.6602   42.582   12.426   70.829   12.076  123.994   22.261  167.527   15.425 -43.53344 27.08223 
1 1 1   17   18   25 f  151.545   13.321   60.402   9.4260   63.872   13.528   57.128   13.141  156.028   18.552  147.062   19.120 8.965927 26.64117 
1 1 1   17   18   26 o   67.388   14.288   13.137   5.9227  -0.4904   10.055   20.376   7.3291   48.298   21.626   86.478   18.680 -38.18001 28.57700 
1 1 1   17   18   27 o   62.133   13.404   9.9631   6.0187 -12.8201   10.965   19.789   7.2005   39.650   19.202   84.615   18.706 -44.96510 26.80702 
1 1 1   17   18   28 o   66.532   15.382   12.776   6.1926   19.375   8.2510   4.2642   9.3709   81.193   21.431   51.870   22.071 29.32227 30.76354 
1 1 1   17   18   29 o  130.892   15.724   45.883   9.0942   34.892   11.255   66.552   15.435  108.659   22.887  153.126   21.568 -44.46668 31.44849 
1 1 1   17   18   30 o   50.822   15.842   1.2602   7.1022   5.7741   11.655  -1.4062   8.9576   57.247   24.492   44.398   20.099 12.84925 31.68311 
1 1 1   17   18   31 o   66.065   17.203   9.3988   7.1969   23.917   12.318   1.8753   8.8677   84.417   27.344   47.713   20.883 36.70415 34.40627 
1 1 1   17   18   32 o  120.302   16.204   39.474   8.1790   59.544   15.397   31.584   9.6537  137.024   24.963  103.580   20.667 33.44389 32.40802 
1 1 1   17   18   33 o  116.080   21.784   51.478   11.968   52.716   18.109   50.519   15.948  114.163   32.424  117.998   29.101 -3.834175 43.56826 
1 1 1   17   18   34 o  123.947   18.883   64.747   11.383   33.096   20.890   78.115   13.576   80.596   33.537  167.297   17.364 -86.70089 37.76538 
1 1 1   17   18   35 o   72.686   21.878   17.187   8.0401   17.187   8.0401   0.0000   0.0000   72.686   21.878  ?   ?       ?      ? 
1 1 1   17   18   36 o   68.825   13.975   14.672   6.4899   27.652   8.5059  -3.4131   10.040   95.533   19.706   42.118   19.823 53.41507 27.95084 
1 1 1   17   18   37 o   38.437   12.609  -2.2737   5.4137  -1.3261   7.2943  -3.4357   8.0777   38.662   17.743   38.212   17.919 0.4499130 25.21763 
1 1 1   17   18   38 o  103.025   16.814   40.229   8.5354   49.793   10.939   25.343   13.647  130.415   17.948   75.634   28.438 54.78077 33.62768 
1 1 1   17   18   39 o   70.591   17.143   20.420   8.2589   6.3134   13.018   29.922   10.684   51.784   23.743   89.399   24.736 -37.61541 34.28654 
1 1 1   17   19    0 o   31.058   12.505   3.1187   4.0084   3.1187   4.0084   3.1187   4.0084   31.058   17.684   31.058   17.684 -0.000000 0.000000 
1 1 1   17   19    1 o   76.665   9.8879   14.683   3.4526   12.933   4.8817   16.435   4.8837   71.146   15.146   82.184   12.715 -11.03743 19.77583 
1 1 1   17   19    2 o  172.748   10.209   73.617   8.1676   85.729   11.683   62.040   11.422  187.318   13.346  158.179   15.451 29.13860 20.41714 
1 1 1   17   19    3 o   82.037   11.121   17.295   4.0071   18.153   5.0577   15.847   6.5673   86.417   12.523   77.658   18.381 8.759979 22.24122 
1 1 1   17   19    4 o  121.906   11.606   39.732   5.8919   45.523   7.4406   29.997   9.6476  137.215   11.603  106.596   20.103 30.61882 23.21101 
1 1 1   17   19    5 o  144.715   10.079   49.599   6.6736   42.371   8.4505   61.579   10.879  131.476   13.753  157.954   14.737 -26.47784 20.15722 
1 1 1   17   19    6 o  245.502   11.179  150.215   12.668  148.435   19.384  151.542   16.737  242.987   17.070  248.016   14.440 -5.029694 22.35805 
1 1 1   17   19    7 o   78.615   9.4605   15.234   3.3735   18.133   4.9636   12.746   4.5990   86.395   12.293   70.835   14.383 15.55990 18.92091 
1 1 1   17   19    8 o   70.215   9.0741   12.271   2.7999   12.004   4.6031   12.427   3.5275   68.544   14.802   71.886   10.500 -3.342407 18.14813 
1 1 1   17   19    9 f  139.118   14.905   48.395   9.1236   57.426   16.314   44.284   11.006  146.048   23.901  132.189   17.815 13.85808 29.80958 
1 1 1   17   19   10 o  262.488   24.704  187.428   30.306   0.0000   0.0000  187.428   30.306  ?   ?   262.488   24.704      ?      ? 
1 1 1   17   19   11 o  131.399   16.366   43.279   10.050   0.0000   0.0000   43.279   10.050  ?   ?   131.399   16.366      ?      ? 
1 1 1   17   19   12 o   92.188   15.850   26.224   6.5720   14.408   13.369   29.989   7.5468   74.307   28.100  110.068   14.671 -35.76085 31.69934 
1 1 1   17   19   13 f   93.829   17.423   23.995   7.5847   29.988   12.345   20.361   9.6132  102.262   25.824   85.395   23.396 16.86763 34.84598 
1 1 1   17   19   14 o  138.699   17.167   51.854   10.602   73.697   16.200   35.487   14.023  167.453   20.701  109.945   27.391 57.50786 34.33364 
1 1 1   17   19   15 o  126.811   14.624   40.227   8.1971   29.262   10.325   58.920   13.481  103.055   22.100  150.567   19.159 -47.51185 29.24860 
1 1 1   17   19   16 o   98.011   12.616   30.523   6.6701   53.461   8.7402  -1.4656   10.322  147.472   12.681   48.551   21.813 98.92125 25.23143 
1 1 1   17   19   17 o   73.835   15.511   15.271   5.7656   13.835   8.2444   16.646   8.0662   70.491   22.322   77.179   21.542 -6.687866 31.02130 
1 1 1   17   19   18 o   49.580   13.610  -1.4744   4.0543   14.675   9.4375  -5.1293   4.4897   72.045   23.965   27.115   12.907 44.93012 27.21982 
1 1 1   17   19   19 o   57.085   15.199   7.7716   5.2635   4.7523   10.395   8.8126   6.1037   56.015   23.509   58.155   19.270 -2.140175 30.39729 
1 1 1   17   19   20 o   43.520   13.601  -1.9804   4.8920   4.7875   9.3709  -4.5157   5.7356   54.457   22.544   32.584   15.222 21.87311 27.20193 
1 1 1   17   19   21 o   76.316   16.630   16.543   6.2207   15.917   11.652   16.792   7.3569   74.446   26.545   78.186   20.041 -3.740829 33.26056 
1 1 1   17   19   22 o   76.188   16.685   15.884   6.1355   19.465   11.318   14.394   7.3014   80.474   26.219   71.902   20.644 8.572380 33.37079 
1 1 1   17   19   23 o  156.348   13.647   66.259   9.7232   53.481   14.128   77.757   13.402  139.172   21.722  173.523   16.526 -34.35057 27.29336 
1 1 1   17   19   24 o  111.095   13.837   33.944   6.9810   31.859   10.192   35.786   9.5811  105.872   21.337  116.318   17.625 -10.44644 27.67453 
1 1 1   17   19   25 o   80.395   16.942   17.580   6.5185   28.401   11.800   12.827   7.8201   94.473   25.936   66.317   21.804 28.15598 33.88308 
1 1 1   17   19   26 o  103.169   19.928   35.588   9.8951   34.065   14.530   36.904   13.513   99.463   29.286  106.875   27.034 -7.412201 39.85662 
1 1 1   17   19   27 o   67.320   17.257   12.290   7.7872   2.5263   11.405   20.818   10.658   53.146   23.457   81.494   25.318 -28.34746 34.51443 
1 1 1   17   19   28 o   94.948   22.302   26.503   9.7277   26.503   9.7277   0.0000   0.0000   94.948   22.302  ?   ?       ?      ? 
1 1 1   17   19   29 o   89.483   30.125   29.671   14.910   29.671   14.910   0.0000   0.0000   89.483   30.125  ?   ?       ?      ? 
1 1 1   17   19   30 o   53.825   16.280   4.8741   7.7711  -3.5349   11.803   11.308   10.325   46.308   21.698   61.342   24.277 -15.03442 32.56048 
1 1 1   17   19   31 o   56.019   16.679   7.9259   7.4830   6.0006   10.879   9.6548   10.309   53.816   23.347   58.222   23.825 -4.405922 33.35751 
1 1 1   17   19   32 o   86.132   30.244   31.017   15.073   31.017   15.073   0.0000   0.0000   86.132   30.244  ?   ?       ?      ? 
1 1 1   17   19   33 o   68.262   22.299   15.406   8.1843   15.406   8.1843   0.0000   0.0000   68.262   22.299  ?   ?       ?      ? 
1 1 1   17   19   34 o   54.040   15.610   7.2118   6.1199   3.6397   7.7116   13.289   10.058   45.879   19.780   62.201   24.155 -16.32241 31.22029 
1 1 1   17   19   35 o   60.512   14.978   11.033   5.3264   16.582   8.2272   7.0296   6.9889   70.349   22.301   50.674   20.000 19.67517 29.95507 
1 1 1   17   19   36 o   42.487   12.907   2.9719   4.6110   1.1975   7.4011   4.0975   5.8948   41.513   18.573   43.461   17.927 -1.947765 25.81360 
1 1 1   17   19   37 o   57.240   15.720   10.788   5.3807   11.957   12.805   10.537   5.9296   57.167   25.055   57.313   18.993 -0.1458893 31.44051 
1 1 1   17   20    0 o  156.577   12.050   61.469   12.095   61.469   12.095   61.469   12.095  156.577   17.041  156.577   17.041 -0.000000 0.000000 
1 1 1   17   20    1 o  103.503   10.797   26.485   5.1929   22.884   7.0736   30.694   7.6476   95.689   15.817  111.316   14.700 -15.62725 21.59372 
1 1 1   17   20    2 o  109.695   10.288   30.455   5.0871   26.540   7.9875   33.127   6.5984  102.681   16.645  116.709   12.097 -14.02740 20.57645 
1 1 1   17   20    3 o  195.821   13.301   98.651   12.097   86.555   17.013  111.021   17.204  182.562   19.940  209.081   17.607 -26.51935 26.60106 
1 1 1   17   20    4 o  162.096   10.933   65.265   8.0962   66.843   12.914   64.244   10.392  162.642   16.989  161.551   13.764 1.090454 21.86540 
1 1 1   17   20    5 o  107.852   11.321   29.144   5.6922   28.868   7.7702   29.463   8.3624  107.552   15.459  108.153   16.544 -0.6016846 22.64257 
1 1 1   17   20    6 o  194.177   12.935   96.685   11.697  105.969   16.626   87.586   16.459  204.211   17.421  184.142   19.125 20.06941 25.87034 
1 1 1   17   20    7 o   74.038   10.409   14.178   3.2274   13.016   5.8966   14.675   3.8564   70.101   17.927   77.974   10.582 -7.873581 20.81780 
1 1 1   17   20    8 o  100.093   13.298   22.556   5.2684   34.607   11.287   19.199   5.9572  112.283   22.295   87.904   14.501 24.37936 26.59590 
1 1 1   17   20    9 o  121.573   15.481   37.110   8.7956   0.0000   0.0000   37.110   8.7956  ?   ?   121.573   15.481      ?      ? 
1 1 1   17   20   10 o   95.976   17.053   25.918   7.5786   22.850   9.9399   30.178   11.712   89.612   23.459  102.340   24.757 -12.72747 34.10663 
1 1 1   17   20   11 o  107.210   17.263   34.028   8.8672   44.437   12.081   21.873   13.056  129.639   19.940   84.781   28.187 44.85770 34.52679 
1 1 1   17   20   12 o   87.919   14.627   20.275   5.8844   15.049   7.5299   28.472   9.4310   73.685   20.901  102.153   20.468 -28.46761 29.25344 
1 1 1   17   20   13 o  217.785   22.775  151.625   20.293  161.238   25.038  133.221   34.644  243.384   22.013  192.186   39.878 51.19745 45.54998 
1 1 1   17   20   14 o  130.372   11.903   43.486   7.2152   43.818   10.758   43.214   9.7276  130.243   17.673  130.501   15.950 -0.2584686 23.80627 
1 1 1   17   20   15 o   92.361   13.809   25.768   6.5322   40.454   8.6469   6.2464   9.9694  127.178   14.548   57.544   23.475 69.63321 27.61713 
1 1 1   17   20   16 f  104.608   12.394   28.609   5.7960   27.673   8.9954   29.274   7.5789  101.268   19.716  107.948   15.023 -6.679642 24.78706 
1 1 1   17   20   17 o  213.778   15.228  124.356   15.011  105.862   21.475  142.025   20.991  195.307   23.527  232.248   19.339 -36.94168 30.45508 
1 1 1   17   20   18 o   92.062   13.594   23.142   5.6242   20.802   8.9571   24.665   7.2263   85.595   22.202   98.528   15.693 -12.93290 27.18875 
1 1 1   17   20   19 o  130.464   13.369   46.201   7.7118   36.919   11.265   54.389   10.580  114.801   21.793  146.126   15.492 -31.32438 26.73815 
1 1 1   17   20   20 o   57.623   13.975   8.7603   4.9100   3.0965   7.8312   12.429   6.3026   48.288   20.343   66.957   19.167 -18.66901 27.94985 
1 1 1   17   20   21 o   56.043   15.949   6.5972   6.1344   4.9207   7.5652   9.8158   10.482   50.402   20.492   61.684   24.446 -11.28170 31.89886 
1 1 1   17   20   22 o  115.712   29.256   45.067   15.831   45.067   15.831   0.0000   0.0000  115.712   29.256  ?   ?       ?      ? 
1 1 1   17   20   23 o   75.330   18.024   17.356   8.2716   26.681   11.616   7.7620   11.782   91.259   25.985   59.402   24.984 31.85750 36.04744 
1 1 1   17   20   24 o  113.770   29.392   43.206   15.739   43.206   15.739   0.0000   0.0000  113.770   29.392  ?   ?       ?      ? 
1 1 1   17   20   25 o  161.947   33.641   92.772   24.629   92.772   24.629   0.0000   0.0000  161.947   33.641  ?   ?       ?      ? 
1 1 1   17   20   26 o  151.579   66.866  428.054   92.550  428.054   92.550   0.0000   0.0000  151.579   66.866  ?   ?       ?      ? 
1 1 1   17   20   27 o   64.691   26.245   13.071   12.377   13.071   12.377   0.0000   0.0000   64.691   26.245  ?   ?       ?      ? 
1 1 1   17   20   28 o   83.267   19.648   25.833   8.9868   24.972   13.852   26.458   11.810   80.182   28.905   86.352   26.622 -6.170082 39.29607 
1 1 1   17   20   29 o   55.213   16.167   6.1936   6.0688   14.748   11.974   3.2364   7.0401   65.506   26.074   44.920   19.122 20.58523 32.33478 
1 1 1   17   20   30 o   74.551   19.270   21.236   8.6937   22.144   13.458   20.587   11.389   74.525   28.191   74.577   26.281 -0.5199432E-01 38.54091 
1 1 1   17   20   31 f   50.656   14.605   6.6036   5.4786   7.7281   7.1543   5.0092   8.5192   52.321   20.357   48.990   20.949 3.330765 29.21062 
1 1 1   17   20   32 o   42.011   12.840   2.2940   4.6660  -0.5957   7.5885   4.0508   5.9167   40.166   18.306   43.857   18.010 -3.691631 25.67987 
1 1 1   17   20   33 o   50.080   14.599   6.1314   5.6974   9.0596   7.6680   2.5226   8.5126   54.748   21.138   45.411   20.143 9.336987 29.19822 
1 1 1   17   20   34 o   54.875   14.706   9.0891   5.1527   12.444   8.0199   6.7307   6.7242   60.518   21.966   49.232   19.558 11.28607 29.41143 
1 1 1   17   20   35 f   72.266   16.932   19.502   6.2842   21.673   13.635   18.917   7.0812   67.977   27.557   76.554   19.683 -8.577812 33.86424 
1 1 1   17   21    0 o   48.527   17.642   8.9843   7.2160   8.9843   7.2160   8.9843   7.2160   48.527   24.950   48.527   24.950 -0.000000 0.000000 
1 1 1   17   21    1 o  101.700   15.817   29.109   7.5378   21.138   10.684   37.009   10.636   84.752   25.154  118.647   19.182 -33.89482 31.63364 
1 1 1   17   21    2 o   90.912   16.085   23.259   7.0046   16.131   9.5863   31.425   10.260   75.043   24.103  106.781   21.306 -31.73845 32.16961 
1 1 1   17   21    3 o   53.647   13.364   6.3161   3.5385   5.6439   3.9593   8.9842   7.8879   47.552   15.508   59.742   21.770 -12.19035 26.72878 
1 1 1   17   21    4 o   50.921   10.861   6.7289   2.8863   8.3982   3.8555   4.6006   4.3534   56.898   14.467   44.943   16.204 11.95431 21.72221 
1 1 1   17   21    5 o  151.346   13.456   60.767   8.2668   61.776   9.6803   58.049   15.888  158.054   13.105  144.638   23.505 13.41589 26.91119 
1 1 1   17   21    6 o   67.436   14.519   11.751   4.4406   11.751   4.4406   0.0000   0.0000   67.436   14.519  ?   ?       ?      ? 
1 1 1   17   21    7 o  119.815   12.545   35.313   7.0247   35.313   7.0247   0.0000   0.0000  119.815   12.545  ?   ?       ?      ? 
1 1 1   17   21    8 f   70.827   15.272   13.034   4.9066   0.0000   0.0000   13.034   4.9066  ?   ?    70.827   15.272      ?      ? 
1 1 1   17   21    9 o  118.915   17.366   41.074   9.6257   58.749   13.779   24.228   13.452  149.186   19.763   88.645   28.561 60.54129 34.73154 
1 1 1   17   21   10 o  117.790   13.471   35.398   5.5902   38.749   12.917   34.625   6.2010  116.287   24.539  119.294   11.122 -3.007179 26.94181 
1 1 1   17   21   11 o  167.708   18.120   72.997   14.202   72.997   14.202   0.0000   0.0000  167.708   18.120  ?   ?       ?      ? 
1 1 1   17   21   12 o  104.290   14.514   27.352   6.7716   20.505   8.4014   40.048   11.440   85.821   21.096  122.760   19.940 -36.93909 29.02837 
1 1 1   17   21   13 f  110.834   14.776   33.093   7.2494   31.718   9.1286   35.439   11.928  110.491   17.678  111.177   23.683 -0.6854248 29.55299 
1 1 1   17   21   14 o  138.005   15.074   47.679   9.0405   32.962   11.152   75.888   15.440  107.441   22.910  168.568   19.598 -61.12664 30.14862 
1 1 1   17   21   15 o  115.810   15.614   36.503   7.8924   32.267   9.8243   44.214   13.254  108.143   20.181  123.478   23.830 -15.33404 31.22709 
1 1 1   17   21   16 o  164.408   20.373   91.208   13.542  105.359   16.707   64.108   23.120  199.346   17.933  129.471   36.588 69.87483 40.74691 
1 1 1   17   21   17 o  152.062   18.388   72.644   11.617   78.721   14.396   61.297   19.672  171.555   17.956  132.569   32.094 38.98515 36.77561 
1 1 1   17   21   18 o  108.783   15.831   36.439   7.5853   41.511   9.5522   27.780   12.480  125.725   16.257   91.842   27.170 33.88316 31.66207 
1 1 1   17   21   19 o   53.838   15.290   5.2598   6.5282  -4.0902   10.304   11.529   8.4377   44.354   20.613   63.322   22.588 -18.96831 30.57984 
1 1 1   17   21   20 o   81.133   15.656   21.225   6.7456   27.584   8.4375   9.9609   11.230  100.026   18.738   62.239   25.086 37.78780 31.31181 
1 1 1   17   21   21 o   95.700   20.728   26.082   9.0023   26.082   9.0023   0.0000   0.0000   95.700   20.728  ?   ?       ?      ? 
1 1 1   17   21   22 o   77.989   16.244   18.601   6.4229   21.135   8.6178   15.433   9.6337   84.845   21.659   71.132   24.214 13.71320 32.48780 
1 1 1   17   21   23 o   44.566   13.608   1.9719   5.1698   1.3549   7.0983   2.6690   7.5444   43.139   18.787   45.994   19.692 -2.855061 27.21667 
1 1 1   17   21   24 f   92.914   25.624   28.895   11.487   0.0000   0.0000   28.895   11.487  ?   ?    92.914   25.624      ?      ? 
1 1 1   17   21   25 o   42.254   19.010  -0.0000   7.8708   0.0000   0.0000  -0.0000   7.8708  ?   ?    42.254   19.010      ?      ? 
1 1 1   17   21   26 f   36.703   16.645  -1.1348   6.1758   0.0000   0.0000  -1.1348   6.1758  ?   ?    36.703   16.645      ?      ? 
1 1 1   17   21   27 o   96.009   19.747   27.546   8.5646   0.0000   0.0000   27.546   8.5646  ?   ?    96.009   19.747      ?      ? 
1 1 1   17   21   28 o   77.048   18.449   22.093   7.9233   20.092   11.005   24.247   11.417   73.551   25.841   80.544   26.338 -6.992577 36.89837 
1 1 1   17   21   29 o   50.396   14.361   6.6087   5.3928   2.1281   9.0711   9.0580   6.7067   45.924   20.554   54.868   20.061 -8.943562 28.72131 
1 1 1   17   21   30 o   49.874   14.001   6.2301   5.4643  -4.2808   10.277   10.373   6.4520   41.787   19.784   57.962   19.816 -16.17542 28.00145 
1 1 1   17   21   31 o   68.649   15.536   15.845   5.6204   16.006   8.4466   15.718   7.5292   68.178   22.672   69.121   21.248 -0.9435425 31.07214 
1 1 1   17   21   32 o   32.962   11.083  -4.5762   4.6509  -6.7480   7.2391  -3.0496   6.0693   32.764   15.802   33.160   15.545 -0.3957405 22.16620 
1 1 1   17   21   33 o   37.716   12.100  -1.0918   5.0518 -15.9149   10.118   3.8309   5.8306   33.304   16.568   42.129   17.640 -8.825031 24.20023 
1 1 1   17   22    0 o   37.324   13.284   5.0919   4.0416   5.0919   4.0416   5.0919   4.0416   37.324   18.787   37.324   18.787 -0.000000 0.000000 
1 1 1   17   22    1 o  124.228   9.6940   37.734   5.5266   42.503   8.8644   34.701   7.0685  130.004   14.590  118.452   12.769 11.55132 19.38810 
1 1 1   17   22    2 o  143.364   10.288   51.529   6.7436   52.438   10.710   50.932   8.6803  143.357   15.986  143.371   12.955 -0.1377869E-01 20.57586 
1 1 1   17   22    3 o  156.049   9.7751   60.648   6.6739   61.329   11.661   60.316   8.1387  154.891   16.109  157.207   11.077 -2.315430 19.55016 
1 1 1   17   22    4 o  136.815   8.5841   44.694   5.2167   50.696   9.1041   41.760   6.3652  142.508   13.670  131.123   10.387 11.38411 17.16828 
1 1 1   17   22    5 o  190.677   13.467   96.392   11.994   94.905   17.135   97.820   16.795  188.786   19.421  192.569   18.662 -3.783478 26.93405 
1 1 1   17   22    6 o   63.847   11.367   10.812   3.0474   10.376   6.2743   10.947   3.4863   61.792   19.463   65.902   11.750 -4.110123 22.73478 
1 1 1   17   22    7 o  133.703   15.412   48.839   8.8497   52.437   15.295   47.028   10.851  133.072   25.522  134.333   17.283 -1.260773 30.82314 
1 1 1   17   22    8 o   64.771   13.731   12.089   4.3216   8.3330   8.9395   13.235   4.9368   58.659   22.774   70.884   15.347 -12.22546 27.46212 
1 1 1   17   22    9 o  126.153   15.899   47.798   7.4947   39.553   15.157   50.466   8.6226  110.210   29.025  142.096   12.984 -31.88603 31.79724 
1 1 1   17   22   10 o  107.356   8.5764   25.854   3.9311   35.939   7.6585   22.247   4.5805  119.277   13.739   95.435   10.270 23.84171 17.15286 
1 1 1   17   22   11 o  164.061   10.603   67.849   7.8921   75.233   13.034   63.574   9.9168  169.424   16.461  158.699   13.371 10.72495 21.20674 
1 1 1   17   22   12 o   95.767   13.001   25.142   5.5947   27.378   8.2734   23.258   7.5943   99.728   18.430   91.806   18.342 7.921852 26.00160 
1 1 1   17   22   13 o  142.795   12.780   55.255   8.4569   49.555   12.190   60.543   11.742  134.158   19.442  151.433   16.592 -17.27495 25.55919 
1 1 1   17   22   14 o   67.327   14.952   13.780   5.5261   16.784   6.8197   8.0344   9.4301   77.113   19.038   57.541   23.060 19.57250 29.90330 
1 1 1   17   22   15 o   63.116   16.349   11.319   6.3733   8.7571   10.084   13.023   8.2241   59.488   23.844   66.744   22.375 -7.256485 32.69831 
1 1 1   17   22   16 o   41.148   12.071   2.2842   3.8039  -0.0060   6.3703   3.5534   4.7422   39.893   17.573   42.403   16.552 -2.509846 24.14116 
1 1 1   17   22   17 o   93.303   13.207   24.406   5.5401   20.430   8.5210   27.318   7.2916   83.635   21.636  102.970   15.152 -19.33516 26.41410 
1 1 1   17   22   18 o  144.965   12.351   55.956   8.3271   63.456   12.095   49.197   11.481  154.952   16.702  134.978   18.201 19.97415 24.70265 
1 1 1   17   22   19 o  107.572   19.918   33.060   9.6448   33.060   9.6448   0.0000   0.0000  107.572   19.918  ?   ?       ?      ? 
1 1 1   17   22   20 o   62.568   21.045   11.721   7.2761   11.721   7.2761   0.0000   0.0000   62.568   21.045  ?   ?       ?      ? 
1 1 1   17   22   21 o   43.501   13.387   1.5851   5.2259   4.3569   6.8823  -2.1894   8.0311   46.808   19.344   40.193   18.509 6.615292 26.77308 
1 1 1   17   22   22 o   69.148   17.585   16.394   7.4178   12.884   11.076   19.249   9.9885   63.148   25.097   75.147   24.639 -11.99934 35.16961 
1 1 1   17   22   23 o  135.585   19.528   53.510   12.374   0.0000   0.0000   53.510   12.374  ?   ?   135.585   19.528      ?      ? 
1 1 1   17   22   24 o   75.495   25.362   20.445   10.567   0.0000   0.0000   20.445   10.567  ?   ?    75.495   25.362      ?      ? 
1 1 1   17   22   25 o   66.821   17.035   15.502   7.4293   7.5607   11.040   22.075   10.044   54.557   23.594   79.086   24.579 -24.52953 34.07039 
1 1 1   17   22   26 f  183.882   24.516  139.214   19.415  126.772   23.828  163.788   33.488  188.777   27.008  178.986   40.924 9.791504 49.03289 
1 1 1   17   22   27 o   89.845   14.932   25.529   6.1966   29.196   8.8494   22.000   8.6798   97.778   20.039   81.911   22.144 15.86681 29.86493 
1 1 1   17   22   28 o   62.934   14.755   12.818   5.3378   8.2242   7.6816   17.108   7.4228   53.004   20.952   72.864   20.781 -19.86036 29.50969 
1 1 1   17   22   29 o  102.438   13.893   32.410   6.5104   29.555   9.1508   35.335   9.2644   95.711   21.032  109.165   18.159 -13.45383 27.78633 
1 1 1   17   22   30 o   66.542   22.277   15.938   8.1524   0.0000   0.0000   15.938   8.1524  ?   ?    66.542   22.277      ?      ? 
1 1 1   17   23    0 o   81.413   10.798   17.714   5.2119   17.714   5.2119   17.714   5.2119   81.413   15.270   81.413   15.270 -0.000000 0.000000 
1 1 1   17   23    1 o  113.102   8.8002   32.101   4.6403   34.694   6.5892   29.550   6.5360  117.934   11.955  108.269   12.917 9.665466 17.60041 
1 1 1   17   23    2 o   39.765   9.9234   3.7648   2.3287   2.3514   3.8068   4.6099   2.9436   37.013   14.712   42.518   13.321 -5.505039 19.84681 
1 1 1   17   23    3 o   87.464   10.377   20.510   3.6783   18.387   6.7328   21.413   4.3916   81.403   18.159   93.525   10.047 -12.12219 20.75331 
1 1 1   17   23    4 o  141.989   8.3565   49.170   5.4591   56.158   8.6919   44.617   7.0155  149.686   12.425  134.291   11.178 15.39534 16.71306 
1 1 1   17   23    5 o   57.830   10.427   9.3337   2.7728   7.1147   4.8891   10.386   3.3666   51.843   17.249   63.817   11.720 -11.97368 20.85416 
1 1 1   17   23    6 o   67.138   12.665   11.507   3.2269   13.166   8.5324   11.230   3.4859   66.836   22.788   67.440   11.060 -0.6041183 25.33024 
1 1 1   17   23    7 o  114.844   11.005   29.646   4.5845   42.383   11.339   27.157   5.0125  124.337   19.513  105.350   10.181 18.98771 22.00932 
1 1 1   17   23    8 o   80.879   14.249   17.791   4.5829   19.306   10.575   17.441   5.0853   78.493   25.326   83.266   13.068 -4.772896 28.49857 
1 1 1   17   23    9 o   60.235   13.075   9.4181   4.2887   14.857   6.3683   4.9043   5.8015   72.994   18.611   47.477   18.370 25.51674 26.15018 
1 1 1   17   23   10 o   53.981   12.542   7.2851   3.4790   9.6089   6.1305   6.1813   4.2252   59.089   19.299   48.872   16.025 10.21680 25.08481 
1 1 1   17   23   11 o   85.034   11.868   24.158   4.1176   9.7769   7.9177   29.490   4.8208   59.882   21.812  110.186   9.3616 -50.30472 23.73624 
1 1 1   17   23   12 o  101.699   9.9436   25.469   4.1102   28.342   8.2634   24.525   4.7379  103.314   17.114  100.085   10.129 3.229195 19.88711 
1 1 1   17   23   13 o   59.027   11.564   7.4801   2.7094   13.955   6.4371   6.0860   2.9869   69.851   19.148   48.203   12.973 21.64774 23.12863 
1 1 1   17   23   14 o   79.799   13.093   18.733   5.0554   11.679   7.5229   24.541   6.8266   62.819   21.398   96.780   15.093 -33.96102 26.18513 
1 1 1   17   23   15 o  107.155   13.004   32.557   6.2452   27.656   9.1238   36.878   8.5666   96.507   20.839  117.804   15.560 -21.29762 26.00717 
1 1 1   17   23   16 o  100.520   12.349   28.081   5.6560   28.325   8.3488   27.874   7.6894   99.476   18.643  101.564   16.200 -2.087746 24.69816 
1 1 1   17   23   17 o   74.573   15.095   16.976   5.4567   15.221   7.0738   19.555   8.5750   70.704   20.325   78.443   22.323 -7.738754 30.18972 
1 1 1   17   23   18 o   56.327   14.305   9.2957   4.7900   9.5691   6.4511   8.9598   7.1511   57.000   19.799   55.653   20.652 1.347034 28.60928 
1 1 1   17   23   19 o   69.955   13.992   12.060   5.4701   2.8111   6.8709   28.070   9.0395   43.851   18.784   96.060   20.742 -52.20916 27.98385 
1 1 1   17   23   20 o   48.043   14.693   3.8498   6.1450   0.9953   9.1513   6.1938   8.2928   45.210   20.404   50.877   21.147 -5.666672 29.38577 
1 1 1   17   23   21 o   72.636   17.563   19.390   7.7881   11.492   11.831   25.431   10.346   59.803   25.088   85.469   24.584 -25.66609 35.12526 
1 1 1   17   23   23 o   34.940   16.380  -3.5621   6.7408   0.0000   0.0000  -3.5621   6.7408  ?   ?    34.940   16.380      ?      ? 
1 1 1   17   23   24 o   53.582   14.162   8.4776   4.7825   9.6245   6.8791   7.4047   6.6536   55.974   20.340   51.190   19.710 4.783844 28.32345 
1 1 1   17   23   25 o   55.650   13.873   9.2499   4.7476   5.0480   6.7004   13.487   6.7281   46.377   19.119   64.922   20.107 -18.54533 27.74553 
1 1 1   17   23   26 o   36.721   11.815  -0.5045   4.4316  -0.4879   6.5765  -0.5183   5.9980   37.410   17.047   36.033   16.365 1.377495 23.63067 
1 1 1   17   23   27 o   60.007   16.340   12.184   6.1998   18.570   10.646   8.9060   7.6265   67.316   25.155   52.698   20.862 14.61764 32.68002 
1 1 1   17   24    0 o  172.827   10.074   74.751   11.327   74.751   11.327   74.751   11.327  172.827   14.246  172.827   14.246 -0.000000 0.000000 
1 1 1   17   24    1 o   86.193   10.048   18.889   3.6165   20.660   6.6327   18.140   4.3142   86.818   16.955   85.568   10.788 1.249588 20.09634 
1 1 1   17   24    2 o   74.891   9.9102   15.784   3.2036   10.478   5.1016   19.239   4.1163   61.303   17.139   88.479   9.9547 -27.17528 19.82047 
1 1 1   17   24    3 o  164.642   8.9691   68.962   6.7730   67.179   10.523   70.222   8.8498  161.475   13.944  167.809   11.284 -6.333130 17.93814 
1 1 1   17   24    4 o  135.872   8.0755   45.524   5.0592   50.114   7.9560   42.408   6.5552  141.018   12.072  130.726   10.730 10.29204 16.15101 
1 1 1   17   24    5 o  169.787   12.762   74.294   8.0948   88.168   18.255   70.898   9.0313  171.369   22.793  168.206   11.489 3.163055 25.52448 
1 1 1   17   24    6 o   83.966   13.619   18.422   4.4864   23.956   9.9355   17.005   5.0282   86.523   23.818   81.409   13.216 5.114021 27.23874 
1 1 1   17   24    7 o  155.258   11.155   66.397   7.1644   58.388   13.003   69.888   8.5851  143.286   19.418  167.230   10.985 -23.94420 22.30942 
1 1 1   17   24    8 o   85.366   12.693   17.624   3.8683   25.896   9.6253   16.031   4.2244   90.866   22.725   79.866   11.318 10.99945 25.38698 
1 1 1   17   24    9 o   73.249   12.721   14.133   4.0858   19.964   7.3987   11.574   4.9008   82.226   19.541   64.271   16.294 17.95507 25.44290 
1 1 1   17   24   10 o   72.377   12.041   14.903   3.8565   14.487   6.6453   15.114   4.7356   69.543   19.603   75.211   13.987 -5.667366 24.08164 
1 1 1   17   24   11 o   73.853   13.835   16.264   4.8641   18.316   7.0647   14.414   6.7070   78.569   19.364   69.137   19.766 9.431755 27.67054 
1 1 1   17   24   12 o  117.575   10.244   35.918   5.4313   39.219   9.0571   34.065   6.7871  120.055   16.142  115.095   12.618 4.960197 20.48864 
1 1 1   17   24   13 o   74.044   11.571   16.300   3.4403   13.058   7.1599   17.274   3.9228   64.791   20.832   83.297   10.077 -18.50582 23.14150 
1 1 1   17   24   14 o   47.463   11.771   5.5603   2.7863   7.1282   6.1766   5.1598   3.1221   50.969   19.138   43.956   13.710 7.013008 23.54224 
1 1 1   17   24   15 o   71.666   14.508   16.050   5.1049   16.281   7.3459   15.834   7.0993   71.988   20.718   71.344   20.315 0.6438446 29.01545 
1 1 1   17   24   16 o  145.663   19.125   62.230   13.020   62.230   13.020   0.0000   0.0000  145.663   19.125  ?   ?       ?      ? 
1 1 1   17   24   17 o  139.200   18.847   56.694   12.261   56.694   12.261   0.0000   0.0000  139.200   18.847  ?   ?       ?      ? 
1 1 1   17   24   18 o   42.695   19.756  -1.3074   9.3107  -1.3074   9.3107   0.0000   0.0000   42.695   19.756  ?   ?       ?      ? 
1 1 1   17   24   19 o   67.136   17.266   16.078   7.0038   16.321   10.235   15.864   9.6044   67.239   24.753   67.033   24.079 0.2066574 34.53281 
1 1 1   17   24   20 o  119.316   20.206   58.107   12.416   36.634   17.808   78.414   17.319   85.300   32.390  153.333   24.168 -68.03275 40.41234 
1 1 1   17   24   21 o   53.323   15.811   7.9299   6.6028   9.6200   9.9380   6.5943   8.8347   55.774   23.163   50.872   21.528 4.901447 31.62296 
1 1 1   17   24   22 o   33.959   11.413  -3.6419   4.5814  -9.1337   9.0687  -1.7599   5.3087   35.292   17.177   32.626   15.033 2.665874 22.82667 
1 1 1   17   24   23 o   59.533   13.965   11.830   4.8800   6.9793   7.3312   15.689   6.5391   49.303   20.123   69.762   19.369 -20.45944 27.93050 
1 1 1   17   24   24 f   73.829   16.388   18.010   5.7632   26.775   11.116   14.788   6.7397   81.050   25.947   66.607   20.027 14.44297 32.77670 
1 1 1   17   25    0 o   36.416   11.814   4.8504   3.1092   4.8504   3.1092   4.8504   3.1092   36.416   16.707   36.416   16.707 -0.000000 0.000000 
1 1 1   17   25    1 o   69.766   9.6088   11.946   3.0140   19.313   4.9914   7.7185   3.7812   86.679   12.321   52.852   14.748 33.82751 19.21770 
1 1 1   17   25    2 o  104.633   8.1927   27.507   3.9297   29.665   6.2746   26.113   5.0408  107.256   12.518  102.010   10.573 5.245575 16.38550 
1 1 1   17   25    3 o   95.401   10.012   24.261   4.0591   24.120   7.0127   24.332   4.9776   92.517   16.839   98.285   10.837 -5.768120 20.02493 
1 1 1   17   25    4 o  115.036   9.7692   34.697   5.1330   35.634   8.1718   34.087   6.5969  114.930   15.214  115.142   12.259 -0.2115707 19.53847 
1 1 1   17   25    5 o   50.986   12.395   5.0333   2.9420   12.914   6.9492   3.3123   3.2474   64.315   20.507   37.656   13.928 26.65914 24.78989 
1 1 1   17   25    6 o   77.228   12.846   18.132   4.5423   14.788   7.7419   19.887   5.6092   67.674   21.652   86.782   13.830 -19.10873 25.69235 
1 1 1   17   25    7 o   50.464   12.133   6.1246   2.9013   9.8160   6.4576   5.1910   3.2476   56.956   19.807   43.973   14.019 12.98331 24.26634 
1 1 1   17   25    8 o   72.189   11.360   12.212   3.2295   20.669   7.0409   9.9592   3.6343   83.581   18.513   60.796   13.172 22.78444 22.72049 
1 1 1   17   25    9 o   49.626   14.975   4.2072   6.7110  -5.3036   10.867   10.070   8.5324   42.174   20.076   57.078   22.224 -14.90410 29.94952 
1 1 1   17   25   10 o   59.823   12.035   8.6561   3.2549   15.855   6.3836   6.1272   3.7837   72.529   18.710   47.118   15.143 25.41103 24.07006 
1 1 1   17   25   11 o   89.990   11.647   22.252   4.6572   25.166   7.6477   20.534   5.8714   92.470   18.344   87.510   14.356 4.959885 23.29402 
1 1 1   17   25   12 o   71.775   12.251   14.966   3.8239   15.218   7.0252   14.860   4.5583   69.381   20.345   74.169   13.653 -4.788216 24.50202 
1 1 1   17   25   13 o   93.361   15.771   27.257   6.8597   19.348   8.8894   38.900   10.785   75.382   23.073  111.341   21.506 -35.95921 31.54143 
1 1 1   17   25   14 o   51.386   12.995   7.6499   3.9691   6.7525   5.9981   8.3489   5.2940   49.466   18.794   53.307   17.951 -3.841213 25.98963 
1 1 1   17   25   15 o   73.450   13.825   10.762   3.6029   29.324   10.138   8.0788   3.8545   93.338   23.310   53.561   14.871 39.77647 27.64935 
1 1 1   17   25   16 o   73.191   13.457   17.725   3.8831   13.638   11.008   18.306   4.1498   61.380   24.803   85.002   10.446 -23.62245 26.91304 
1 1 1   17   25   17 o   81.073   14.182   19.559   3.9454   23.253   11.475   19.063   4.2015   75.547   26.396   86.598   10.381 -11.05158 28.36401 
1 1 1   17   25   18 o   78.638   16.282   23.090   6.3507   20.886   12.259   23.898   7.4245   69.161   26.720   88.116   18.613 -18.95502 32.56340 
1 1 1   17   25   19 o  107.212   17.185   42.292   8.1746   40.014   14.449   43.365   9.9135   93.727   29.538  120.697   17.575 -26.96993 34.37065 
1 1 1   17   26    0 o   78.574   12.305   17.591   5.5871   17.591   5.5871   17.591   5.5871   78.574   17.402   78.574   17.402 -0.000000 0.000000 
1 1 1   17   26    1 o  127.078   8.9508   42.929   5.1519   37.253   7.9208   47.091   6.7827  117.700   14.400  136.457   10.636 -18.75774 17.90153 
1 1 1   17   26    2 o  120.385   11.197   34.203   5.7461   57.030   11.366   26.365   6.6599  141.761   17.155   99.010   14.393 42.75172 22.39307 
1 1 1   17   26    3 o  106.422   9.1353   28.961   4.3872   32.647   7.3576   26.928   5.4651  110.262   14.278  102.581   11.400 7.680267 18.27053 
1 1 1   17   26    4 o   73.287   11.119   13.093   3.4155   21.562   6.6080   10.005   3.9897   86.575   16.938   60.000   14.409 26.57444 22.23825 
1 1 1   17   26    5 o  148.059   11.033   58.890   7.4046   67.398   12.294   54.047   9.2757  153.971   17.085  142.146   13.963 11.82423 22.06503 
1 1 1   17   26    6 o  106.064   13.196   33.665   6.2606   29.481   9.3196   37.106   8.4516   96.260   21.282  115.868   15.607 -19.60831 26.39134 
1 1 1   17   26    7 f  154.338   10.955   63.170   7.6660   77.690   12.864   55.176   9.5460  165.739   16.608  142.936   14.290 22.80251 21.90980 
1 1 1   17   26    8 o   84.093   11.915   19.044   4.1843   24.838   7.8530   16.747   4.9446   90.058   19.242   78.129   14.059 11.92874 23.83098 
1 1 1   17   26    9 o   71.971   14.155   16.688   4.9064   16.303   7.7156   16.949   6.3573   69.456   21.535   74.486   18.376 -5.030228 28.30980 
1 1 1   17   26   10 o   42.497   11.754   4.4374   3.0879   3.7996   6.5005   4.6233   3.5091   43.445   18.430   41.549   14.593 1.896236 23.50796 
1 1 1   17   26   11 o   62.697   15.794   14.094   5.8453   14.654   7.5992   13.281   9.1473   65.040   21.499   60.354   23.142 4.686550 31.58749 
1 1 1   17   26   12 o   54.975   11.298   5.1890   3.4703   19.210   6.4810  -0.4473   4.1090   79.280   17.914   30.669   13.772 48.61116 22.59591 
1 1 1   17   26   13 o   57.974   16.393   12.405   6.7201   9.8791   12.729   13.382   7.9127   54.699   24.424   61.249   21.871 -6.550415 32.78504 
1 1 1   17   26   14 o   38.213   12.303   1.8385   2.9272  -3.4559   12.146   2.1650   3.0161   43.449   20.829   32.976   13.099 10.47281 24.60556 
1 1 1   18    0    0 o  269.632   24.857  185.214   42.215  185.214   42.215  185.214   42.215  269.632   35.153  269.632   35.153 -0.000000 0.000000 
1 1 1   18    0    1 f  373.919   14.795  339.931   36.303  339.931   36.303  339.931   36.303  373.919   20.924  373.919   20.924 -0.000000 0.000000 
1 1 1   18    0    2 o  460.120   18.411  523.395   55.580  523.395   55.580  523.395   55.580  460.120   26.037  460.120   26.037 -0.000000 0.000000 
1 1 1   18    0    3 o  344.532   16.235  291.519   36.592  291.519   36.592  291.519   36.592  344.532   22.960  344.532   22.960 -0.000000 0.000000 
1 1 1   18    0    4 o  280.875   13.775  192.034   25.290  192.034   25.290  192.034   25.290  280.875   19.481  280.875   19.481 -0.000000 0.000000 
1 1 1   18    0    5 o  165.479   11.641   67.099   12.443   67.099   12.443   67.099   12.443  165.479   16.463  165.479   16.463 -0.000000 0.000000 
1 1 1   18    0    6 o  230.277   10.850  127.699   16.345  127.699   16.345  127.699   16.345  230.277   15.344  230.277   15.344 -0.000000 0.000000 
1 1 1   18    0    7 o  226.567   10.815  123.663   16.026  123.663   16.026  123.663   16.026  226.567   15.295  226.567   15.295 -0.000000 0.000000 
1 1 1   18    0    8 o  298.056   11.965  214.053   23.397  214.053   23.397  214.053   23.397  298.056   16.921  298.056   16.921 -0.000000 0.000000 
1 1 1   18    0    9 o   78.930   8.9484   15.787   4.3083   15.787   4.3083   15.787   4.3083   78.930   12.655   78.930   12.655 -0.000000 0.000000 
1 1 1   18    0   10 o   63.818   10.434   11.030   3.8297   11.030   3.8297   11.030   3.8297   63.818   14.756   63.818   14.756 -0.000000 0.000000 
1 1 1   18    0   11 o  202.224   9.0774   97.871   12.020   97.871   12.020   97.871   12.020  202.224   12.837  202.224   12.837 -0.000000 0.000000 
1 1 1   18    0   12 o  225.855   10.054  122.369   14.873  122.369   14.873  122.369   14.873  225.855   14.219  225.855   14.219 -0.000000 0.000000 
1 1 1   18    0   13 f  186.171   10.516   83.816   12.749   83.816   12.749   83.816   12.749  186.171   14.872  186.171   14.872 -0.000000 0.000000 
1 1 1   18    0   14 o  393.864   18.351  384.891   47.295  384.891   47.295  384.891   47.295  393.864   25.952  393.864   25.952 -0.000000 0.000000 
1 1 1   18    0   15 o  297.803   13.887  215.751   27.061  215.751   27.061  215.751   27.061  297.803   19.640  297.803   19.640 -0.000000 0.000000 
1 1 1   18    0   16 o  249.674   11.499  150.320   18.791  150.320   18.791  150.320   18.791  249.674   16.262  249.674   16.262 -0.000000 0.000000 
1 1 1   18    0   17 o  101.451   10.047   25.746   6.3581   25.746   6.3581   25.746   6.3581  101.451   14.209  101.451   14.209 -0.000000 0.000000 
1 1 1   18    0   18 o  130.210   9.7245   41.446   8.1553   41.446   8.1553   41.446   8.1553  130.210   13.752  130.210   13.752 -0.000000 0.000000 
1 1 1   18    0   19 o  292.522   18.011  213.579   34.215  213.579   34.215  213.579   34.215  292.522   25.472  292.522   25.472 -0.000000 0.000000 
1 1 1   18    0   20 o  249.667   15.884  154.559   25.723  154.559   25.723  154.559   25.723  249.667   22.464  249.667   22.464 -0.000000 0.000000 
1 1 1   18    0   21 f  140.337   12.724   49.386   11.270   49.386   11.270   49.386   11.270  140.337   17.994  140.337   17.994 -0.000000 0.000000 
1 1 1   18    0   22 o   92.629   15.738   23.876   8.3561   23.876   8.3561   23.876   8.3561   92.629   22.257   92.629   22.257 -0.000000 0.000000 
1 1 1   18    0   23 o  124.639   11.950   39.088   9.3341   39.088   9.3341   39.088   9.3341  124.639   16.900  124.639   16.900 -0.000000 0.000000 
1 1 1   18    0   24 o   95.298   11.607   23.427   6.6599   23.427   6.6599   23.427   6.6599   95.298   16.415   95.298   16.415 -0.000000 0.000000 
1 1 1   18    0   25 o   33.406   13.962   3.1468   5.3008   3.1468   5.3008   3.1468   5.3008   33.406   19.745   33.406   19.745 -0.000000 0.000000 
1 1 1   18    0   26 o   79.334   13.443   17.383   6.1144   17.383   6.1144   17.383   6.1144   79.334   19.012   79.334   19.012 -0.000000 0.000000 
1 1 1   18    0   27 o  103.949   9.7430   26.985   6.3656   26.985   6.3656   26.985   6.3656  103.949   13.779  103.949   13.779 -0.000000 0.000000 
1 1 1   18    0   28 f  126.027   8.3858   38.615   6.8429   38.615   6.8429   38.615   6.8429  126.027   11.859  126.027   11.859 -0.000000 0.000000 
1 1 1   18    0   29 o  157.918   9.9987   60.881   10.244   60.881   10.244   60.881   10.244  157.918   14.140  157.918   14.140 -0.000000 0.000000 
1 1 1   18    0   30 o   74.435   13.211   15.529   5.6215   15.529   5.6215   15.529   5.6215   74.435   18.683   74.435   18.683 -0.000000 0.000000 
1 1 1   18    0   31 o   90.994   12.196   21.846   6.5675   21.846   6.5675   21.846   6.5675   90.994   17.248   90.994   17.248 -0.000000 0.000000 
1 1 1   18    0   32 o   87.277   12.019   20.195   6.1790   20.195   6.1790   20.195   6.1790   87.277   16.997   87.277   16.997 -0.000000 0.000000 
1 1 1   18    0   33 o   48.324   15.517   8.3110   5.3586   8.3110   5.3586   8.3110   5.3586   48.324   21.945   48.324   21.945 -0.000000 0.000000 
1 1 1   18    0   34 o   63.042   14.436   12.196   5.3171   12.196   5.3171   12.196   5.3171   63.042   20.415   63.042   20.415 -0.000000 0.000000 
1 1 1   18    0   35 o   75.610   12.516   15.792   5.4362   15.792   5.4362   15.792   5.4362   75.610   17.701   75.610   17.701 -0.000000 0.000000 
1 1 1   18    0   36 o   23.019   10.585  -0.1062   3.8729  -0.1062   3.8729  -0.1062   3.8729   23.019   14.969   23.019   14.969 -0.000000 0.000000 
1 1 1   18    0   37 o  166.570   9.3308   67.864   10.124   67.864   10.124   67.864   10.124  166.570   13.196  166.570   13.196 -0.000000 0.000000 
1 1 1   18    0   38 o  109.691   10.209   30.439   7.0454   30.439   7.0454   30.439   7.0454  109.691   14.438  109.691   14.438 -0.000000 0.000000 
1 1 1   18    0   39 o   95.162   11.959   23.895   6.8135   23.895   6.8135   23.895   6.8135   95.162   16.913   95.162   16.913 -0.000000 0.000000 
1 1 1   18    0   40 o   58.374   16.132   11.617   5.9491   11.617   5.9491   11.617   5.9491   58.374   22.815   58.374   22.815 -0.000000 0.000000 
1 1 1   18    0   41 o   31.875   14.094   2.1662   6.1014   2.1662   6.1014   2.1662   6.1014   31.875   19.932   31.875   19.932 -0.000000 0.000000 
1 1 1   18    0   42 o   51.033   20.515   10.780   10.767   10.780   10.767   10.780   10.767   51.033   29.013   51.033   29.013 -0.000000 0.000000 
1 1 1   18    0   43 o   52.057   19.423   11.016   8.9128   11.016   8.9128   11.016   8.9128   52.057   27.469   52.057   27.469 -0.000000 0.000000 
1 1 1   18    0   44 o   21.484   10.894 -10.5268   7.2997 -10.5268   7.2997 -10.5268   7.2997   21.484   15.407   21.484   15.407 -0.000000 0.000000 
1 1 1   18    0   45 o   30.627   14.255   0.2815   7.3438   0.2815   7.3438   0.2815   7.3438   30.627   20.160   30.627   20.160 -0.000000 0.000000 
1 1 1   18    0   46 o   32.140   14.649   1.7087   7.2013   1.7087   7.2013   1.7087   7.2013   32.140   20.717   32.140   20.717 -0.000000 0.000000 
1 1 1   18    0   47 o   21.725   11.094 -12.9812   8.1962 -12.9812   8.1962 -12.9812   8.1962   21.725   15.690   21.725   15.690 -0.000000 0.000000 
1 1 1   18    0   48 o   36.884   15.882   4.8068   7.2723   4.8068   7.2723   4.8068   7.2723   36.884   22.460   36.884   22.460 -0.000000 0.000000 
1 1 1   18    0   49 o   34.317   14.728   4.1257   6.2078   4.1257   6.2078   4.1257   6.2078   34.317   20.829   34.317   20.829 -0.000000 0.000000 
1 1 1   18    0   50 o   46.539   16.792   9.4284   6.5087   9.4284   6.5087   9.4284   6.5087   46.539   23.747   46.539   23.747 -0.000000 0.000000 
1 1 1   18    1    0 o  243.092   12.256  143.118   19.462  143.118   19.462  143.118   19.462  243.092   17.333  243.092   17.333 -0.000000 0.000000 
1 1 1   18    1    1 o   95.177   8.3362   21.511   3.7005   20.229   5.0434   23.005   5.4463   92.130   11.713   98.224   11.864 -6.094315 16.67231 
1 1 1   18    1    2 o  125.313   8.2803   37.191   4.8236   32.226   6.5657   43.013   7.1099  116.202   12.090  134.424   11.317 -18.22171 16.56052 
1 1 1   18    1    3 o  159.898   9.2128   61.128   6.8785   58.089   9.5109   64.461   9.9601  155.727   13.068  164.070   12.989 -8.343521 18.42556 
1 1 1   18    1    4 o  211.553   9.9642  107.610   9.7390  107.391   12.845  107.906   14.937  211.758   12.979  211.349   15.123 0.4084167 19.92843 
1 1 1   18    1    5 o   90.112   9.3051   20.467   3.5879   22.440   4.5341   17.162   5.8680   97.276   9.9734   82.948   15.712 14.32834 18.61027 
1 1 1   18    1    6 o  147.619   9.4599   52.040   6.4288   53.750   10.058   50.859   8.3595  149.350   14.409  145.889   12.261 3.460144 18.91974 
1 1 1   18    1    7 o  138.378   8.4350   45.700   5.4540   46.895   7.7773   44.543   7.6506  140.172   11.872  136.584   11.985 3.587860 16.86994 
1 1 1   18    1    8 o  181.890   8.9403   79.856   7.4736   75.088   11.459   83.386   9.8589  176.682   13.878  187.098   11.275 -10.41595 17.88058 
1 1 1   18    1    9 o  122.572   7.4750   36.157   4.2232   30.432   6.1145   41.379   5.8399  112.970   11.581  132.174   9.4540 -19.20464 14.95006 
1 1 1   18    1   10 o  120.674   7.1334   34.532   4.0217   35.709   5.7629   33.415   5.6152  122.684   10.051  118.664   10.125 4.019836 14.26679 
1 1 1   18    1   11 o  179.454   8.3209   76.801   6.9780   78.077   9.9340   75.558   9.8041  180.931   11.748  177.977   11.787 2.954361 16.64186 
1 1 1   18    1   12 o  223.364   11.187  120.973   11.671  117.918   16.620  123.945   16.394  220.421   16.134  226.308   15.500 -5.887054 22.37317 
1 1 1   18    1   13 o  366.783   18.120  345.203   30.985  371.395   43.874  319.142   43.764  381.980   24.577  351.586   26.634 30.39401 36.24091 
1 1 1   18    1   14 o  169.244   10.899   69.084   8.5128   68.017   11.160   70.569   13.165  168.119   14.203  170.369   16.534 -2.250168 21.79732 
1 1 1   18    1   15 o  176.746   9.8280   75.105   8.1167   74.351   11.548   75.841   11.411  175.813   14.055  177.678   13.741 -1.865326 19.65594 
1 1 1   18    1   16 o  150.625   8.9752   54.286   6.3179   54.243   8.9671   54.327   8.9029  150.552   12.745  150.698   12.641 -0.1453552 17.95039 
1 1 1   18    1   17 o  251.074   13.703  153.809   15.783  164.152   25.123  147.065   20.286  256.878   20.926  245.270   17.698 11.60867 27.40663 
1 1 1   18    1   18 o  142.705   9.8360   46.444   6.3877   63.896   10.420   35.938   8.0849  163.162   13.665  122.248   14.151 40.91354 19.67200 
1 1 1   18    1   19 o  153.511   10.562   56.452   7.3930   58.725   11.922   55.031   9.4237  155.507   16.404  151.516   13.308 3.990234 21.12347 
1 1 1   18    1   20 o  216.493   11.548  114.010   11.683  112.918   16.512  115.105   16.534  215.417   16.402  217.568   16.260 -2.150528 23.09563 
1 1 1   18    1   21 o  189.913   11.288   87.023   9.8144   83.552   12.569   92.443   15.709  185.814   14.474  194.013   17.325 -8.199066 22.57589 
1 1 1   18    1   22 f  180.715   12.746   80.736   10.757   76.657   14.993   85.065   15.444  175.895   18.238  185.535   17.811 -9.640121 25.49228 
1 1 1   18    1   23 o   72.496   13.723   14.223   4.8489   17.188   6.1046   9.1560   7.9814   82.518   16.407   62.474   22.002 20.04451 27.44628 
1 1 1   18    1   24 o   80.013   13.326   16.370   4.7962   16.219   6.0866   16.617   7.7899   80.050   16.804   79.975   20.686 0.7588959E-01 26.65174 
1 1 1   18    1   25 o  108.655   13.954   32.948   6.3937   40.366   8.0888   20.597   10.438  129.425   13.373   87.885   24.496 41.53985 27.90869 
1 1 1   18    1   26 f  190.298   18.333   95.021   16.250  105.989   23.667   85.238   22.352  201.276   25.160  179.319   26.672 21.95718 36.66581 
1 1 1   18    1   27 o   96.259   11.598   23.580   4.9825   28.616   6.9326   18.200   7.1659  108.642   13.654   83.876   18.752 24.76642 23.19584 
1 1 1   18    1   28 o  123.735   9.3779   37.077   5.4209   35.674   7.5821   38.544   7.7534  121.304   13.374  126.165   13.149 -4.860794 18.75581 
1 1 1   18    1   29 o  108.593   9.6294   29.547   4.5273   19.530   6.3260   40.064   6.4819   87.852   15.997  129.334   10.724 -41.48138 19.25877 
1 1 1   18    1   30 o  116.724   9.8965   33.538   5.2866   41.509   7.5347   25.810   7.4193  131.076   12.300  102.372   15.507 28.70313 19.79304 
1 1 1   18    1   31 o   82.218   11.038   17.163   4.0855   16.530   5.7803   17.794   5.7751   80.548   15.920   83.888   15.294 -3.340210 22.07593 
1 1 1   18    1   32 o   72.567   14.763   14.727   4.8772   15.952   5.4534   9.8328   10.901   79.238   15.280   65.895   25.265 13.34379 29.52599 
1 1 1   18    1   33 o  119.002   11.946   38.433   5.9236   48.494   7.8130   24.831   9.0843  141.560   11.810   96.444   20.769 45.11665 23.89146 
1 1 1   18    1   34 o  153.347   9.3390   58.008   6.5550   71.660   9.3372   44.741   9.2048  172.080   11.610  134.615   14.631 37.46524 18.67797 
1 1 1   18    1   35 o   72.160   11.637   13.521   3.8335   13.568   5.2802   13.468   5.5745   72.451   16.020   71.869   16.884 0.5821991 23.27407 
1 1 1   18    1   36 o  101.930   10.300   26.000   4.6039   17.844   6.2451   35.709   6.8136   82.816   16.712  121.044   12.045 -38.22794 20.59987 
1 1 1   18    1   37 o   59.440   12.118   9.3730   3.5617   10.147   4.8053   8.4297   5.3059   62.061   16.342   56.818   17.898 5.243732 24.23652 
1 1 1   18    1   38 o   53.433   12.373   7.2387   3.5422   6.7284   4.7254   7.8932   5.3519   51.568   16.949   55.299   18.031 -3.731373 24.74580 
1 1 1   18    1   39 o   55.230   13.393   4.7402   3.9768   1.3751   4.5965   14.757   7.9305   37.714   15.716   72.746   21.690 -35.03177 26.78524 
1 1 1   18    1   40 o   60.463   15.925   8.5286   4.7510   8.3780   5.1086   9.4928   12.927   56.293   17.535   64.632   26.590 -8.338619 31.85088 
1 1 1   18    1   41 o   55.414   18.114   8.2435   5.4001   8.2435   5.4001   0.0000   0.0000   55.414   18.114  ?   ?       ?      ? 
1 1 1   18    1   42 o  119.186   16.115   41.989   8.5282   43.655   10.985   39.460   13.530  126.824   18.534  111.547   26.369 15.27663 32.23093 
1 1 1   18    1   43 o   72.642   13.410   13.283   4.7771   23.467   7.8417   7.2731   6.0239   92.086   18.856   53.198   19.074 38.88706 26.82075 
1 1 1   18    1   44 o   74.787   11.933   15.545   4.0892   13.089   5.8393   17.910   5.7284   67.993   18.068   81.581   15.593 -13.58748 23.86612 
1 1 1   18    1   45 o   45.790   13.851   2.8625   5.2951   5.4965   7.8153   0.6273   7.1994   49.934   20.623   41.647   18.496 8.286716 27.70251 
1 1 1   18    1   46 o   68.556   16.853   15.977   6.6102   14.761   10.806   16.703   8.3560   65.516   25.146   71.595   22.446 -6.078178 33.70662 
1 1 1   18    1   47 o   98.172   15.393   31.679   7.1428   22.061   10.518   39.912   9.7308   77.946   25.269  118.398   17.586 -40.45181 30.78609 
1 1 1   18    1   48 o   57.639   17.190   9.5243   6.9250   12.144   15.618   8.8831   7.7260   60.716   27.086   54.562   21.175 6.153938 34.38079 
1 1 1   18    1   49 o   51.621   14.605   7.7704   5.3450   8.7047   7.6624   6.8849   7.4596   53.292   20.970   49.949   20.333 3.342800 29.20928 
1 1 1   18    1   50 f   39.601   12.637   0.3024   4.4458  -1.5003   5.2475   4.8875   8.3688   32.508   14.967   46.694   20.365 -14.18559 25.27385 
1 1 1   18    2    0 f   18.814   9.0706  -2.0140   3.4869  -2.0140   3.4869  -2.0140   3.4869   18.814   12.828   18.814   12.828 -0.000000 0.000000 
1 1 1   18    2    1 o  176.148   10.958   75.493   8.7860   77.086   11.302   73.059   13.968  179.239   13.492  173.058   17.271 6.181366 21.91574 
1 1 1   18    2    2 o  151.611   14.269   59.995   7.4513   61.621   8.3074   53.307   16.852  160.946   11.044  142.276   26.314 18.66974 28.53746 
1 1 1   18    2    3 o  218.100   11.450  114.429   11.032  112.260   13.512  118.767   19.107  216.331   13.364  219.869   18.595 -3.537979 22.89908 
1 1 1   18    2    4 o  137.408   7.3533   44.801   4.7203   43.262   6.5796   46.432   6.7758  134.972   10.431  139.844   10.367 -4.871689 14.70655 
1 1 1   18    2    5 o  201.474   8.9177   97.141   8.3944   94.512   11.872   99.770   11.870  198.682   12.786  204.267   12.434 -5.585052 17.83544 
1 1 1   18    2    6 o  160.027   8.6342   62.012   6.3405   66.665   8.4236   55.929   9.6307  167.441   10.764  152.612   13.503 14.82864 17.26846 
1 1 1   18    2    7 o   92.863   8.0842   20.693   3.4788   21.977   4.7242   19.171   5.1420   96.173   10.511   89.552   12.286 6.621010 16.16844 
1 1 1   18    2    8 o  149.304   8.8711   53.419   6.1640   59.482   8.7781   47.521   8.6575  157.850   11.899  140.759   13.161 17.09134 17.74226 
1 1 1   18    2    9 o  244.653   10.739  144.138   12.170  149.443   18.616  140.180   16.082  248.079   16.056  241.227   14.265 6.851257 21.47763 
1 1 1   18    2   10 o  178.335   9.0062   77.027   7.3663   70.667   11.276   81.762   9.7295  171.365   14.079  185.305   11.235 -13.93977 18.01241 
1 1 1   18    2   11 o  194.255   8.6793   90.341   7.8595   83.738   11.178   96.798   11.053  187.038   12.788  201.471   11.739 -14.43362 17.35864 
1 1 1   18    2   12 o   63.279   11.688   9.9020   3.5406   7.4084   4.8024   12.871   5.2406   55.019   16.979   71.539   16.067 -16.51951 23.37595 
1 1 1   18    2   13 o  216.482   11.552  114.112   11.481  115.459   14.974  112.189   17.884  218.845   14.641  214.119   17.872 4.725815 23.10346 
1 1 1   18    2   14 o  318.165   17.361  257.685   25.254  257.271   39.875  257.962   32.633  315.133   27.075  321.197   21.739 -6.064545 34.72195 
1 1 1   18    2   15 o  164.382   11.007   64.504   8.2239   69.347   13.470   61.626   10.384  168.644   17.090  160.119   13.876 8.525162 22.01416 
1 1 1   18    2   16 o  309.363   16.983  243.308   23.929  239.744   38.038  245.642   30.784  304.584   26.722  314.143   20.968 -9.558960 33.96647 
1 1 1   18    2   17 o  207.056   11.494  101.849   10.860  114.292   17.730   94.376   13.740  216.327   17.537  197.784   14.864 18.54321 22.98859 
1 1 1   18    2   18 o  304.245   13.489  227.700   19.180  227.861   27.225  227.542   27.025  304.297   19.144  304.191   19.010 0.1059265 26.97890 
1 1 1   18    2   19 o  203.649   10.530  100.229   9.9737  112.397   14.216   88.435   13.996  216.186   14.071  191.112   15.670 25.07397 21.06047 
1 1 1   18    2   20 o  113.654   8.9517   30.956   4.7483   28.950   6.6793   33.005   6.7514  109.853   13.010  117.455   12.299 -7.602264 17.90342 
1 1 1   18    2   21 o   64.295   11.648   10.303   3.6291   14.443   5.3044   6.6592   4.9759   75.794   15.498   52.796   17.394 22.99778 23.29645 
1 1 1   18    2   22 o  128.356   10.088   39.735   5.9782   41.141   9.2586   38.729   7.8291  129.970   15.243  126.741   13.218 3.229675 20.17527 
1 1 1   18    2   23 o  201.318   15.706  100.624   13.847   96.400   16.760  109.704   24.574  197.472   18.161  205.163   25.629 -7.690964 31.41136 
1 1 1   18    2   24 o  184.781   12.908   82.606   9.5355   81.002   10.930   87.719   19.512  183.657   12.734  185.904   22.458 -2.246674 25.81648 
1 1 1   18    2   25 o  192.853   15.057   90.393   13.571   90.393   13.571   0.0000   0.0000  192.853   15.057  ?   ?       ?      ? 
1 1 1   18    2   26 o  132.102   14.687   47.885   7.9741   54.937   9.9341   35.109   13.371  150.474   14.126  113.730   25.755 36.74467 29.37421 
1 1 1   18    2   27 o  168.094   11.210   69.152   8.6728   70.840   13.538   67.978   11.295  169.145   17.125  167.043   14.468 2.101181 22.41899 
1 1 1   18    2   28 o  171.723   10.840   74.309   8.4072   61.666   12.901   83.643   11.084  157.417   17.536  186.028   12.749 -28.61066 21.68026 
1 1 1   18    2   29 o  141.639   9.7680   48.879   6.4491   53.103   9.1613   44.729   9.0800  147.939   13.251  135.340   14.355 12.59860 19.53601 
1 1 1   18    2   30 o  188.287   8.6418   86.239   7.5062   70.664   10.595  101.937   10.636  170.529   13.294  206.044   11.045 -35.51535 17.28366 
1 1 1   18    2   31 o  112.336   9.8624   30.980   5.1345   35.403   7.2632   26.562   7.2594  120.755   12.870  103.917   14.948 16.83862 19.72480 
1 1 1   18    2   32 o  182.191   10.698   82.813   8.9399   99.754   12.609   65.691   12.677  202.220   13.342  162.162   16.727 40.05798 21.39629 
1 1 1   18    2   33 o  122.875   9.3923   36.761   5.3606   31.551   7.3735   42.600   7.8070  113.412   13.911  132.338   12.623 -18.92573 18.78467 
1 1 1   18    2   34 o  108.899   10.694   30.675   5.0612   38.438   6.9570   21.946   7.3769  125.937   11.820   91.861   17.826 34.07564 21.38872 
1 1 1   18    2   35 o  138.418   9.7126   44.410   6.0456   37.795   7.4170   57.508   10.436  124.412   12.756  152.423   14.650 -28.01140 19.42514 
1 1 1   18    2   36 o  110.114   11.306   29.210   5.3172   27.371   6.2748   33.893   10.014  105.687   12.704  114.541   18.707 -8.854080 22.61253 
1 1 1   18    2   37 o  126.302   11.341   40.853   6.3221   41.758   7.8437   39.176   10.681  130.090   12.901  122.514   18.655 7.575584 22.68123 
1 1 1   18    2   38 o  156.611   11.543   62.957   8.0246   64.452   10.021   60.283   13.397  161.389   13.286  151.833   18.880 9.556152 23.08634 
1 1 1   18    2   39 o   59.982   12.184   9.5387   3.7584   12.727   5.1992   6.0490   5.4394   69.504   16.290   50.461   18.121 19.04295 24.36704 
1 1 1   18    2   40 o   59.545   13.133   9.1604   4.0020   7.4186   5.1421   11.836   6.3734   53.499   17.685   65.591   19.419 -12.09197 26.26528 
1 1 1   18    2   41 o   87.811   13.218   18.887   4.8765   15.092   5.7285   28.875   9.2932   74.572   16.836  101.049   20.382 -26.47644 26.43589 
1 1 1   18    2   42 o  119.978   11.619   38.433   6.3599   42.071   8.4733   33.739   9.6250  128.336   14.127  111.621   18.451 16.71468 23.23808 
1 1 1   18    2   43 o   36.475   11.107   0.5312   3.4297  -0.1637   4.7010   1.3221   5.0150   34.631   15.180   38.318   16.218 -3.687145 22.21371 
1 1 1   18    2   44 o  100.599   10.479   26.169   4.7705   25.325   6.0154   27.599   7.8312   99.723   12.907  101.476   16.513 -1.752602 20.95872 
1 1 1   18    2   45 o   89.388   12.425   23.102   5.0345   30.326   7.0267   15.481   7.2169  107.654   13.966   71.122   20.554 36.53123 24.85009 
1 1 1   18    2   46 o   63.163   14.143   11.128   4.7845   6.6856   6.0908   18.286   7.7315   49.931   18.946   76.395   21.003 -26.46373 28.28584 
1 1 1   18    2   47 o   43.461   12.831   2.3358   4.4308  -1.2651   5.7478   7.6092   6.9557   34.991   15.941   51.931   20.109 -16.94016 25.66103 
1 1 1   18    2   48 o  116.741   16.949   46.075   8.0469   47.141   9.4288   43.216   15.439  131.252   15.371  102.231   30.213 29.02122 33.89862 
1 1 1   18    2   49 o   48.625   14.241   5.8586   5.3388   8.8285   7.8520   3.3053   7.2806   53.346   21.153   43.904   19.074 9.442062 28.48216 
1 1 1   18    2   50 o   42.213   13.290   2.2761   5.2670   3.1309   7.8204   1.5664   7.1254   43.748   19.361   40.679   18.211 3.068836 26.57929 
1 1 1   18    3    0 o   69.245   10.970   12.906   4.3837   12.906   4.3837   12.906   4.3837   69.245   15.514   69.245   15.514 -0.000000 0.000000 
1 1 1   18    3    1 o   99.086   8.1846   23.479   3.7744   21.215   5.3665   25.694   5.3095   94.240   12.185  103.933   10.931 -9.692978 16.36920 
1 1 1   18    3    2 o  113.648   8.2385   30.784   4.3678   33.352   6.2562   28.342   6.1006  118.336   11.312  108.961   11.980 9.375488 16.47706 
1 1 1   18    3    3 o   97.316   9.0461   22.312   4.0339   24.499   6.4830   20.931   5.1529  100.965   13.739   93.668   11.771 7.296761 18.09213 
1 1 1   18    3    4 o   89.448   8.3469   19.078   3.4831   20.676   4.9969   17.568   4.8577   93.139   11.480   85.757   12.120 7.381584 16.69379 
1 1 1   18    3    5 o  150.073   8.1647   53.348   5.6681   51.370   7.4435   56.079   8.7445  146.960   10.838  153.186   12.214 -6.225739 16.32934 
1 1 1   18    3    6 o   87.356   7.9174   17.680   3.1881   14.741   4.1401   21.963   4.9970   78.667   11.261   96.045   11.132 -17.37769 15.83490 
1 1 1   18    3    7 o  106.174   9.2137   27.861   4.2612   29.628   5.2663   24.510   7.2519  111.740   10.084  100.608   15.423 11.13187 18.42745 
1 1 1   18    3    8 o  101.805   7.3861   24.626   3.5033   24.699   4.7750   24.541   5.1556  102.036   10.013  101.575   10.860 0.4606094 14.77215 
1 1 1   18    3    9 o  150.574   8.7384   54.326   6.1333   50.779   8.7717   57.718   8.5790  145.606   12.890  155.542   11.802 -9.936386 17.47684 
1 1 1   18    3   10 o  187.140   9.6286   84.069   8.4197   85.936   12.037   82.279   11.782  189.175   13.615  185.105   13.619 4.070557 19.25723 
1 1 1   18    3   11 o  167.749   9.3262   67.603   7.2537   78.309   10.375   57.366   10.145  181.058   12.261  154.440   14.056 26.61806 18.65231 
1 1 1   18    3   12 o  169.304   10.288   68.325   8.0398   73.776   12.563   64.545   10.463  174.654   15.391  163.954   13.655 10.70061 20.57521 
1 1 1   18    3   13 f  219.395   18.529  129.351   15.642  112.169   31.566  134.943   18.008  203.099   33.256  235.691   16.349 -32.59195 37.05708 
1 1 1   18    3   14 o  139.436   11.075   47.288   6.8977   46.357   11.510   47.810   8.6165  137.610   17.896  141.261   13.052 -3.650864 22.15007 
1 1 1   18    3   15 o  220.306   13.032  119.414   13.015  117.855   21.000  120.387   16.584  217.796   20.632  222.817   15.926 -5.021500 26.06349 
1 1 1   18    3   16 o  242.365   14.967  149.026   16.282  134.738   26.136  158.087   20.814  230.316   24.281  254.413   17.506 -24.09633 29.93379 
1 1 1   18    3   17 o   77.996   13.210   14.582   4.3678   17.705   8.3516   13.406   5.1246   82.794   21.421   73.197   15.465 9.597160 26.41982 
1 1 1   18    3   18 o   72.711   13.720   12.484   4.3572   16.051   8.3795   11.162   5.1010   78.882   21.935   66.540   16.488 12.34201 27.44022 
1 1 1   18    3   19 o  230.092   14.435  134.335   14.839  120.008   23.979  143.226   18.890  217.655   23.573  242.530   16.666 -24.87514 28.86931 
1 1 1   18    3   20 f  116.913   14.599   33.877   6.5143   36.270   13.726   33.181   7.4010  116.421   25.896  117.405   13.488 -0.9837875 29.19811 
1 1 1   18    3   21 o  105.736   14.258   25.941   5.8542   33.702   12.608   23.808   6.6099  112.329   24.690   99.142   14.266 13.18738 28.51533 
1 1 1   18    3   22 o   79.303   15.666   15.506   5.5330   18.939   10.676   14.245   6.4696   84.228   25.179   74.378   18.647 9.850098 31.33161 
1 1 1   18    3   23 o   88.928   13.675   19.932   5.4373   22.601   8.6385   18.181   6.9972   93.495   20.348   84.361   18.276 9.134315 27.35049 
1 1 1   18    3   24 f  113.210   12.231   32.736   6.0942   26.966   9.2765   37.117   8.0833  102.448   20.093  123.973   13.951 -21.52510 24.46144 
1 1 1   18    3   25 o  104.443   20.096   30.261   10.090   27.894   14.214   32.665   14.325  100.173   28.816  108.712   28.019 -8.538582 40.19246 
1 1 1   18    3   26 o  156.329   15.044   58.287   10.565   48.697   12.938   77.478   18.303  139.044   19.910  173.614   22.558 -34.56985 30.08721 
1 1 1   18    3   27 o  151.122   20.283   64.249   13.807   40.076   19.233   89.951   19.832  115.755   33.584  186.489   22.754 -70.73380 40.56630 
1 1 1   18    3   28 o   88.870   14.472   16.954   5.0406   29.349   11.219   13.819   5.6420  104.358   23.561   73.382   16.812 30.97524 28.94462 
1 1 1   18    3   29 o  134.611   10.166   42.069   6.1531   36.714   7.5572   52.599   10.598  123.022   13.144  146.199   15.511 -23.17640 20.33125 
1 1 1   18    3   30 o   50.643   12.738   3.2610   3.4283   0.9227   3.8855   11.479   7.2845   34.751   14.462   66.535   20.973 -31.78321 25.47586 
1 1 1   18    3   31 o  142.761   8.9926   46.131   5.7605   38.108   7.0421   62.355   10.014  125.561   12.001  159.961   13.396 -34.39964 17.98511 
1 1 1   18    3   32 f   54.857   13.063   7.3954   3.7084   7.8816   4.2783   5.9267   7.4364   55.557   15.753   54.157   20.842 1.399879 26.12561 
1 1 1   18    3   33 o   99.943   12.068   25.768   5.0328   26.346   6.0793   24.508   8.9721  104.095   12.496   95.791   20.650 8.304039 24.13631 
1 1 1   18    3   34 o  119.349   11.118   35.485   5.8731   35.489   7.2527   35.479   10.010  120.583   12.870  118.114   18.133 2.469246 22.23622 
1 1 1   18    3   35 o   41.021   12.352   1.0365   3.9192   1.1950   6.9462   0.9625   4.7469   44.423   18.954   37.619   15.842 6.804237 24.70332 
1 1 1   18    3   36 o   67.652   11.270   12.406   3.6535   15.747   4.7810   7.7177   5.6643   80.068   12.777   55.236   18.569 24.83287 22.53956 
1 1 1   18    3   37 o  129.863   9.0144   41.489   5.4627   39.931   7.4797   43.270   7.9972  127.352   12.567  132.373   12.927 -5.021286 18.02877 
1 1 1   18    3   38 o   46.518   10.439   2.6981   3.0163  -2.1335   3.7847   11.110   4.9938   28.136   12.864   64.899   16.444 -36.76270 20.87818 
1 1 1   18    3   39 o  113.107   10.482   31.797   5.3891   30.564   6.8224   33.842   8.7882  111.085   13.141  115.129   16.333 -4.044342 20.96350 
1 1 1   18    3   40 o   66.643   12.342   11.407   3.7824   9.4714   4.7143   14.906   6.3372   59.536   16.414   73.750   18.436 -14.21390 24.68405 
1 1 1   18    3   41 f   48.701   11.768   6.3777   3.4567   8.4938   3.9238  -0.9558   7.3046   56.491   14.715   40.911   18.368 15.58001 23.53526 
1 1 1   18    3   42 f   52.396   11.652   7.3060   3.7619   11.532   4.6942  -0.2798   6.2893   65.584   15.551   39.208   17.356 26.37642 23.30407 
1 1 1   18    3   43 o   88.485   10.796   20.410   4.3683   19.066   6.0387   21.886   6.3268   84.622   15.852   92.347   14.660 -7.724442 21.59111 
1 1 1   18    3   44 o  129.790   9.1242   43.195   5.4399   44.039   7.1360   42.023   8.4052  132.429   11.530  127.151   14.144 5.277878 18.24840 
1 1 1   18    3   45 o   67.930   14.479   13.034   4.6948   18.098   8.4662   10.785   5.6417   75.132   22.413   60.729   18.337 14.40283 28.95858 
1 1 1   18    3   46 o   51.941   13.662   7.6273   4.5796   9.5654   5.7685   4.3231   7.5317   56.818   18.729   47.063   19.895 9.755104 27.32335 
1 1 1   18    3   47 o   42.748   12.397   2.7664   4.5717   7.1695   5.3003 -10.0274   9.0349   50.259   17.905   35.237   17.150 15.02194 24.79324 
1 1 1   18    3   48 o   74.432   16.757   19.077   6.6085   23.896   9.9398   15.259   8.8470   82.457   24.207   66.407   23.179 16.05007 33.51435 
1 1 1   18    3   49 o   47.423   13.190   5.3096   4.4109   1.7073   5.8047   10.232   6.7854   38.763   16.932   56.082   20.228 -17.31890 26.37971 
1 1 1   18    4    0 o  167.931   8.4084   67.578   9.2251   67.578   9.2251   67.578   9.2251  167.931   11.891  167.931   11.891 -0.000000 0.000000 
1 1 1   18    4    1 o  211.452   9.1526  107.167   9.0428  109.420   12.764  104.897   12.813  213.750   12.778  209.153   13.108 4.597275 18.30521 
1 1 1   18    4    2 o   69.109   8.5343   11.878   2.6331   14.195   3.6107   9.2455   3.8482   77.354   9.9876   60.864   13.841 16.49030 17.06855 
1 1 1   18    4    3 o   96.155   7.6472   21.854   3.4194   23.317   5.1543   20.704   4.5697   98.959   11.145   93.351   10.474 5.608513 15.29443 
1 1 1   18    4    4 o  100.739   7.8594   24.140   3.6679   24.327   5.5744   23.996   4.8709  100.963   11.814  100.516   10.369 0.4479065 15.71879 
1 1 1   18    4    5 o  158.630   8.7283   61.021   6.3503   54.654   9.6364   65.908   8.4428  150.802   13.673  166.457   10.853 -15.65504 17.45665 
1 1 1   18    4    6 o  202.421   10.399   98.956   9.8291  103.281   13.866   94.588   13.935  207.032   14.331  197.811   15.074 9.221603 20.79865 
1 1 1   18    4    7 o  109.883   8.2937   28.883   4.2363   25.422   5.9756   32.380   6.0065  103.114   12.400  116.652   11.018 -13.53747 16.58750 
1 1 1   18    4    8 o   47.177   11.801   3.9151   3.1176   7.6765   5.5957   2.2218   3.7544   56.545   18.437   37.808   14.736 18.73699 23.60228 
1 1 1   18    4    9 o   65.450   15.129   10.741   4.5349   10.741   4.5349   0.0000   0.0000   65.450   15.129  ?   ?       ?      ? 
1 1 1   18    4   10 o  143.688   17.483   54.165   11.232   63.833   15.491   43.449   16.310  160.286   20.679  127.090   28.197 33.19610 34.96681 
1 1 1   18    4   11 o  156.741   13.810   61.550   9.6114   57.354   15.966   63.935   12.037  151.062   22.615  162.421   15.857 -11.35909 27.62029 
1 1 1   18    4   12 o  145.740   16.905   57.530   9.8208   47.262   18.012   61.874   11.715  131.642   29.952  159.837   15.683 -28.19522 33.80930 
1 1 1   18    4   13 o  127.735   11.628   39.752   6.8935   45.437   9.8287   34.249   9.6709  137.065   15.344  118.405   17.477 18.65952 23.25631 
1 1 1   18    4   14 o  154.703   13.014   57.281   8.0732   55.906   9.2529   61.666   16.523  152.781   12.959  156.626   22.572 -3.845306 26.02751 
1 1 1   18    4   15 o  222.745   11.270  118.185   11.548  109.098   14.852  132.079   18.363  212.592   14.948  232.898   16.871 -20.30542 22.54062 
1 1 1   18    4   16 o   88.272   12.800   20.713   4.8930   23.409   6.0351   15.541   8.3584   98.866   13.062   77.678   22.016 21.18764 25.59923 
1 1 1   18    4   17 o  170.959   10.815   69.088   8.4888   62.971   10.854   78.719   13.621  161.761   14.358  180.157   16.178 -18.39598 21.63032 
1 1 1   18    4   18 o  259.676   14.698  167.954   17.438  168.984   22.513  166.408   27.572  262.403   18.358  256.949   22.960 5.453674 29.39697 
1 1 1   18    4   19 o   97.739   11.208   22.867   5.0518   21.162   6.5417   25.386   7.9516   93.498   14.971  101.980   16.684 -8.481407 22.41592 
1 1 1   18    4   20 o   64.540   14.159   10.865   4.4082   11.967   4.9687   6.7937   9.5534   68.783   15.791   60.298   23.506 8.485168 28.31731 
1 1 1   18    4   21 o   82.605   14.953   18.722   5.5337   20.530   6.3789   13.222   11.124   91.906   14.851   73.303   25.958 18.60296 29.90621 
1 1 1   18    4   22 o  128.074   16.108   41.691   9.2840   38.885   11.983   45.905   14.684  124.454   20.602  131.695   24.767 -7.241165 32.21605 
1 1 1   18    4   23 o  125.990   10.283   37.779   5.9106   35.568   7.4915   41.425   9.6196  121.582   13.184  130.398   15.785 -8.815857 20.56676 
1 1 1   18    4   24 f  126.552   10.237   39.524   5.7641   41.442   7.2474   36.220   9.5092  131.571   11.786  121.533   16.742 10.03860 20.47462 
1 1 1   18    4   25 o   80.897   12.283   17.535   4.2713   19.350   5.1445   13.508   7.6635   89.718   12.269   72.076   21.282 17.64186 24.56545 
1 1 1   18    4   26 o  178.933   14.462   81.219   9.8548   81.385   11.152   80.626   21.053  183.512   13.003  174.354   25.837 9.157944 28.92459 
1 1 1   18    4   27 o   82.086   15.484   16.977   5.2493   16.393   5.8993   19.195   11.504   80.285   16.280   83.887   26.343 -3.602074 30.96712 
1 1 1   18    4   28 o   88.738   13.797   20.217   5.5470   17.094   7.3623   24.317   8.4361   80.711   19.693   96.765   19.331 -16.05321 27.59484 
1 1 1   18    4   29 o  111.066   11.635   29.901   5.9414   27.019   7.6191   34.372   9.4908  104.722   15.568  117.410   17.296 -12.68729 23.27049 
1 1 1   18    4   30 o  209.641   13.461  114.215   12.624   98.406   20.022  124.646   16.264  194.516   22.025  224.766   15.483 -30.25053 26.92249 
1 1 1   18    4   31 o  103.701   12.269   27.410   5.6161   26.834   9.0425   27.771   7.1656  101.052   19.855  106.349   14.417 -5.297195 24.53742 
1 1 1   18    4   32 o  169.079   11.137   70.781   8.6255   72.207   13.646   69.831   11.131  169.510   17.225  168.648   14.123 0.8622284 22.27453 
1 1 1   18    4   33 o  133.826   11.157   43.943   6.8218   47.707   11.023   41.607   8.6846  137.665   17.133  129.987   14.296 7.678345 22.31393 
1 1 1   18    4   34 o  168.309   9.5481   69.458   7.4828   62.026   10.438   77.317   10.733  158.704   14.072  177.913   12.909 -19.20865 19.09620 
1 1 1   18    4   35 o  118.230   10.070   34.929   5.4973   38.186   7.4891   31.123   8.0949  124.886   12.831  111.575   15.524 13.31174 20.14044 
1 1 1   18    4   36 o  107.499   8.6422   27.438   4.2312   24.614   5.3154   32.322   6.9905  100.546   11.312  114.452   13.069 -13.90593 17.28447 
1 1 1   18    4   37 o   61.231   11.583   9.7544   3.2929   9.3956   4.1318   10.379   5.4515   60.095   14.808   62.368   17.816 -2.272987 23.16656 
1 1 1   18    4   38 o   63.289   10.721   9.0310   3.2205   4.5998   3.9875   17.343   5.4614   44.358   15.557   82.220   14.755 -37.86186 21.44127 
1 1 1   18    4   39 o   55.080   12.817   8.0624   3.8629   9.4545   4.7268   5.2633   6.7028   59.721   16.424   50.439   19.682 9.282200 25.63403 
1 1 1   18    4   40 o   48.713   11.787   6.0814   3.0875   6.7495   3.5604   4.0555   6.2002   50.793   14.360   46.634   18.695 4.158390 23.57362 
1 1 1   18    4   41 o   64.096   12.218   9.9618   3.5155   7.5898   4.1675   15.814   6.5461   53.220   15.688   74.972   18.735 -21.75235 24.43639 
1 1 1   18    4   42 o   99.588   12.573   24.934   4.8877   23.273   5.5710   30.486   10.186   96.576   12.343  102.601   21.909 -6.024521 25.14617 
1 1 1   18    4   43 o   37.142   10.842   1.7566   2.9947   1.3212   3.8489   2.4244   4.7672   34.599   14.396   39.685   16.216 -5.085800 21.68417 
1 1 1   18    4   44 o   34.207   10.207   0.6767   2.9855   3.0823   3.7640  -3.4043   4.9025   38.365   14.810   30.050   14.050 8.314581 20.41401 
1 1 1   18    4   45 o   73.001   12.531   15.608   4.2784   12.688   6.2448   18.191   5.8733   65.082   19.210   80.921   16.097 -15.83866 25.06240 
1 1 1   18    4   46 o   59.120   12.669   8.3167   4.4810   0.7052   5.8411   19.203   6.9857   38.140   16.813   80.100   18.956 -41.96045 25.33761 
1 1 1   18    4   47 o   41.446   12.350   1.6753   4.1551  -1.6592   5.3891   6.5635   6.5249   33.407   15.302   49.485   19.389 -16.07769 24.69950 
1 1 1   18    4   48 o   82.924   13.743   22.110   5.4701   26.964   7.1982   15.477   8.4154   98.745   15.598   67.103   22.633 31.64163 27.48694 
1 1 1   18    4   49 o   46.237   12.382   5.3142   4.2759   9.9979   5.4752  -2.0085   6.8460   56.438   18.225   36.035   16.766 20.40290 24.76339 
1 1 1   18    5    0 o  185.703   8.5074   82.463   10.341   82.463   10.341   82.463   10.341  185.703   12.031  185.703   12.031 -0.000000 0.000000 
1 1 1   18    5    1 o   79.745   7.4237   15.126   2.7598   16.413   3.9166   13.857   3.8895   83.169   10.076   76.320   10.905 6.849564 14.84735 
1 1 1   18    5    2 o   89.270   7.4487   19.028   3.0885   21.178   4.3353   16.813   4.4011   94.513   9.8148   84.027   11.207 10.48607 14.89746 
1 1 1   18    5    3 o  113.785   8.0941   31.567   4.1989   26.117   6.2869   35.955   5.6416  104.417   12.883  123.153   9.8021 -18.73524 16.18811 
1 1 1   18    5    4 o   67.285   8.2976   10.938   2.5517   10.096   3.5330   11.856   3.6893   64.001   12.258   70.568   11.187 -6.566879 16.59525 
1 1 1   18    5    5 o  146.278   8.0828   51.242   5.4595   52.875   7.2565   49.111   8.2876  149.219   10.405  143.337   12.372 5.882355 16.16566 
1 1 1   18    5    6 o  116.466   8.7071   32.145   4.4583   31.627   5.4334   33.212   7.7999  115.469   10.068  117.462   14.208 -1.993050 17.41416 
1 1 1   18    5    7 o  245.484   11.240  146.386   12.734  148.048   16.811  144.148   19.506  247.862   14.512  243.107   17.168 4.754807 22.48011 
1 1 1   18    5    8 o  150.402   14.593   60.472   8.3487   49.140   16.154   64.602   9.7521  136.481   26.280  164.323   12.699 -27.84163 29.18681 
1 1 1   18    5    9 o  223.211   15.637  122.288   14.073  129.945   28.377  119.791   16.207  223.967   27.111  222.456   15.589 1.510620 31.27317 
1 1 1   18    5   10 o  154.555   11.019   58.081   7.9129   54.684   11.604   61.034   10.818  149.967   16.556  159.144   14.546 -9.176666 22.03838 
1 1 1   18    5   11 f  118.920   13.608   31.832   7.0307   47.520   12.677   24.862   8.4493  138.722   19.553   99.117   18.931 39.60585 27.21550 
1 1 1   18    5   12 o   81.974   11.466   16.473   4.2967   12.511   5.8336   21.172   6.3523   70.215   17.764   93.732   14.501 -23.51626 22.93108 
1 1 1   18    5   13 o   49.725   11.033   5.6566   2.9682   3.2516   4.0711   8.3860   4.3370   41.570   15.551   57.880   15.655 -16.31038 22.06639 
1 1 1   18    5   14 o  161.967   9.7462   63.017   7.3773   63.332   10.437   62.703   10.429  162.381   13.753  161.553   13.814 0.8279572 19.49231 
1 1 1   18    5   15 o  222.305   12.814  121.136   12.943  120.321   20.805  121.651   16.532  220.470   20.192  224.141   15.782 -3.671188 25.62727 
1 1 1   18    5   16 o  332.458   19.242  284.111   29.339  276.069   37.869  296.184   46.401  329.575   24.586  335.341   29.607 -5.766113 38.48451 
1 1 1   18    5   17 o  111.130   10.959   29.610   5.6627   27.108   7.5563   32.816   8.5523  105.881   15.270  116.379   15.724 -10.49804 21.91891 
1 1 1   18    5   18 o  121.955   9.5383   35.716   5.3914   36.142   8.1826   35.389   7.1671  122.382   14.307  121.529   12.619 0.8527756 19.07658 
1 1 1   18    5   19 f  114.049   10.173   31.269   5.3631   25.414   7.2843   38.201   7.9254  102.226   15.247  125.873   13.472 -23.64716 20.34658 
1 1 1   18    5   20 o  233.377   12.309  131.079   13.255  113.936   17.172  156.349   20.850  215.180   17.076  251.573   17.733 -36.39258 24.61827 
1 1 1   18    5   21 o  119.213   8.9902   33.196   4.9365   27.369   6.4091   41.696   7.7405  106.675   12.855  131.751   12.571 -25.07566 17.98040 
1 1 1   18    5   22 o  137.221   9.4138   45.334   6.0367   45.960   8.5458   44.711   8.5287  138.191   13.232  136.251   13.394 1.940308 18.82764 
1 1 1   18    5   23 f   88.357   11.866   19.376   4.3397   19.256   5.1345   19.675   8.1198   89.612   12.260   87.103   20.319 2.508774 23.73122 
1 1 1   18    5   24 o   83.805   11.535   14.738   4.2011   9.4880   4.9783   27.727   7.8302   61.120   16.874  106.490   15.733 -45.36948 23.07093 
1 1 1   18    5   25 f   97.203   13.272   25.114   5.4477   20.960   9.5542   27.115   6.6313   88.563   22.910  105.843   13.406 -17.28063 26.54428 
1 1 1   18    5   26 o  105.341   9.3308   25.543   4.4768   20.795   5.6275   33.727   7.3884   92.724   12.986  117.958   13.402 -25.23405 18.66159 
1 1 1   18    5   27 o  208.326   13.848  109.693   13.476  114.799   19.319  104.855   18.806  213.202   19.389  203.451   19.778 9.751266 27.69694 
1 1 1   18    5   28 o  124.683   13.307   35.736   5.7999   33.629   6.3574   46.198   14.164  118.243   11.504  131.122   23.998 -12.87861 26.61312 
1 1 1   18    5   29 o  138.607   11.112   47.496   7.1387   47.984   9.5483   46.877   10.750  139.922   14.601  137.292   16.753 2.630478 22.22341 
1 1 1   18    5   30 o   33.207   10.731  -0.6967   2.3433  -0.6107   2.4797  -1.4150   7.1650   24.855   10.956   41.558   18.455 -16.70283 21.46161 
1 1 1   18    5   31 o   52.540   11.083   7.3038   2.8834   8.3637   3.3807   4.4751   5.5227   57.587   12.884   47.493   18.036 10.09443 22.16538 
1 1 1   18    5   32 o   54.257   10.697   5.3832   2.8371   2.1988   3.3434   13.575   5.3626   35.997   13.941   72.517   16.228 -36.52031 21.39389 
1 1 1   18    5   33 o   76.584   11.410   15.455   3.9668   17.908   5.2024   12.048   6.1310   85.625   13.000   67.543   18.756 18.08185 22.82066 
1 1 1   18    5   34 o   51.390   11.296   6.8549   2.9371   7.7023   3.4727   4.7253   5.5051   54.968   13.594   47.812   18.044 7.155884 22.59138 
1 1 1   18    5   35 o   50.157   12.417   5.8755   3.5462   5.0609   4.6038   7.0641   5.5611   46.844   16.687   53.471   18.393 -6.626675 24.83493 
1 1 1   18    5   36 o  156.329   11.204   63.245   7.9427   54.275   12.167   69.906   10.485  144.688   17.993  167.969   13.357 -23.28130 22.40897 
1 1 1   18    5   37 o   54.067   18.522   7.3489   5.6372   0.0000   0.0000   7.3489   5.6372  ?   ?    54.067   18.522      ?      ? 
1 1 1   18    5   38 o   44.295   11.644   4.1474   3.4148   6.3428   4.0562  -1.1953   6.3277   49.886   15.639   38.704   17.256 11.18130 23.28774 
1 1 1   18    5   39 o   66.302   11.845   12.919   3.5838   14.706   4.1143   7.2972   7.2963   77.442   11.368   55.163   20.783 22.27950 23.68901 
1 1 1   18    5   40 o   56.567   11.770   8.6897   3.1796   9.0098   3.7764   7.9102   5.8932   58.511   13.998   54.622   18.926 3.888279 23.54021 
1 1 1   18    5   41 o   49.839   12.470   6.3513   3.2693   6.8993   3.6094   3.8477   7.7148   51.074   14.465   48.605   20.316 2.468342 24.93936 
1 1 1   18    5   42 o  135.307   9.3721   44.212   5.6796   39.756   6.9621   53.077   9.8203  126.584   11.768  144.030   14.589 -17.44613 18.74410 
1 1 1   18    5   43 o   51.097   12.994   6.4159   3.9827   4.1784   5.2260   9.5160   6.1512   44.255   17.348   57.939   19.351 -13.68406 25.98876 
1 1 1   18    5   44 f   96.117   12.263   27.283   5.1355   16.758   7.6237   36.026   6.9484   73.634   21.081  118.600   12.536 -44.96590 24.52660 
1 1 1   18    5   45 o   78.958   14.764   16.271   5.2282   29.930   9.9545   11.068   6.1438   97.242   22.370   60.674   19.275 36.56819 29.52867 
1 1 1   18    5   46 o   48.713   12.594   6.3792   4.3725  -3.8154   8.4371   10.123   5.1126   38.747   18.216   58.680   17.397 -19.93294 25.18899 
1 1 1   18    5   47 o   68.838   15.383   15.367   5.2437   15.173   6.0820   15.931   10.351   71.260   18.198   66.416   24.806 4.844261 30.76567 
1 1 1   18    5   48 o   46.047   13.892   4.2866   5.3830   1.3880   8.1311   6.5483   7.1822   42.886   19.306   49.208   19.982 -6.321842 27.78465 
1 1 1   18    5   49 o   54.404   15.089   9.6563   5.5622   12.229   8.4863   7.7186   7.3648   58.388   22.314   50.419   20.318 7.968987 30.17837 
1 1 1   18    6    0 o  151.587   7.7623   55.005   7.6833   55.005   7.6833   55.005   7.6833  151.587   10.978  151.587   10.978 -0.000000 0.000000 
1 1 1   18    6    1 o  167.236   8.0661   66.690   6.2932   62.218   8.8996   71.163   8.9002  161.513   11.790  172.958   11.011 -11.44551 16.13215 
1 1 1   18    6    2 o  206.881   9.1686  102.639   8.8432   94.368   12.482  110.973   12.530  198.304   13.469  215.459   12.444 -17.15477 18.33718 
1 1 1   18    6    3 o  143.035   7.9614   48.671   5.2836   48.415   7.0549   48.999   7.9734  142.761   10.574  143.308   11.905 -0.5471954 15.92284 
1 1 1   18    6    4 o  280.972   14.108  194.360   17.456  192.407   21.379  198.265   30.231  281.497   16.251  280.446   23.066 1.050842 28.21561 
1 1 1   18    6    5 o  195.850   11.773   94.710   10.433   99.857   13.436   86.892   16.558  203.743   14.110  187.958   18.850 15.78458 23.54584 
1 1 1   18    6    6 o  171.802   10.404   69.930   8.2686   80.248   12.863   62.665   10.794  182.269   15.101  161.335   14.316 20.93466 20.80813 
1 1 1   18    6    7 o  214.208   11.881  113.618   11.109  105.823   19.115  117.594   13.651  206.915   19.767  221.501   13.187 -14.58662 23.76233 
1 1 1   18    6    8 o  249.874   11.688  151.931   13.617  139.547   19.175  164.530   19.341  239.220   17.151  260.527   15.885 -21.30672 23.37693 
1 1 1   18    6    9 o  305.010   15.670  230.491   21.988  218.142   28.400  248.968   34.740  296.428   20.500  313.592   23.704 -17.16418 31.33899 
1 1 1   18    6   10 o  289.321   21.632  223.756   24.751  225.578   28.585  218.298   49.478  301.612   20.279  277.030   38.216 24.58109 43.26313 
1 1 1   18    6   11 o  297.154   17.447  225.123   24.191  211.035   34.141  239.327   34.282  287.024   25.451  307.285   23.872 -20.26172 34.89464 
1 1 1   18    6   12 o  321.669   20.878  272.989   31.381  277.100   44.276  268.839   44.482  324.513   29.194  318.825   29.853 5.687683 41.75529 
1 1 1   18    6   13 o  285.122   16.942  206.443   22.443  182.253   31.685  230.801   31.794  266.946   25.397  303.297   22.431 -36.35150 33.88420 
1 1 1   18    6   14 o  275.342   15.376  190.460   19.267  183.314   30.514  195.197   24.846  268.835   24.287  281.849   18.862 -13.01389 30.75109 
1 1 1   18    6   15 o  206.510   14.843  101.118   12.521  116.736   25.309   96.056   14.408  213.722   25.338  199.298   15.468 14.42404 29.68689 
1 1 1   18    6   16 o  191.173   16.619   94.799   12.392   87.618   25.134   97.105   14.244  181.975   29.553  200.372   15.211 -18.39610 33.23746 
1 1 1   18    6   17 o  141.851   15.967   52.416   9.3015   49.026   16.818   53.910   11.165  134.906   27.604  148.796   16.055 -13.89050 31.93373 
1 1 1   18    6   18 o  121.158   16.036   40.173   8.0036   32.394   14.379   43.665   9.6338  108.397   28.138  133.919   15.393 -25.52261 32.07293 
1 1 1   18    6   19 o  209.634   14.340  110.551   14.021  105.438   20.105  115.393   19.564  204.340   21.053  214.927   19.477 -10.58708 28.68069 
1 1 1   18    6   20 o  100.898   15.291   28.117   6.7278   20.544   11.720   31.838   8.2163   87.431   26.437  114.365   15.372 -26.93442 30.58121 
1 1 1   18    6   21 o  119.446   11.250   35.699   5.9006   31.770   9.8962   37.866   7.3499  113.266   18.695  125.625   12.519 -12.35861 22.49950 
1 1 1   18    6   22 o  118.575   10.440   31.241   5.5356   46.038   9.6394   23.961   6.7616  137.702   14.978   99.447   14.548 38.25517 20.88086 
1 1 1   18    6   23 o  100.704   11.668   24.580   5.0505   27.231   8.8806   23.312   6.1401  103.147   19.127   98.261   13.371 4.885849 23.33672 
1 1 1   18    6   24 o   67.503   13.216   10.414   4.0270   15.898   7.5347   8.2206   4.7645   77.901   20.440   57.105   16.758 20.79597 26.43122 
1 1 1   18    6   25 o   87.670   12.623   18.434   4.7354   23.929   8.4856   15.949   5.7066   96.028   19.572   79.312   15.948 16.71569 25.24693 
1 1 1   18    6   26 o   87.911   13.921   19.930   5.4716   21.526   8.7878   18.920   6.9924   90.151   21.212   85.671   18.035 4.479362 27.84218 
1 1 1   18    6   27 o  136.493   12.599   46.980   7.9295   43.234   11.886   49.985   10.645  130.686   19.460  142.300   16.006 -11.61391 25.19728 
1 1 1   18    6   28 o  136.861   15.186   40.590   8.6254   67.781   18.023   32.512   9.8234  160.098   24.088  113.624   18.499 46.47348 30.37192 
1 1 1   18    6   29 o  127.402   18.271   43.937   8.4098   45.293   19.511   43.627   9.3199  121.652   33.332  133.153   14.977 -11.50102 36.54180 
1 1 1   18    6   30 o  195.938   14.783   99.380   13.536  100.510   19.278   98.281   19.011  197.008   20.938  194.868   20.874 2.139221 29.56551 
1 1 1   18    6   31 o   94.041   15.021   24.039   6.9182   12.302   9.7948   35.723   9.7730   69.064   24.369  119.019   17.570 -49.95470 30.04208 
1 1 1   18    6   32 o   50.832   13.965   1.2643   5.4242  -6.6492   7.2536   11.303   8.1697   35.701   16.817   65.964   22.300 -30.26336 27.92966 
1 1 1   18    6   33 o   79.584   11.124   15.456   4.0240   11.501   5.2140   21.282   6.3282   66.403   16.791   92.765   14.597 -26.36145 22.24849 
1 1 1   18    6   34 o   74.979   11.461   13.941   3.8448   11.018   4.8943   18.652   6.2134   64.998   16.176   84.961   16.240 -19.96285 22.92200 
1 1 1   18    6   35 o   59.809   15.340   9.3606   5.4835  -1.2619   12.981   11.668   6.0498   53.766   24.280   65.851   18.754 -12.08533 30.67958 
1 1 1   18    6   36 o   44.805   12.011   3.8857   3.2952   3.1245   4.0256   5.4313   5.7366   40.197   15.367   49.412   18.465 -9.215092 24.02297 
1 1 1   18    6   37 o   77.258   11.710   13.239   3.7765   9.8737   4.3874   22.861   7.4191   61.496   15.322   93.020   17.713 -31.52371 23.42003 
1 1 1   18    6   38 f   45.127   12.676   2.9004   4.3187   6.6627   5.6918  -2.2052   6.6304   52.120   18.556   38.135   17.275 13.98487 25.35265 
1 1 1   18    6   39 o   66.214   13.147   12.026   4.2504   10.307   5.8142   14.000   6.2292   61.279   18.641   71.149   18.545 -9.869354 26.29414 
1 1 1   18    6   40 f   67.029   13.756   9.8808   4.7571   22.872   8.4866   3.9284   5.7445   88.964   20.786   45.094   18.025 43.86967 27.51270 
1 1 1   18    6   41 o   48.157   11.865   5.8997   3.4234   7.7147   4.2217   2.4145   5.8502   53.771   15.773   42.543   17.729 11.22791 23.72956 
1 1 1   18    6   42 o   71.421   13.289   14.703   4.8039   20.441   6.6358   8.3835   6.9634   86.749   16.975   56.092   20.452 30.65769 26.57897 
1 1 1   18    6   43 o   60.570   12.963   9.8997   3.8124   8.2253   4.6587   13.295   6.6336   54.325   16.716   66.814   19.819 -12.48927 25.92668 
1 1 1   18    6   44 o   65.434   12.186   12.073   3.7199   11.064   4.7933   13.599   5.8985   62.651   16.237   68.217   18.174 -5.566063 24.37135 
1 1 1   18    6   45 o   98.552   12.063   27.597   5.3042   20.799   7.4488   34.589   7.5549   83.000   19.529  114.104   14.167 -31.10390 24.12646 
1 1 1   18    6   46 o   64.868   15.109   13.429   5.1211   14.339   9.1029   13.008   6.1942   64.618   23.411   65.118   19.107 -0.4994965 30.21802 
1 1 1   18    6   47 o   64.069   15.983   13.687   6.4328   19.868   8.9589   7.1087   9.2426   75.954   23.146   52.184   22.048 23.77042 31.96672 
1 1 1   18    6   48 o   55.873   15.730   10.490   6.1287   9.8632   8.1672   11.298   9.2720   54.763   21.618   56.984   22.856 -2.220707 31.45984 
1 1 1   18    7    0 o  423.543   19.851  448.610   55.009  448.610   55.009  448.610   55.009  423.543   28.073  423.543   28.073 -0.000000 0.000000 
1 1 1   18    7    1 f  148.121   8.1018   52.018   5.5683   50.315   7.3936   54.251   8.4640  145.471   10.875  150.770   12.012 -5.298660 16.20365 
1 1 1   18    7    2 o   63.839   8.6360   10.180   2.4702   8.3856   3.7669   11.533   3.2720   57.942   14.055   69.736   10.040 -11.79321 17.27204 
1 1 1   18    7    3 o  164.522   10.296   65.657   7.7463   63.000   12.130   67.487   10.066  161.133   16.107  167.911   12.828 -6.777817 20.59108 
1 1 1   18    7    4 o  294.204   14.036  214.068   19.298  210.932   27.260  217.218   27.323  291.938   19.980  296.471   19.720 -4.532990 28.07263 
1 1 1   18    7    5 o  101.115   8.3608   24.386   3.9026   19.645   5.3870   29.624   5.6614   90.608   12.721  111.623   10.853 -21.01496 16.72165 
1 1 1   18    7    6 o  213.046   12.076  109.685   11.810  105.614   15.216  115.852   18.729  208.857   15.589  217.236   18.447 -8.378677 24.15193 
1 1 1   18    7    7 o  149.137   9.4644   53.917   6.0995   54.899   7.3882   51.816   10.809  152.059   10.396  146.215   15.818 5.844162 18.92872 
1 1 1   18    7    8 o  171.301   8.7639   69.850   6.9065   68.539   8.9726   71.756   10.819  169.656   11.316  172.947   13.385 -3.291977 17.52778 
1 1 1   18    7    9 o  219.650   9.8075  114.467   9.9724  105.738   13.062  126.668   15.442  209.980   13.310  229.320   14.408 -19.34027 19.61500 
1 1 1   18    7   10 o  294.858   11.384  211.130   15.664  223.640   22.126  198.560   22.179  303.972   15.575  285.744   16.608 18.22723 22.76855 
1 1 1   18    7   11 o  208.104   11.373  105.004   10.328  104.983   12.561  105.047   18.148  209.452   12.832  206.757   18.781 2.695251 22.74624 
1 1 1   18    7   12 o   66.343   14.617   11.647   5.1699   3.8189   10.073   14.446   6.0238   57.114   23.481   75.572   17.414 -18.45812 29.23375 
1 1 1   18    7   13 o  132.616   12.697   42.060   7.8694   0.0000   0.0000   42.060   7.8694  ?   ?   132.616   12.697      ?      ? 
1 1 1   18    7   14 o  151.980   15.068   58.556   8.7479   57.382   17.795   58.930   10.046  147.344   26.830  156.616   13.724 -9.271820 30.13613 
1 1 1   18    7   15 o  155.986   15.036   60.423   10.308   62.355   17.950   59.472   12.591  156.069   24.610  155.902   17.281 0.1663055 30.07150 
1 1 1   18    7   16 o  101.291   14.961   26.054   6.6253   26.858   11.464   25.651   8.1183  100.305   24.635  102.278   16.984 -1.972893 29.92203 
1 1 1   18    7   17 o  120.555   11.789   35.657   6.6269   38.826   9.4770   32.626   9.2703  125.991   16.095  115.119   17.231 10.87156 23.57840 
1 1 1   18    7   18 o   70.221   13.934   12.547   4.7700   14.920   7.0828   10.577   6.4528   75.869   19.774   64.574   19.636 11.29478 27.86766 
1 1 1   18    7   19 o  145.964   10.882   51.202   7.3045   55.367   11.569   48.441   9.4192  150.424   16.457  141.503   14.243 8.921417 21.76461 
1 1 1   18    7   20 o  216.160   11.778  114.561   11.639  113.290   18.382  115.410   15.038  214.099   18.371  218.220   14.745 -4.121216 23.55677 
1 1 1   18    7   21 o  110.252   12.584   32.632   5.8189   22.866   9.3660   38.771   7.4259   93.424   21.842  127.080   12.503 -33.65621 25.16791 
1 1 1   18    7   22 o  149.725   14.586   58.198   8.4788   54.479   16.608   59.508   9.8606  142.509   25.890  156.941   13.444 -14.43265 29.17260 
1 1 1   18    7   23 o   75.891   12.598   13.361   4.3013   21.284   7.4084   9.3315   5.2829   91.192   18.022   60.590   17.608 30.60165 25.19559 
1 1 1   18    7   24 o   72.070   13.283   13.895   4.4064   11.398   7.7245   15.099   5.3650   66.832   21.654   77.307   15.390 -10.47463 26.56592 
1 1 1   18    7   25 o   69.424   14.661   11.870   4.8631   15.025   8.6146   10.395   5.8916   75.264   22.644   63.584   18.628 11.67926 29.32159 
1 1 1   18    7   26 o  170.600   12.207   72.352   9.4217   72.869   15.345   72.039   11.937  169.749   19.343  171.450   14.897 -1.701202 24.41456 
1 1 1   18    7   27 o  109.274   13.881   30.252   6.8159   33.266   10.829   28.274   8.7714  112.237   21.426  106.312   17.654 5.924461 27.76199 
1 1 1   18    7   28 o  175.736   22.746   95.843   15.977   75.413   29.257  104.525   19.072  149.453   40.761  202.018   20.200 -52.56531 45.49169 
1 1 1   18    7   29 o   99.892   17.329   30.577   6.9514   19.418   16.937   32.837   7.6231   84.032   31.664  115.753   14.091 -31.72038 34.65800 
1 1 1   18    7   30 o  157.713   12.928   65.178   8.8837   55.833   14.829   70.410   11.095  146.032   21.728  169.393   14.015 -23.36093 25.85577 
1 1 1   18    7   31 o   99.035   14.472   24.868   6.0881   29.913   11.020   22.652   7.3040  104.426   23.184   93.643   17.328 10.78337 28.94374 
1 1 1   18    7   32 o  123.496   14.536   40.129   8.1808   39.545   11.983   40.639   11.196  121.163   21.971  125.828   19.039 -4.664551 29.07192 
1 1 1   18    7   33 o  156.271   13.728   63.385   9.9929   58.870   14.270   67.730   13.998  150.043   20.351  162.499   18.432 -12.45554 27.45690 
1 1 1   18    7   34 o  178.257   21.525  104.871   15.350   69.579   26.134  123.457   18.966  138.502   38.817  218.012   18.614 -79.51051 43.04925 
1 1 1   18    7   35 o  111.677   16.594   34.672   7.4041   35.807   15.061   34.310   8.5024  106.920   29.281  116.434   15.625 -9.513725 33.18896 
1 1 1   18    7   36 o   53.598   14.326   5.2716   5.8731 -11.6999   11.369   11.449   6.8592   42.152   20.193   65.045   20.327 -22.89283 28.65224 
1 1 1   18    7   37 o   78.432   11.448   15.101   3.4861   14.408   3.9365   17.618   7.5053   76.931   10.949   79.933   20.109 -3.002396 22.89613 
1 1 1   18    7   38 o   86.264   12.035   19.545   4.4079   19.369   5.3043   19.938   7.9242   88.205   12.867   84.323   20.342 3.881706 24.07035 
1 1 1   18    7   39 o   50.747   11.872   6.0773   3.1617   4.4078   3.8695   9.4307   5.4840   42.960   15.299   58.535   18.157 -15.57531 23.74327 
1 1 1   18    7   40 o   69.727   11.836   12.906   3.7290   11.624   4.7352   15.000   6.0504   65.777   15.634   73.677   17.776 -7.899971 23.67271 
1 1 1   18    7   41 o   38.768   12.352  -1.0187   4.5590  -6.2977   8.6408   1.0178   5.3668   38.793   18.298   38.742   16.599 0.5116653E-01 24.70495 
1 1 1   18    7   42 o   70.895   15.431   13.942   5.5452   22.036   9.3607   9.5662   6.8829   83.867   23.132   57.922   20.429 25.94434 30.86114 
1 1 1   18    7   43 o   60.754   11.533   8.0477   3.8182   1.5132   4.7537   19.927   6.4093   37.139   15.758   84.368   16.845 -47.22920 23.06691 
1 1 1   18    7   44 o   62.145   12.615   12.915   4.1097   15.200   4.6073   4.0180   9.0913   75.431   13.568   48.859   21.270 26.57216 25.22926 
1 1 1   18    7   45 o   33.212   11.293  -4.5326   3.8370  -5.2176   4.2856  -1.7649   8.6140   25.377   12.219   41.047   18.996 -15.66997 22.58688 
1 1 1   18    7   46 o   67.461   14.547   10.647   4.7914   5.4616   5.5368   26.111   9.5615   46.257   17.933   88.665   22.910 -42.40851 29.09418 
1 1 1   18    7   47 o   45.735   13.667   2.8236   4.2386   0.6910   4.7933   10.471   9.0769   34.946   15.322   56.524   22.634 -21.57864 27.33309 
1 1 1   18    7   48 o   48.787   13.984   6.5812   4.5303   6.2798   5.2030   7.5260   9.2113   46.707   17.560   50.866   21.768 -4.159233 27.96792 
1 1 1   18    8    0 o  158.069   11.476   61.301   11.699   61.301   11.699   61.301   11.699  158.069   16.229  158.069   16.229 -0.000000 0.000000 
1 1 1   18    8    1 o   60.934   8.8239   8.6372   2.4668   13.084   3.8751   5.6074   3.1987   74.141   11.183   47.727   13.652 26.41454 17.64787 
1 1 1   18    8    2 o   47.904   10.428   5.5538   2.5633   5.4680   3.5935   5.6426   3.6576   47.567   14.688   48.242   14.806 -0.6756287 20.85564 
1 1 1   18    8    3 o  126.471   8.3759   38.221   4.9376   41.303   6.9766   35.128   6.9891  131.698   11.335  121.245   12.334 10.45281 16.75173 
1 1 1   18    8    4 o  105.328   8.1566   26.460   4.0091   28.084   5.6687   24.836   5.6708  108.628   11.166  102.028   11.893 6.599556 16.31312 
1 1 1   18    8    5 o  208.794   9.7584  104.672   9.3988  104.285   12.339  105.207   14.507  208.794   12.645  208.793   14.867 0.6256104E-03 19.51687 
1 1 1   18    8    6 o  125.664   8.5726   37.619   5.0261   36.343   6.8712   39.089   7.3710  123.422   11.912  127.906   12.331 -4.483902 17.14513 
1 1 1   18    8    7 o  181.489   8.6079   79.314   7.1951   74.135   10.933   83.270   9.5560  175.842   13.304  187.136   10.926 -11.29404 17.21583 
1 1 1   18    8    8 o  253.646   11.211  156.525   13.116  151.308   20.026  160.445   17.357  249.134   17.199  258.158   14.386 -9.023758 22.42285 
1 1 1   18    8    9 o  246.327   9.8457  146.945   11.165  137.997   17.012  153.715   14.797  239.026   15.228  253.629   12.484 -14.60298 19.69139 
1 1 1   18    8   10 o   88.663   9.4401   18.660   3.8838   17.390   5.1351   20.358   5.9367   85.247   12.889   92.078   13.796 -6.831200 18.88010 
1 1 1   18    8   11 o   39.748   11.451   0.8829   3.3081  -0.9244   4.1472   4.0444   5.4851   32.309   14.207   47.188   17.962 -14.87872 22.90142 
1 1 1   18    8   12 f   87.450   17.993   19.347   7.1084   0.0000   0.0000   19.347   7.1084  ?   ?    87.450   17.993      ?      ? 
1 1 1   18    8   13 f  163.585   17.099   65.435   13.072   0.0000   0.0000   65.435   13.072  ?   ?   163.585   17.099      ?      ? 
1 1 1   18    8   14 o   79.691   18.910   16.319   6.9370   0.0000   0.0000   16.319   6.9370  ?   ?    79.691   18.910      ?      ? 
1 1 1   18    8   15 o   55.504   13.507   7.0933   4.3077   8.9768   6.0388   5.1418   6.1468   60.145   19.110   50.863   19.093 9.282276 27.01371 
1 1 1   18    8   16 o  189.982   13.062   89.727   11.558   81.694   16.344   97.763   16.347  180.934   19.329  199.030   17.574 -18.09625 26.12351 
1 1 1   18    8   17 o  160.585   11.810   65.779   8.4245   52.204   13.218   75.066   10.933  144.659   19.551  176.511   13.253 -31.85204 23.61946 
1 1 1   18    8   18 o   99.817   11.714   25.241   5.1459   22.294   8.0970   27.238   6.6650   93.295   19.210  106.339   13.411 -13.04367 23.42841 
1 1 1   18    8   19 o   89.668   12.284   22.150   4.8217   12.607   7.6056   28.562   6.2347   70.172   21.314  109.164   12.221 -38.99271 24.56868 
1 1 1   18    8   20 o   96.941   14.481   24.010   5.6473   23.928   11.427   24.036   6.4959   94.183   25.386   99.699   13.941 -5.515640 28.96238 
1 1 1   18    8   21 o  268.110   26.870  223.357   28.667  176.327   49.397  247.241   35.201  228.135   47.857  308.084   24.448 -79.94939 53.74044 
1 1 1   18    8   22 o  166.937   13.191   69.757   10.276   73.514   14.485   65.949   14.582  171.824   18.038  162.050   19.254 9.773895 26.38290 
1 1 1   18    8   23 o  140.838   11.287   48.654   7.1708   49.418   11.798   48.207   9.0303  140.782   17.931  140.895   13.714 -0.1129303 22.57426 
1 1 1   18    8   24 o  102.576   13.415   28.170   5.9054   22.621   9.7886   31.345   7.4047   91.685   22.909  113.466   13.964 -21.78032 26.82951 
1 1 1   18    8   25 o  226.874   12.855  126.693   13.395  141.854   21.409  116.942   17.170  236.802   19.345  216.947   16.935 19.85440 25.71056 
1 1 1   18    8   26 o  108.173   13.899   31.809   6.3849   24.952   10.674   35.629   7.9676   95.570   23.947  120.776   14.116 -25.20602 27.79736 
1 1 1   18    8   27 o  147.617   12.568   54.730   8.5933   54.570   13.008   54.853   11.447  146.713   18.971  148.521   16.491 -1.808060 25.13685 
1 1 1   18    8   28 o  107.393   17.914   30.390   7.7389   34.334   16.690   29.309   8.7347  106.695   31.380  108.090   17.291 -1.394745 35.82828 
1 1 1   18    8   29 o   95.122   17.539   24.942   6.6392   23.525   16.380   25.220   7.2625   89.364   31.515  100.881   15.404 -11.51680 35.07839 
1 1 1   18    8   30 o   86.481   14.862   20.553   5.6690   18.534   10.215   21.452   6.8149   81.523   24.687   91.439   16.557 -9.915779 29.72493 
1 1 1   18    8   31 o   69.313   14.652   9.5209   5.1913   22.802   9.5118   3.8863   6.1954   91.129   22.475   47.498   18.803 43.63113 29.30304 
1 1 1   18    8   32 o   54.331   14.981   5.5902   5.0352   7.6322   9.5425   4.8023   5.9275   59.900   23.453   48.762   18.646 11.13847 29.96178 
1 1 1   18    8   33 o   57.563   22.148   7.4269   8.3964   0.0000   0.0000   7.4269   8.3964  ?   ?    57.563   22.148      ?      ? 
1 1 1   18    8   34 o   52.195   15.209  -1.0174   6.2061   13.110   10.770  -8.0404   7.5935   69.315   25.410   35.075   16.720 34.23969 30.41791 
1 1 1   18    8   35 o   73.271   19.102   14.168   8.9160   7.7802   12.227   21.421   13.030   62.580   25.816   83.962   28.163 -21.38159 38.20498 
1 1 1   18    8   36 o   68.022   14.730   12.903   5.7512   4.2902   8.9995   18.848   7.4772   52.936   22.018   83.109   19.574 -30.17290 29.46095 
1 1 1   18    8   37 f   68.291   15.510   12.173   5.2238   16.376   9.6993   10.456   6.1997   74.624   24.270   61.957   19.320 12.66763 31.02090 
1 1 1   18    8   38 o   40.017   12.691  -0.7776   4.3621   0.9912   8.4385  -1.4226   5.0958   46.103   20.270   33.931   15.278 12.17172 25.38254 
1 1 1   18    8   39 o   55.517   14.576   6.5764   4.7237   12.867   8.7357   3.9771   5.6154   66.069   23.034   44.965   17.870 21.10415 29.15297 
1 1 1   18    8   40 o   40.863   10.859   2.1904   2.3909   0.9649   2.6733   7.0896   5.3450   29.508   12.110   52.218   18.028 -22.71043 21.71805 
1 1 1   18    8   41 o   59.564   11.760   9.6188   3.3099   9.1565   4.1484   10.429   5.4907   58.222   15.114   60.905   18.023 -2.683105 23.52093 
1 1 1   18    8   42 o   64.110   14.492   9.7956   3.5524   8.8422   3.7727   17.254   10.552   57.123   14.194   71.097   25.270 -13.97426 28.98376 
1 1 1   18    8   43 o   59.266   15.389   9.7398   5.2894   7.3622   6.3993   14.867   9.3975   51.796   19.474   66.736   23.835 -14.94022 30.77845 
1 1 1   18    8   44 o   59.516   17.064   11.298   7.9322   2.5175   13.822   15.610   9.6858   52.119   24.101   66.913   24.163 -14.79409 34.12738 
1 1 1   18    8   45 o   55.117   16.781   3.9361   8.1123   19.209   13.011  -5.7764   10.376   69.373   27.317   40.861   19.497 28.51259 33.56112 
1 1 1   18    8   46 o   40.015   12.247   1.4809   4.1605  -0.4691   5.3732   4.4003   6.5745   34.862   15.694   45.167   18.806 -10.30418 24.49394 
1 1 1   18    8   47 o   49.973   12.376   6.1187   4.1848  -0.5608   5.8147   13.296   6.0276   35.352   16.078   64.594   18.818 -29.24281 24.75112 
1 1 1   18    9    0 o  202.632   10.122   98.778   13.401   98.778   13.401   98.778   13.401  202.632   14.315  202.632   14.315 -0.000000 0.000000 
1 1 1   18    9    1 o  334.347   17.755  283.448   27.217  275.950   35.107  294.743   43.088  331.450   22.664  337.244   27.338 -5.794006 35.51064 
1 1 1   18    9    2 o  117.350   9.0704   31.854   4.8906   26.077   6.2986   40.625   7.7610  104.379   12.912  130.322   12.743 -25.94260 18.14085 
1 1 1   18    9    3 f   74.385   10.591   13.649   3.4700   13.212   4.4010   14.366   5.6414   73.189   13.359   75.581   16.439 -2.391884 21.18242 
1 1 1   18    9    4 o  194.829   11.462   90.943   10.254   86.261   13.183   98.116   16.316  189.107   14.916  200.552   17.407 -11.44585 22.92401 
1 1 1   18    9    5 o  328.640   13.874  266.716   21.263  286.312   30.108  247.216   30.034  341.345   18.873  315.935   20.341 25.40994 27.74799 
1 1 1   18    9    6 o  216.592   9.3875  112.491   9.4917  118.666   13.436  106.341   13.410  222.675   12.911  210.509   13.631 12.16541 18.77493 
1 1 1   18    9    7 o  126.853   7.9606   38.340   4.7103   35.591   6.6543   41.100   6.6684  122.209   11.651  131.496   10.851 -9.287140 15.92112 
1 1 1   18    9    8 o   94.121   8.7186   21.137   3.7800   21.346   5.8716   20.989   4.9399   94.345   13.317   93.896   11.257 0.4496384 17.43716 
1 1 1   18    9    9 o  192.050   12.109   89.946   10.783   75.955   14.931  105.196   15.589  175.942   18.159  208.158   16.024 -32.21671 24.21821 
1 1 1   18    9   10 o  168.790   10.793   70.187   8.3137   62.284   12.750   76.033   10.965  159.623   17.091  177.958   13.185 -18.33473 21.58555 
1 1 1   18    9   11 o  132.510   14.738   45.199   8.1323   46.421   9.8479   42.579   14.420  138.291   15.237  126.730   25.233 11.56097 29.47694 
1 1 1   18    9   12 o  110.799   14.882   33.077   7.0040   36.515   8.6350   26.465   11.975  122.581   15.073   99.016   25.666 23.56586 29.76449 
1 1 1   18    9   13 f   69.220   16.575   11.759   6.3362   13.424   9.6673   10.506   8.3895   72.716   24.259   65.724   22.592 6.991615 33.14948 
1 1 1   18    9   14 o  185.378   17.973   92.405   13.889   83.348   24.054   96.934   17.012  173.074   30.870  197.682   18.414 -24.60805 35.94508 
1 1 1   18    9   15 o  137.114   15.881   49.497   9.1728   44.931   15.790   51.823   11.269  128.789   27.092  145.440   16.580 -16.65025 31.76277 
1 1 1   18    9   16 o  134.714   15.125   48.625   7.6953   41.572   15.362   50.987   8.8914  123.827   27.281  145.600   13.067 -21.77249 30.24906 
1 1 1   18    9   17 o   74.818   15.046   13.768   5.0720   16.168   9.7562   12.879   5.9374   78.659   24.188   70.977   17.902 7.681931 30.09184 
1 1 1   18    9   18 o  199.642   18.114  111.075   13.279   90.661   26.611  117.844   15.324  178.991   33.028  220.292   14.884 -41.30092 36.22712 
1 1 1   18    9   19 o  120.032   14.598   36.247   6.6745   38.004   13.971   35.728   7.5976  118.443   25.956  121.621   13.367 -3.178024 29.19523 
1 1 1   18    9   20 o  197.570   11.401   94.777   10.342  101.916   16.446   90.107   13.301  202.892   17.344  192.247   14.804 10.64532 22.80256 
1 1 1   18    9   21 o   68.059   13.527   12.136   4.3558   10.760   7.6341   12.801   5.3039   65.329   21.546   70.790   16.360 -5.460526 27.05315 
1 1 1   18    9   22 o   90.812   13.499   23.382   5.3006   14.896   9.2863   27.484   6.4556   75.050   23.682  106.575   12.961 -31.52489 26.99711 
1 1 1   18    9   23 f   96.350   11.861   21.585   4.9927   29.057   8.9355   18.193   6.0201  107.892   17.721   84.807   15.769 23.08490 23.72142 
1 1 1   18    9   24 o  183.191   11.863   82.888   9.9095   85.423   15.918   81.284   12.662  184.312   18.480  182.069   14.881 2.243896 23.72667 
1 1 1   18    9   25 o  161.945   13.468   60.353   8.8446   79.512   18.551   54.717   10.062  174.384   22.762  149.505   14.400 24.87978 26.93513 
1 1 1   18    9   26 o  265.064   13.159  171.370   16.007  219.056   25.589  140.710   20.518  294.281   18.606  235.847   18.615 58.43423 26.31882 
1 1 1   18    9   27 o  144.588   16.175   55.124   9.5990   56.692   17.720   54.473   11.419  141.417   27.803  147.758   16.537 -6.341110 32.34934 
1 1 1   18    9   28 o  152.122   18.513   66.942   11.255   56.305   20.608   71.463   13.435  135.535   32.872  168.710   17.040 -33.17502 37.02633 
1 1 1   18    9   29 o  144.434   16.540   53.667   8.7830   60.772   19.322   51.817   9.8607  143.957   29.704  144.910   14.560 -0.9528961 33.08097 
1 1 1   18    9   30 o  152.217   12.746   58.353   9.0149   64.367   13.680   53.738   11.985  158.799   18.434  145.635   17.609 13.16432 25.49256 
1 1 1   18    9   31 o   98.098   14.996   25.799   6.4764   27.178   10.747   25.013   8.1156   98.606   23.630   97.589   18.470 1.017166 29.99208 
1 1 1   18    9   32 o   74.911   16.809   15.865   6.1936   13.639   12.831   16.541   7.0721   71.673   27.426   78.149   19.443 -6.475410 33.61877 
1 1 1   18    9   33 o  119.282   17.746   51.200   9.8977   17.282   18.318   65.185   11.763   78.116   31.838  160.448   15.687 -82.33207 35.49286 
1 1 1   18    9   34 o   97.832   19.191   28.201   8.8764   32.303   14.483   25.733   11.234  101.903   29.015   93.762   25.127 8.141304 38.38245 
1 1 1   18    9   35 o   42.233   18.455   0.1365   6.9015   0.1365   6.9015   0.0000   0.0000   42.233   18.455  ?   ?       ?      ? 
1 1 1   18    9   36 o   69.263   16.734   13.802   6.6237   16.030   8.5899   10.532   10.403   74.588   22.650   63.938   24.638 10.65010 33.46760 
1 1 1   18    9   37 o   76.293   17.637   17.775   7.0737   17.438   8.7864   18.395   11.925   76.492   22.836   76.095   26.884 0.3969421 35.27379 
1 1 1   18    9   38 o   66.194   14.485   5.2845   6.7130 -10.8807   8.7503   28.409   10.466   35.367   17.134   97.021   23.361 -61.65424 28.97085 
1 1 1   18    9   39 o   68.346   16.670   13.910   7.0266   19.027   9.0043   5.9396   11.237   79.744   22.934   56.948   24.198 22.79543 33.33939 
1 1 1   18    9   40 o   83.704   18.283   22.058   7.8400   17.579   10.199   28.526   12.257   74.421   24.917   92.986   26.762 -18.56438 36.56560 
1 1 1   18    9   41 o   64.913   16.118   13.088   6.9135   19.843   8.9398   3.0369   10.905   78.877   22.900   50.950   22.688 27.92676 32.23600 
1 1 1   18    9   42 o   56.330   16.363   7.8605   6.9316   3.8703   9.1234   13.309   10.661   49.018   21.323   63.642   24.825 -14.62428 32.72559 
1 1 1   18    9   43 o   63.339   12.855   11.481   3.8634   10.288   4.7785   13.733   6.5647   59.852   16.535   66.826   19.687 -6.974648 25.71010 
1 1 1   18    9   44 o   47.167   11.361   3.6213   2.5678   1.7291   2.8441   11.964   5.9721   31.694   12.677   62.640   18.856 -30.94674 22.72127 
1 1 1   18    9   45 o   38.266   12.422  -3.0214   4.5723   4.6651   8.4442  -6.2098   5.4385   48.085   20.715   28.447   13.714 19.63807 24.84333 
1 1 1   18    9   46 o   44.682   14.337   1.6402   6.3986  -0.6422   8.3865   4.8198   9.8983   40.742   18.816   48.621   21.636 -7.879311 28.67349 
1 1 1   18   10    0 o   27.473   11.864   1.6171   4.0856   1.6171   4.0856   1.6171   4.0856   27.473   16.779   27.473   16.779 -0.000000 0.000000 
1 1 1   18   10    1 o   92.266   10.451   20.855   4.3967   22.153   6.1483   19.497   6.2899   96.021   13.701   88.511   15.785 7.510002 20.90136 
1 1 1   18   10    2 o  128.310   10.355   39.626   6.1956   36.139   8.5625   43.458   8.9758  122.305   14.980  134.314   14.299 -12.00927 20.70917 
1 1 1   18   10    3 o  118.690   7.9438   33.524   4.4019   31.465   6.1379   35.705   6.3163  114.901   11.430  122.479   11.035 -7.578766 15.88751 
1 1 1   18   10    4 o  171.725   9.9488   71.216   7.8251   69.971   12.282   72.066   10.152  169.927   15.466  173.523   12.519 -3.596283 19.89753 
1 1 1   18   10    5 o   86.253   10.816   17.857   4.2238   14.782   5.5292   22.165   6.5451   76.713   15.943   95.793   14.620 -19.08018 21.63124 
1 1 1   18   10    6 o  151.682   10.649   55.608   7.5394   52.163   10.400   59.424   10.945  146.703   15.169  156.661   14.950 -9.957535 21.29763 
1 1 1   18   10    7 o  177.711   11.624   77.203   9.6368   82.650   13.665   71.813   13.593  184.214   15.872  171.209   16.988 13.00497 23.24869 
1 1 1   18   10    8 o  174.685   12.780   68.190   9.9008   52.888   11.938  101.913   17.722  146.618   17.421  202.753   18.702 -56.13432 25.55936 
1 1 1   18   10    9 o  149.593   11.003   47.841   6.9220   40.272   7.9650   71.198   13.992  129.286   13.182  169.900   17.621 -40.61366 22.00637 
1 1 1   18   10   10 o  130.762   14.768   46.536   7.1402   49.213   8.1994   38.138   14.524  143.183   12.253  118.341   26.874 24.84191 29.53525 
1 1 1   18   10   11 o  193.975   14.610   92.472   11.487   90.185   13.252   99.383   23.036  192.704   14.715  195.245   25.245 -2.541809 29.22037 
1 1 1   18   10   12 o  121.394   13.772   40.072   7.0008   16.413   9.8178   64.546   9.9855   79.048   24.257  163.739   13.049 -84.69080 27.54389 
1 1 1   18   10   13 o  166.275   15.196   67.548   11.262   77.368   19.520   62.648   13.789  173.474   24.077  159.076   18.547 14.39815 30.39197 
1 1 1   18   10   14 o   47.574   14.509  -1.9332   6.1905  -8.1204   8.5272   4.9610   9.0013   38.814   18.268   56.335   22.547 -17.52031 29.01841 
1 1 1   18   10   15 o  172.676   12.460   73.527   10.007   82.087   14.238   65.170   14.067  183.102   16.638  162.250   18.551 20.85204 24.91956 
1 1 1   18   10   16 o  178.837   16.107   79.032   12.830   90.667   22.263   73.246   15.698  186.412   25.554  171.263   19.613 15.14902 32.21325 
1 1 1   18   10   17 f  143.072   16.391   50.261   10.959   0.0000   0.0000   50.261   10.959  ?   ?   143.072   16.391      ?      ? 
1 1 1   18   10   18 f   72.503   12.071   11.780   4.6482   24.004   7.1749   2.9389   6.1019   99.030   15.503   45.976   18.506 53.05389 24.14124 
1 1 1   18   10   19 o   45.156   12.480   2.0214   4.3633  -5.7962   6.9873   7.0187   5.5865   36.028   16.821   54.285   18.440 -18.25708 24.95903 
1 1 1   18   10   20 o   89.274   14.828   18.180   5.5302   28.785   10.981   14.577   6.4011  103.588   23.253   74.961   18.407 28.62720 29.65646 
1 1 1   18   10   21 o   64.814   14.071   10.216   4.5082   13.308   7.6672   8.5830   5.5735   71.217   21.348   58.411   18.335 12.80638 28.14114 
1 1 1   18   10   22 o  143.772   12.135   51.367   8.1156   52.208   12.102   50.679   10.940  144.439   17.928  143.105   16.358 1.334595 24.26912 
1 1 1   18   10   23 o  123.671   12.911   39.360   7.1342   34.584   10.694   43.191   9.5767  114.929   20.670  132.412   15.475 -17.48270 25.82128 
1 1 1   18   10   24 o   90.224   14.359   21.698   5.8291   20.434   9.1831   22.551   7.5437   86.929   22.448   93.518   17.913 -6.588440 28.71863 
1 1 1   18   10   25 o  183.490   14.759   88.445   12.319   69.240   17.787  106.153   17.079  161.594   23.552  205.386   17.793 -43.79178 29.51775 
1 1 1   18   10   26 o  185.335   13.537   87.943   11.674   82.168   16.864   93.257   16.177  178.582   20.206  192.089   18.020 -13.50734 27.07442 
1 1 1   18   10   27 o  166.092   13.854   70.899   10.739   70.258   15.540   71.484   14.858  164.932   20.160  167.252   19.008 -2.319565 27.70838 
1 1 1   18   10   28 o   78.850   16.691   17.729   6.2385   12.965   13.404   19.047   7.0484   72.464   27.955   85.235   18.245 -12.77142 33.38208 
1 1 1   18   10   29 o  104.118   17.543   28.526   7.5440   35.034   15.185   26.393   8.6927  108.215   29.303  100.021   19.295 8.194786 35.08525 
1 1 1   18   10   30 o  105.493   16.917   29.572   7.5160   35.450   14.210   27.288   8.8564  109.576   27.725  101.410   19.394 8.166420 33.83495 
1 1 1   18   10   31 o  101.447   17.145   30.631   7.6751   25.125   14.524   32.764   9.0404   89.725   29.725  113.169   17.093 -23.44337 34.28935 
1 1 1   18   10   32 o   52.204   15.805   2.7473   6.4388   4.6544   11.490   1.8741   7.7743   57.468   24.445   46.940   20.041 10.52800 31.61056 
1 1 1   18   10   33 o   72.603   14.541   12.709   5.8661   3.4280   7.7522   25.143   8.9728   49.392   20.481   95.813   20.647 -46.42090 29.08215 
1 1 1   18   10   34 o   98.044   21.377   26.675   9.5190   26.675   9.5190   0.0000   0.0000   98.044   21.377  ?   ?       ?      ? 
1 1 1   18   10   35 o   62.459   15.255   7.0315   6.1710  -1.8501   7.9864   20.191   9.7213   42.160   19.042   82.758   23.838 -40.59767 30.50921 
1 1 1   18   10   36 o   58.099   17.485   6.2788   8.3062   7.3450   12.151   5.3435   11.380   59.759   25.266   56.439   24.176 3.319210 34.96916 
1 1 1   18   10   37 o   94.018   17.381   25.375   7.6402   18.174   9.5198   38.407   12.807   76.693   23.944  111.343   25.200 -34.65019 34.76125 
1 1 1   18   10   38 o   96.947   18.105   28.442   8.1204   25.319   10.240   33.735   13.330   91.597   23.729  102.297   27.352 -10.69932 36.21091 
1 1 1   18   10   39 o   68.377   15.270   13.907   5.4627   12.809   8.4667   14.690   7.1500   65.737   22.690   71.018   20.440 -5.280693 30.53905 
1 1 1   18   10   40 o   58.982   14.682   10.401   5.1513   7.0767   8.6478   12.229   6.4133   53.700   21.880   64.265   19.584 -10.56527 29.36419 
1 1 1   18   10   41 o   41.685   13.011   1.1245   4.9136  -1.9342   8.4187   2.7048   6.0513   41.103   18.936   42.268   17.848 -1.165092 26.02209 
1 1 1   18   10   42 o   71.272   14.732   17.183   5.8360   8.4993   9.5134   22.422   7.3898   55.276   22.784   87.269   18.683 -31.99263 29.46441 
1 1 1   18   10   43 o   50.878   15.760   4.0648   5.5717   12.121   13.396   2.3797   6.1268   60.471   26.071   41.285   17.713 19.18572 31.51912 
1 1 1   18   10   44 o   64.260   17.437   10.587   5.9684   26.021   13.937   7.1212   6.6046   77.933   28.849   50.586   19.593 27.34699 34.87318 
1 1 1   18   10   45 o   38.781   10.596   0.5288   2.1271  -0.9191   2.2935   9.4315   5.6871   22.372   10.145   55.189   18.605 -32.81718 21.19166 
1 1 1   18   10   46 o   64.664   12.066   11.178   3.7089   6.8287   4.5320   20.000   6.4541   48.096   16.601   81.232   17.516 -33.13585 24.13292 
1 1 1   18   11    0 o   78.665   11.569   16.471   5.3044   16.471   5.3044   16.471   5.3044   78.665   16.361   78.665   16.361 -0.000000 0.000000 
1 1 1   18   11    1 o  131.963   11.779   40.722   6.9049   36.678   8.3783   49.285   12.191  122.962   14.580  140.965   18.505 -18.00295 23.55865 
1 1 1   18   11    2 o  256.952   19.342  177.738   19.553  167.279   38.980  181.255   22.603  243.054   34.316  270.851   17.856 -27.79742 38.68390 
1 1 1   18   11    3 o  235.056   18.291  145.471   18.758  141.469   32.380  147.493   23.013  227.751   30.421  242.361   20.318 -14.61084 36.58223 
1 1 1   18   11    4 o  227.135   15.564  128.477   15.673  139.913   27.155  122.764   19.192  231.837   25.062  222.432   18.462 9.405548 31.12841 
1 1 1   18   11    5 o  120.523   11.052   34.482   5.9314   38.687   10.281   32.384   7.2617  125.203   17.570  115.843   13.413 9.359833 22.10490 
1 1 1   18   11    6 o   89.177   8.8879   19.063   3.6972   18.277   5.0427   19.976   5.4368   87.235   12.369   91.120   12.767 -3.884529 17.77585 
1 1 1   18   11    7 o  243.964   18.079  152.383   17.718  149.480   20.427  161.206   35.604  246.016   17.766  241.912   31.492 4.104080 36.15759 
1 1 1   18   11    8 o  136.551   14.524   48.930   7.4125   50.414   8.4959   44.198   15.170  144.875   12.548  128.227   26.198 16.64764 29.04836 
1 1 1   18   11    9 o  123.230   11.403   37.107   6.4472   28.598   8.8802   46.591   9.3755  107.755   17.634  138.706   14.463 -30.95074 22.80619 
1 1 1   18   11   10 o  101.281   14.169   27.963   5.4112   29.529   6.1358   22.482   11.479  111.092   11.818   91.470   25.757 19.62135 28.33848 
1 1 1   18   11   11 o  166.886   12.739   69.500   9.6847   52.248   13.629   87.098   13.765  144.588   20.169  189.184   15.568 -44.59538 25.47838 
1 1 1   18   11   12 o  118.898   13.535   36.841   6.9934   24.188   10.021   48.854   9.7641   95.837   22.720  141.959   14.717 -46.12199 27.07003 
1 1 1   18   11   13 o  210.072   19.530  110.096   19.174   0.0000   0.0000  110.096   19.174  ?   ?   210.072   19.530      ?      ? 
1 1 1   18   11   14 o   99.693   18.144   25.270   8.1424   0.0000   0.0000   25.270   8.1424  ?   ?    99.693   18.144      ?      ? 
1 1 1   18   11   15 o   46.572   13.169   2.8652   4.4651  -0.0438   6.6151   5.2997   6.0516   42.237   18.265   50.907   18.977 -8.670624 26.33879 
1 1 1   18   11   16 o   57.772   13.866   7.6899   4.7515   3.1511   6.9959   11.577   6.4739   48.554   19.720   66.989   19.498 -18.43505 27.73178 
1 1 1   18   11   17 o   88.717   14.869   19.898   6.1275   13.848   7.9901   28.535   9.5476   72.669   21.795  104.766   20.232 -32.09643 29.73873 
1 1 1   18   11   18 o   85.420   13.748   19.728   5.5211   12.969   8.5129   24.635   7.2535   70.668   22.715  100.171   15.494 -29.50333 27.49583 
1 1 1   18   11   19 o   90.740   12.789   20.217   5.2856   27.399   8.2668   15.250   6.8742  105.118   16.827   76.363   19.264 28.75535 25.57818 
1 1 1   18   11   20 o  132.674   11.334   43.256   6.8726   56.070   10.133   32.339   9.3527  151.521   14.309  113.826   17.581 37.69452 22.66820 
1 1 1   18   11   21 o   63.190   14.035   9.6802   5.0626   3.4754   7.2638   15.542   7.0598   49.513   20.099   76.868   19.594 -27.35498 28.06923 
1 1 1   18   11   22 o  150.508   12.485   56.800   8.7676   55.919   12.690   57.604   12.128  149.064   18.215  151.951   17.078 -2.887665 24.96922 
1 1 1   18   11   23 o  130.114   12.167   42.482   7.3740   40.431   10.681   44.350   10.193  126.676   18.042  133.552   16.331 -6.875626 24.33495 
1 1 1   18   11   24 o  169.408   13.081   72.916   10.328   68.843   14.827   76.754   14.394  164.199   19.322  174.616   17.638 -10.41641 26.16175 
1 1 1   18   11   25 o  121.301   12.981   38.182   7.0431   33.988   10.571   41.531   9.4447  113.267   20.733  129.334   15.626 -16.06680 25.96216 
1 1 1   18   11   26 o  181.575   13.820   85.201   11.648   77.823   16.876   91.913   16.096  172.847   20.891  190.303   18.098 -17.45618 27.64009 
1 1 1   18   11   27 o  101.296   14.452   28.448   6.5655   20.320   10.119   34.357   8.6281   85.189   24.252  117.402   15.725 -32.21341 28.90391 
1 1 1   18   11   28 o  100.539   19.820   29.294   9.7569   37.528   14.680   22.779   13.059  113.060   27.943   88.019   28.117 25.04118 39.64009 
1 1 1   18   11   29 o  100.739   26.980   29.971   12.957   0.0000   0.0000   29.971   12.957  ?   ?   100.739   26.980      ?      ? 
1 1 1   18   11   30 o  167.956   21.834   87.140   16.668   99.700   23.835   75.117   23.319  184.421   27.654  151.490   33.795 32.93086 43.66776 
1 1 1   18   11   31 o  109.210   30.035   37.787   15.808   37.787   15.808   0.0000   0.0000  109.210   30.035  ?   ?       ?      ? 
1 1 1   18   11   32 o  111.583   18.219   32.303   9.5007   32.303   9.5007   0.0000   0.0000  111.583   18.219  ?   ?       ?      ? 
1 1 1   18   11   33 o   84.022   21.877   19.923   8.6750   19.923   8.6750   0.0000   0.0000   84.022   21.877  ?   ?       ?      ? 
1 1 1   18   11   34 o  154.259   12.984   62.398   9.2489   76.014   13.656   50.861   12.571  170.881   17.100  137.638   19.543 33.24292 25.96778 
1 1 1   18   11   35 o   64.471   15.120   10.840   5.5529   17.935   8.5498   5.6640   7.3027   77.702   22.348   51.240   20.373 26.46207 30.24059 
1 1 1   18   11   36 o   71.453   16.604   15.499   6.3986   15.461   8.6206   15.546   9.5482   71.664   22.840   71.241   24.107 0.4234009 33.20857 
1 1 1   18   11   37 o   56.387   15.107   7.6012   5.4381   10.889   8.4817   5.3061   7.0862   62.447   22.602   50.326   20.051 12.12113 30.21364 
1 1 1   18   11   38 o  116.327   18.392   40.315   9.1798   35.457   11.021   51.325   16.591  109.548   22.284  123.106   29.266 -13.55778 36.78424 
1 1 1   18   11   39 o   74.947   17.680   19.367   7.3397   20.842   8.9218   16.279   12.910   81.238   22.649   68.656   27.155 12.58215 35.36047 
1 1 1   18   11   40 o   73.894   17.093   19.084   7.2247   23.187   9.3029   12.849   11.468   84.816   22.923   62.972   25.362 21.84380 34.18645 
1 1 1   18   11   41 o   57.445   14.932   9.3195   5.2684   14.189   8.3244   6.0658   6.8046   65.728   22.508   49.162   19.629 16.56620 29.86490 
1 1 1   18   11   42 o   46.604   14.187   4.0095   5.5433  -4.8108   11.940   6.4330   6.2586   44.151   21.024   49.057   19.053 -4.906261 28.37312 
1 1 1   18   11   43 o   49.454   15.106   2.3465   5.3503   14.018   11.503  -0.8751   6.0438   62.691   25.347   36.218   16.441 26.47315 30.21247 
1 1 1   18   11   44 o   49.358   14.346   6.5132   5.1453   6.0941   9.0851   6.7111   6.2430   49.886   21.489   48.831   19.011 1.054188 28.69149 
1 1 1   18   11   45 o   50.127   14.548   6.0970   5.1279   12.805   9.2074   3.0807   6.1740   58.912   23.046   41.341   17.760 17.57072 29.09530 
1 1 1   18   12    1 o  179.680   16.546   79.001   13.894   79.001   13.894   0.0000   0.0000  179.680   16.546  ?   ?       ?      ? 
1 1 1   18   12    2 o  113.378   12.928   34.020   6.1349   38.154   7.6582   26.614   10.250  125.961   13.009  100.795   22.345 25.16604 25.85589 
1 1 1   18   12    3 o  121.707   12.752   38.321   6.5937   41.718   8.2742   32.411   10.915  131.588   13.455  111.826   21.667 19.76201 25.50452 
1 1 1   18   12    4 o  128.869   12.924   45.208   6.3041   49.473   7.4049   33.978   12.016  144.021   11.001  113.716   23.391 30.30570 25.84893 
1 1 1   18   12    5 o  101.837   12.256   23.818   5.4611   19.743   6.6001   32.665   9.7248   88.613   16.546  115.061   18.085 -26.44700 24.51146 
1 1 1   18   12    6 o  239.811   19.321  150.159   20.360  147.532   24.924  155.430   35.297  241.389   22.093  238.232   31.702 3.156174 38.64155 
1 1 1   18   12    7 o  306.619   21.081  237.653   29.030  198.921   35.541  315.288   50.318  274.170   27.737  339.067   31.754 -64.89664 42.16230 
1 1 1   18   12    8 o  235.459   20.696  152.866   20.833  161.977   25.571  134.883   35.926  253.170   21.612  217.749   35.303 35.42064 41.39278 
1 1 1   18   12    9 o  181.634   12.240   70.929   9.1750   60.779   10.454  104.957   19.142  158.494   14.113  204.774   20.001 -46.28000 24.47952 
1 1 1   18   12   10 f  117.035   13.144   31.788   5.8160   29.732   6.5328   39.646   12.771  111.196   12.571  122.873   23.088 -11.67677 26.28832 
1 1 1   18   12   11 o   92.334   25.821   23.202   11.577   0.0000   0.0000   23.202   11.577  ?   ?    92.334   25.821      ?      ? 
1 1 1   18   12   12 f  215.331   16.200  110.812   15.620   90.259   19.041  153.109   27.315  188.092   21.661  242.569   24.095 -54.47717 32.40023 
1 1 1   18   12   13 o  172.886   19.887   81.697   15.608   90.502   22.061   72.874   22.084  185.056   25.508  160.717   30.518 24.33920 39.77422 
1 1 1   18   12   14 o   98.418   18.565   26.744   8.7011   25.704   12.248   27.803   12.363   96.416   26.405  100.420   26.102 -4.003120 37.12910 
1 1 1   18   12   15 o  156.676   14.831   59.215   10.341   52.006   12.549   74.474   18.256  144.027   18.643  169.325   23.070 -25.29735 29.66104 
1 1 1   18   12   16 o   76.504   16.793   15.004   6.2928   13.924   7.5941   17.369   11.241   72.748   21.102   80.260   26.130 -7.512352 33.58661 
1 1 1   18   12   17 o  111.444   16.398   33.236   7.8328   33.814   9.4535   31.970   13.990  116.527   17.359  106.361   27.824 10.16595 32.79528 
1 1 1   18   12   18 o  103.105   16.160   33.819   8.0287   44.725   9.7470   10.803   14.160  134.808   15.471   71.401   28.376 63.40717 32.31918 
1 1 1   18   12   19 o  160.913   14.483   59.854   10.335   45.893   12.469   90.498   18.474  134.255   19.873  187.571   21.074 -53.31606 28.96638 
1 1 1   18   12   20 o  133.749   17.149   49.881   9.5445   53.271   11.608   42.805   16.771  146.146   16.995  121.352   29.791 24.79436 34.29753 
1 1 1   18   12   21 o  108.954   16.385   29.837   7.7871   23.989   9.5252   41.622   13.522   94.371   22.002  123.538   24.286 -29.16730 32.77079 
1 1 1   18   12   22 o  160.796   16.912   69.459   11.564   69.765   14.203   68.858   19.917  166.028   18.304  155.563   28.444 10.46492 33.82465 
1 1 1   18   12   23 o  134.411   15.726   46.227   9.2193   42.182   11.316   54.212   15.900  128.670   18.818  140.152   25.201 -11.48286 31.45155 
1 1 1   18   12   24 o   74.734   17.082   15.250   6.6866   15.920   8.2915   14.006   11.308   76.564   22.004   72.905   26.134 3.658951 34.16360 
1 1 1   18   12   25 f  145.105   15.539   53.267   10.183   47.001   12.609   65.019   17.268  134.766   20.020  155.445   23.770 -20.67914 31.07751 
1 1 1   18   12   26 o   77.565   16.983   16.740   6.6604   17.340   8.2348   15.605   11.326   79.714   21.577   75.416   26.231 4.298294 33.96544 
1 1 1   18   12   27 o   72.822   18.533   14.342   8.0288   14.431   11.962   14.269   10.831   73.182   26.787   72.462   25.619 0.7205887 37.06568 
1 1 1   18   12   28 o   84.343   26.780   21.127   11.860   0.0000   0.0000   21.127   11.860  ?   ?    84.343   26.780      ?      ? 
1 1 1   18   12   29 o   98.128   25.808   28.542   11.994   0.0000   0.0000   28.542   11.994  ?   ?    98.128   25.808      ?      ? 
1 1 1   18   12   30 o   44.644   13.420   0.4688   5.2936   5.2816   6.7131  -7.4438   8.6077   50.769   19.728   38.519   18.197 12.25039 26.83941 
1 1 1   18   12   31 f  111.866   16.432   37.018   8.2499   43.916   10.637   26.604   13.070  130.585   17.429   93.147   27.861 37.43777 32.86384 
1 1 1   18   12   32 o  105.822   12.983   29.136   6.2206   35.941   9.4718   23.974   8.2489  117.845   17.198   93.799   19.455 24.04582 25.96681 
1 1 1   18   12   33 o   80.313   15.712   18.585   6.0837   21.134   9.1089   16.533   8.1742   85.052   22.550   75.575   21.885 9.477135 31.42348 
1 1 1   18   12   34 o  129.296   13.272   45.457   8.0040   45.071   11.628   45.805   11.034  128.137   19.417  130.455   18.098 -2.318085 26.54367 
1 1 1   18   12   35 o   63.031   14.812   11.138   5.6858   3.6317   8.6868   16.764   7.5205   49.987   21.259   76.075   20.632 -26.08845 29.62453 
1 1 1   18   12   36 o   74.046   14.414   14.789   5.7017   25.498   8.5559   6.2343   7.6473   95.278   19.858   52.814   20.896 42.46366 28.82717 
1 1 1   18   12   37 o   53.454   14.545   7.1972   5.2222   4.0851   8.4682   9.1071   6.6338   49.726   21.062   57.181   20.065 -7.455429 29.08964 
1 1 1   18   12   38 o   86.614   15.747   23.535   6.4109   22.420   9.5269   24.458   8.6668   83.285   23.470   89.942   21.000 -6.657234 31.49306 
1 1 1   18   12   39 o   69.154   17.621   16.953   7.5002   19.023   8.9043   11.897   13.915   76.228   23.042   62.081   26.667 14.14703 35.24228 
1 1 1   18   12   40 o   73.905   17.691   20.135   7.6006   23.154   9.6301   15.147   12.377   82.839   23.685   64.970   26.284 17.86957 35.38152 
1 1 1   18   12   41 o   77.913   18.328   19.697   7.7883   11.601   9.5295   35.984   13.516   59.545   23.400   96.282   28.216 -36.73746 36.65668 
1 1 1   18   12   42 o   65.153   16.842   12.359   6.0128   22.774   11.897   8.7863   6.9683   76.146   26.857   54.160   20.329 21.98585 33.68377 
1 1 1   18   12   43 o   65.105   16.014   14.617   5.7052   15.903   10.764   14.115   6.7278   64.250   24.978   65.960   20.049 -1.709541 32.02875 
1 1 1   18   12   44 o   38.316   12.433  -0.7016   4.7637   2.5417   8.1687  -2.3730   5.8640   43.501   19.484   33.131   15.448 10.37001 24.86535 
1 1 1   18   13    0 o  234.075   23.954  147.677   34.801  147.677   34.801  147.677   34.801  234.075   33.876  234.075   33.876 -0.000000 0.000000 
1 1 1   18   13    1 o  176.634   10.599   75.750   8.5487   75.169   10.974   76.647   13.635  176.516   13.302  176.752   16.506 -0.2362976 21.19870 
1 1 1   18   13    2 o  150.656   10.411   56.925   7.0388   46.885   10.961   63.970   9.1821  138.021   16.993  163.290   12.032 -25.26895 20.82140 
1 1 1   18   13    3 o  345.011   17.460  312.113   27.360  296.333   43.202  322.681   35.354  333.034   27.757  356.988   21.190 -23.95358 34.92084 
1 1 1   18   13    4 o  151.719   9.3498   56.338   6.4664   51.456   10.057   59.778   8.4431  145.428   14.797  158.011   11.433 -12.58348 18.69968 
1 1 1   18   13    5 o   96.741   8.7757   22.306   3.9241   23.874   6.0912   21.193   5.1306   99.462   13.104   94.020   11.676 5.441734 17.55136 
1 1 1   18   13    6 o  146.250   10.958   52.082   7.4682   46.973   10.232   57.906   10.926  138.474   15.810  154.025   15.178 -15.55080 21.91660 
1 1 1   18   13    7 o  296.574   16.920  231.602   22.582  165.538   31.759  299.160   32.116  248.545   27.341  344.604   19.942 -96.05934 33.84079 
1 1 1   18   13    8 o   66.889   15.481   10.739   5.2182   13.139   9.6008   9.7325   6.2166   71.735   24.174   62.043   19.346 9.692013 30.96212 
1 1 1   18   13    9 o  101.303   15.161   25.828   6.4550   30.045   11.984   24.105   7.6614  105.241   24.776   97.366   17.479 7.875198 30.32150 
1 1 1   18   13   10 o  119.584   16.068   37.863   8.0338   36.409   14.557   38.500   9.6338  114.265   27.575  124.903   16.504 -10.63840 32.13620 
1 1 1   18   13   11 o  161.021   18.431   69.190   13.868   70.019   19.562   68.352   19.663  162.187   25.808  159.854   26.320 2.332993 36.86177 
1 1 1   18   13   12 o  131.374   17.320   50.768   9.4358   59.781   11.612   33.248   16.189  155.801   15.947  106.946   30.750 48.85485 34.63912 
1 1 1   18   13   13 o  165.546   26.559   73.768   20.548   73.768   20.548   0.0000   0.0000  165.546   26.559  ?   ?       ?      ? 
1 1 1   18   13   14 o  115.594   18.809   37.154   9.9586   39.380   14.016   34.884   14.152  119.712   25.811  111.476   27.367 8.235992 37.61845 
1 1 1   18   13   15 o  192.541   16.912   95.888   14.339   92.405   17.503  102.997   25.007  190.867   19.621  194.216   27.551 -3.349548 33.82374 
1 1 1   18   13   16 o  114.852   16.200   35.146   8.0308   35.523   9.8253   34.385   13.939  119.177   17.640  110.526   27.176 8.650978 32.39949 
1 1 1   18   13   17 o  137.921   11.856   47.144   7.5831   55.482   11.074   39.781   10.406  149.826   15.815  126.016   17.669 23.81023 23.71268 
1 1 1   18   13   18 o  172.483   12.422   75.449   9.8603   63.135   14.229   86.824   13.676  157.546   19.326  187.420   15.614 -29.87318 24.84495 
1 1 1   18   13   19 o  288.709   18.402  227.132   24.776  212.743   35.091  241.434   34.985  278.005   27.008  299.412   25.002 -21.40683 36.80418 
1 1 1   18   13   20 o  271.138   17.903  199.822   22.543  178.244   31.977  221.145   31.787  254.082   26.929  288.195   23.600 -34.11223 35.80666 
1 1 1   18   13   21 o  147.284   12.394   54.557   8.5205   57.392   12.437   52.050   11.697  150.808   17.646  143.760   17.410 7.048553 24.78839 
1 1 1   18   13   22 o  206.041   14.497  110.195   13.950  107.507   19.896  112.794   19.563  203.104   20.961  208.977   20.031 -5.873352 28.99299 
1 1 1   18   13   23 o   70.566   14.329   12.535   5.1326   19.029   7.9013   7.7951   6.7508   84.203   20.313   56.930   20.215 27.27303 28.65768 
1 1 1   18   13   24 o   86.332   20.299   20.032   8.0521   20.032   8.0521   0.0000   0.0000   86.332   20.299  ?   ?       ?      ? 
1 1 1   18   13   25 o   74.603   18.722   14.935   8.1698   18.620   12.373   12.086   10.878   80.514   27.442   68.692   25.475 11.82191 37.44402 
1 1 1   18   13   26 o   42.812   13.411  -0.0467   4.9920 -11.9981   11.457   2.7538   5.5461   42.295   20.264   43.328   17.571 -1.032475 26.82124 
1 1 1   18   13   27 o   54.189   16.091   3.6492   6.1605   7.8556   12.033   2.1550   7.1717   62.351   25.653   46.028   19.433 16.32280 32.18252 
1 1 1   18   13   28 o   53.853   14.643   5.9635   5.4447   1.3573   8.2823   9.4690   7.2253   47.363   20.460   60.343   20.953 -12.98026 29.28553 
1 1 1   18   13   29 o   35.798   12.242 -11.4769   6.0957  -9.5753   9.4160 -12.8488   7.9978   38.934   18.576   32.663   15.949 6.271427 24.48315 
1 1 1   18   13   30 o   43.333   12.873   1.2958   4.6876  -5.1729   7.8643   4.8607   5.8381   38.465   17.920   48.201   18.487 -9.736317 25.74688 
1 1 1   18   13   31 o   57.744   14.887   7.8305   5.2224   12.061   8.2124   4.9585   6.7670   65.759   22.357   49.729   19.663 16.02959 29.77348 
1 1 1   18   13   32 o  103.930   13.683   28.970   6.4508   36.304   9.9767   23.702   8.4564  116.346   18.348   91.514   20.303 24.83260 27.36561 
1 1 1   18   13   33 o  109.265   17.544   36.235   8.1693   37.404   15.508   35.786   9.6109  103.128   30.225  115.402   17.820 -12.27374 35.08704 
1 1 1   18   13   34 o   54.643   14.437   7.1042   5.3390   1.4319   8.2176   11.248   7.0234   46.227   20.171   63.059   20.660 -16.83247 28.87353 
1 1 1   18   13   35 o   99.709   14.791   28.777   6.7836   22.578   9.8662   34.335   9.3421   86.009   23.759  113.409   17.626 -27.39986 29.58293 
1 1 1   18   13   36 o   51.039   14.518   5.9552   5.3388   4.0452   8.3347   7.2842   6.9524   49.088   20.849   52.990   20.210 -3.902275 29.03646 
1 1 1   18   13   37 f   55.390   14.970   8.6321   5.3681   7.9859   8.5314   9.0556   6.9068   54.744   21.936   56.036   20.378 -1.291561 29.94088 
1 1 1   18   13   38 o   39.672   12.432  -0.1538   4.6469   3.3835   6.8454  -3.1772   6.3285   44.749   18.944   34.596   16.104 10.15330 24.86403 
1 1 1   18   13   39 o   50.064   14.196   6.1334   5.3054   1.8035   8.0422   9.4697   7.0594   44.124   19.575   56.004   20.566 -11.87989 28.39272 
1 1 1   18   13   40 f   80.372   17.866   25.205   7.9516   28.011   9.4957   18.620   14.547   93.139   22.140   67.605   28.047 25.53416 35.73228 
1 1 1   18   13   41 o   74.371   18.538   20.771   7.7175   19.523   9.2608   23.607   13.962   74.654   23.660   74.087   28.545 0.5671997 37.07588 
1 1 1   18   13   42 o   67.966   26.476   19.480   12.113   0.0000   0.0000   19.480   12.113  ?   ?    67.966   26.476      ?      ? 
1 1 1   18   13   43 o   39.052   12.950  -1.4776   5.6601  -4.9953   10.571  -0.0636   6.7018   40.270   19.338   37.833   17.227 2.436779 25.89907 
1 1 1   18   14    0 o  102.617   11.847   27.096   7.3920   27.096   7.3920   27.096   7.3920  102.617   16.755  102.617   16.755 -0.000000 0.000000 
1 1 1   18   14    1 o  131.374   9.5622   40.660   5.7509   36.271   7.2952   47.865   9.3468  122.548   12.738  140.200   14.265 -17.65199 19.12440 
1 1 1   18   14    2 o  103.252   8.2308   25.713   3.9424   29.310   5.5886   22.150   5.5623  110.664   10.806   95.839   12.418 14.82458 16.46156 
1 1 1   18   14    3 o  111.258   8.3812   29.774   4.3573   30.300   6.1526   29.246   6.1716  112.276   11.725  110.240   11.979 2.036324 16.76244 
1 1 1   18   14    4 o  119.968   9.1921   34.623   5.0720   35.923   7.9650   33.736   6.5782  121.517   14.025  118.420   11.886 3.096741 18.38429 
1 1 1   18   14    5 o   91.752   7.8477   20.390   3.3249   17.326   4.7909   23.237   4.6182   84.816   12.086   98.687   10.013 -13.87029 15.69534 
1 1 1   18   14    6 o  195.599   12.127   95.303   10.773   96.568   13.795   93.325   17.248  198.700   14.855  192.497   19.172 6.202377 24.25336 
1 1 1   18   14    7 o  123.673   9.6105   36.314   5.3904   33.862   6.7544   40.614   8.9456  118.512   12.195  128.834   14.857 -10.32178 19.22109 
1 1 1   18   14    8 o  251.499   14.559  162.278   16.629  166.258   21.397  156.207   26.427  258.134   17.736  244.865   23.093 13.26913 29.11794 
1 1 1   18   14    9 o  132.092   11.613   39.773   6.4459   35.811   7.4682   51.343   12.764  121.531   13.149  142.653   19.145 -21.12135 23.22528 
1 1 1   18   14   10 o  153.156   10.483   57.403   7.3493   57.190   9.4906   57.723   11.615  153.520   13.228  152.792   16.266 0.7276306 20.96593 
1 1 1   18   14   11 o  101.357   15.937   26.482   6.7558   29.992   12.843   25.139   7.9437  103.648   26.431   99.067   17.812 4.580933 31.87315 
1 1 1   18   14   12 o   96.994   15.840   26.610   6.8323   19.728   12.294   29.686   8.2182   84.407   27.315  109.581   16.047 -25.17442 31.68008 
1 1 1   18   14   13 o   77.565   16.120   16.436   6.1012   13.975   10.779   17.596   7.4010   73.357   25.586   81.772   19.617 -8.414864 32.24081 
1 1 1   18   14   14 o   98.404   16.506   26.844   8.6096   8.9567   12.478   43.098   11.895   66.677   26.593  130.131   19.558 -63.45404 33.01118 
1 1 1   18   14   15 o   63.333   14.706   10.236   5.0358   9.7394   7.2224   10.706   7.0252   62.234   20.967   64.432   20.627 -2.198578 29.41238 
1 1 1   18   14   16 o  187.926   12.970   90.273   11.206   74.573   16.092  105.052   15.613  170.348   20.213  205.504   16.256 -35.15543 25.93911 
1 1 1   18   14   17 o  131.562   11.497   42.783   7.0402   47.057   10.546   39.348   9.4559  137.358   16.428  125.766   16.088 11.59208 22.99332 
1 1 1   18   14   18 o  134.825   12.049   46.069   7.4958   39.622   10.856   51.942   10.362  124.822   18.610  144.828   15.310 -20.00634 24.09783 
1 1 1   18   14   19 o  121.389   17.694   45.392   9.3884   55.107   11.600   26.947   15.984  148.259   16.742   94.519   31.177 53.74009 35.38773 
1 1 1   18   14   20 o  248.613   16.701  165.794   19.403  166.531   27.624  165.076   27.260  248.995   23.738  248.230   23.498 0.7653503 33.40133 
1 1 1   18   14   21 o  138.511   11.543   47.563   7.4306   54.774   11.137   41.779   9.9753  147.999   16.102  129.023   16.543 18.97678 23.08567 
1 1 1   18   14   22 o   82.200   15.657   18.121   6.1220   15.084   8.0289   22.338   9.4622   74.410   21.730   89.989   22.545 -15.57883 31.31301 
1 1 1   18   14   23 o   88.213   18.609   21.632   8.0521   27.799   13.286   18.051   10.123   96.586   27.882   79.841   24.653 16.74450 37.21736 
1 1 1   18   14   24 o  100.050   16.866   27.150   6.9913   31.340   14.017   25.762   8.0662  101.294   28.442   98.807   18.136 2.486710 33.73190 
1 1 1   18   14   25 o   70.616   17.579   11.956   6.9633   21.088   12.215   7.5600   8.4751   83.603   27.239   57.628   22.230 25.97482 35.15868 
1 1 1   18   14   26 o   76.718   15.870   16.498   5.9845   15.857   7.7918   17.419   9.3452   75.469   21.210   77.967   23.614 -2.498642 31.74090 
1 1 1   18   14   27 o   45.776   14.067  -1.7978   5.5412   6.4558   9.3580  -6.2542   6.8763   57.004   22.927   34.548   16.304 22.45678 28.13316 
1 1 1   18   14   28 o   65.606   16.196   11.166   5.6370   12.493   10.985   10.692   6.5677   68.240   25.542   62.972   19.921 5.268387 32.39173 
1 1 1   18   14   29 o  122.801   13.779   41.002   7.5840   35.631   11.136   45.649   10.357  112.593   21.951  133.009   16.661 -20.41603 27.55844 
1 1 1   18   14   30 o  147.264   13.582   59.089   9.2043   52.990   13.650   64.174   12.464  138.123   21.146  156.405   17.052 -18.28188 27.16479 
1 1 1   18   14   31 o  102.381   13.753   28.508   6.3961   46.574   9.8018   15.111   8.4409  133.699   15.687   71.063   22.595 62.63601 27.50671 
1 1 1   18   14   32 o   74.783   15.229   15.966   5.5441   19.683   8.7707   13.492   7.1548   81.235   22.385   68.332   20.654 12.90312 30.45772 
1 1 1   18   14   33 o   67.080   15.035   12.181   5.1660   16.829   8.5798   9.5367   6.4704   75.231   22.590   58.930   19.846 16.30146 30.06944 
1 1 1   18   14   34 o  130.931   12.347   45.921   7.5358   50.186   11.120   42.299   10.248  136.562   17.423  125.300   17.500 11.26244 24.69458 
1 1 1   18   14   35 o   53.857   14.880   7.7573   5.5960  -1.3677   11.958   10.316   6.3321   48.332   22.373   59.381   19.625 -11.04861 29.76031 
1 1 1   18   14   36 o   47.078   14.667  -1.1429   6.2683  -7.6115   7.8062   10.599   10.517   34.530   16.592   59.626   24.192 -25.09658 29.33471 
1 1 1   18   14   37 o   66.200   17.373   14.671   6.7419   15.160   13.789   14.517   7.7287   65.097   27.181   67.303   21.644 -2.205795 34.74574 
1 1 1   18   14   38 o   56.192   15.073   9.6692   5.5157   7.7117   8.5375   11.071   7.2261   53.071   21.695   59.312   20.930 -6.241619 30.14561 
1 1 1   18   14   39 o   35.650   11.638  -2.0712   4.5046  -2.5306   6.8233  -1.7163   5.9973   36.244   16.821   35.055   16.088 1.188698 23.27583 
1 1 1   18   14   40 o   49.787   14.275   6.4446   5.0772   7.7708   8.1042   5.5878   6.5139   52.325   21.234   47.249   19.085 5.075768 28.54972 
1 1 1   18   14   41 o   37.960   12.131   0.0350   4.6522  -2.5566   7.1263   1.9597   6.1414   36.178   16.922   39.743   17.387 -3.565075 24.26246 
1 1 1   18   15    0 o  109.436   12.468   30.895   8.3162   30.895   8.3162   30.895   8.3162  109.436   17.633  109.436   17.633 -0.000000 0.000000 
1 1 1   18   15    1 o  152.794   10.023   57.356   6.9426   58.676   8.8809   55.280   11.133  155.919   12.187  149.668   15.916 6.251297 20.04665 
1 1 1   18   15    2 o  120.155   8.4728   34.961   4.7178   40.194   6.6923   29.791   6.6518  129.407   11.066  110.903   12.834 18.50407 16.94562 
1 1 1   18   15    3 o  156.406   8.2332   59.055   5.9768   67.373   8.5061   50.943   8.3999  167.615   10.859  145.197   12.379 22.41820 16.46642 
1 1 1   18   15    4 o  162.571   8.9390   64.093   6.7701   69.568   9.5547   58.573   9.5942  169.818   12.039  155.323   13.217 14.49509 17.87799 
1 1 1   18   15    5 o  248.803   11.827  153.772   13.743  147.498   19.412  160.077   19.459  243.412   17.065  254.193   16.380 -10.78087 23.65372 
1 1 1   18   15    6 o  130.805   9.7458   40.793   5.8108   37.825   7.3379   45.784   9.5155  125.021   12.559  136.589   14.906 -11.56842 19.49164 
1 1 1   18   15    7 o  192.013   12.313   94.058   10.615  101.009   13.637   83.376   16.906  203.193   14.361  180.834   20.004 22.35933 24.62538 
1 1 1   18   15    8 o  147.271   10.000   51.653   6.7471   46.549   8.5786   59.931   10.925  138.367   13.266  156.175   14.968 -17.80830 20.00082 
1 1 1   18   15    9 o  158.225   11.164   63.317   7.8971   67.886   10.078   56.047   12.712  167.241   12.894  149.209   18.229 18.03229 22.32837 
1 1 1   18   15   10 o  138.786   13.150   45.425   8.1724   37.862   9.9621   60.989   14.291  123.003   17.330  154.569   19.783 -31.56640 26.29978 
1 1 1   18   15   11 o   78.052   13.353   16.184   4.8164   14.260   7.2710   17.688   6.4293   73.285   20.452   82.820   17.174 -9.535439 26.70616 
1 1 1   18   15   12 o  116.299   15.348   34.877   7.5405   37.969   13.675   33.527   9.0389  116.695   25.763  115.902   16.687 0.7930908 30.69515 
1 1 1   18   15   13 o  182.913   16.145   85.782   13.114   96.808   22.768   80.309   16.042  188.507   25.844  177.318   19.358 11.18887 32.28976 
1 1 1   18   15   14 o  187.364   18.818   97.980   14.804   92.893   25.542  100.553   18.166  176.709   32.111  198.019   19.630 -21.30981 37.63590 
1 1 1   18   15   15 o  134.380   15.527   45.642   8.9716   54.868   15.993   41.406   10.837  140.944   25.204  127.815   18.143 13.12861 31.05491 
1 1 1   18   15   16 o  117.832   16.663   36.504   8.9513   47.991   13.944   28.453   11.674  134.952   22.109  100.712   24.935 34.24030 33.32524 
1 1 1   18   15   17 o  221.386   19.337  136.197   18.468  138.788   32.651  134.979   22.395  215.474   32.424  227.298   21.082 -11.82434 38.67487 
1 1 1   18   15   18 o  218.307   24.348  147.054   24.814  142.056   35.262  151.956   34.924  213.118   35.403  223.495   33.436 -10.37624 48.69634 
1 1 1   18   15   19 o  175.380   18.215   85.989   13.453   87.834   16.526   82.364   23.165  184.750   19.140  166.010   30.998 18.73932 36.43058 
1 1 1   18   15   20 o  165.908   15.358   70.794   11.134   79.714   19.912   66.735   13.430  169.993   25.063  161.822   17.759 8.171265 30.71699 
1 1 1   18   15   21 o   72.856   15.779   15.171   5.6321   10.708   11.735   16.506   6.4197   66.754   26.044   78.958   17.820 -12.20386 31.55705 
1 1 1   18   15   22 o   80.371   18.430   18.616   7.7438   20.828   12.591   17.270   9.8208   83.188   27.682   77.554   24.337 5.633919 36.85904 
1 1 1   18   15   23 o   73.289   27.154   15.168   12.353   15.168   12.353   0.0000   0.0000   73.289   27.154  ?   ?       ?      ? 
1 1 1   18   15   24 o   60.135   20.327   9.4716   6.7886   9.4716   6.7886   0.0000   0.0000   60.135   20.327  ?   ?       ?      ? 
1 1 1   18   15   25 o   57.380   20.821   8.1183   7.2047   8.1183   7.2047   0.0000   0.0000   57.380   20.821  ?   ?       ?      ? 
1 1 1   18   15   26 o   74.628   15.864   15.878   6.2391   20.419   8.5256   10.642   9.1549   85.412   21.402   63.844   23.424 21.56777 31.72894 
1 1 1   18   15   27 o   91.728   15.658   27.846   7.1690   10.923   13.306   34.767   8.5098   66.705   27.155  116.751   15.596 -50.04566 31.31536 
1 1 1   18   15   28 o  136.516   19.772   58.192   12.153   62.664   18.079   54.504   16.416  140.773   28.458  132.259   27.457 8.514404 39.54397 
1 1 1   18   15   29 o   66.664   15.028   12.040   5.4735   18.765   8.4147   7.1080   7.2063   79.576   21.925   53.753   20.558 25.82379 30.05520 
1 1 1   18   15   30 o   67.277   14.853   13.346   5.3379   9.8001   8.1586   16.000   7.0583   59.809   22.086   74.745   19.866 -14.93641 29.70544 
1 1 1   18   15   31 o   60.686   14.673   10.352   5.0523   7.9138   8.3096   11.782   6.3637   56.646   21.967   64.726   19.460 -8.079906 29.34642 
1 1 1   18   15   32 o   42.978   12.964   1.9219   4.5977  -1.6657   7.9090   3.7531   5.6505   41.436   18.809   44.520   17.848 -3.083771 25.92896 
1 1 1   18   15   33 o   63.933   16.473   11.765   5.7689   14.445   11.878   10.938   6.5996   66.780   26.161   61.086   20.027 5.694031 32.94677 
1 1 1   18   15   34 o   74.942   15.213   17.526   5.5635   17.500   8.7485   17.543   7.2091   73.489   22.955   76.394   19.969 -2.904610 30.42517 
1 1 1   18   15   35 o   92.231   14.738   26.008   6.1592   25.808   9.3970   26.159   8.1552   90.088   22.411   94.373   19.145 -4.284828 29.47500 
1 1 1   18   15   36 o   40.978   12.693   1.5461   4.6224  -1.0786   7.7341   3.0046   5.7653   40.123   18.361   41.833   17.530 -1.710304 25.38540 
1 1 1   18   15   37 f   50.798   14.242   6.6147   4.8632   9.2422   8.1230   5.1468   6.0715   55.375   21.650   46.221   18.511 9.153996 28.48487 
1 1 1   18   15   38 o   86.423   15.766   24.728   6.4227   22.944   9.7236   26.109   8.5545   81.158   23.975   91.689   20.480 -10.53006 31.53154 
1 1 1   18   15   39 o   48.342   13.929   5.6782   5.3265  -0.1998   8.4881   9.4966   6.8412   41.723   19.145   54.961   20.236 -13.23714 27.85763 
1 1 1   18   15   40 f   45.145   13.329   3.8615   5.2322  -3.9969   8.2721   9.1021   6.7552   37.098   17.618   53.192   20.006 -16.09399 26.65762 
1 1 1   18   16    0 o   87.948   9.3598   19.592   5.0768   19.592   5.0768   19.592   5.0768   87.948   13.237   87.948   13.237 -0.000000 0.000000 
1 1 1   18   16    1 o  162.589   10.612   64.970   7.8849   64.419   10.140   65.814   12.541  162.592   13.344  162.585   16.504 0.6927490E-02 21.22401 
1 1 1   18   16    2 o  159.973   11.402   65.994   8.0759   74.177   10.387   53.484   12.842  174.796   12.715  145.151   18.931 29.64441 22.80462 
1 1 1   18   16    3 o  177.805   10.786   77.288   8.8020   74.193   11.333   81.995   13.974  174.150   13.924  181.459   16.477 -7.308746 21.57282 
1 1 1   18   16    4 o   94.802   8.2857   21.775   3.6548   20.707   5.3374   22.718   5.0151   92.435   12.355   97.169   11.043 -4.734116 16.57130 
1 1 1   18   16    5 o  183.276   10.290   80.146   8.6789   98.032   13.800   68.442   11.163  199.542   14.798  167.010   14.302 32.53235 20.57952 
1 1 1   18   16    6 o  250.058   15.373  165.658   17.303  175.659   22.274  150.439   27.477  263.769   18.069  236.348   24.875 27.42078 30.74529 
1 1 1   18   16    7 o  285.280   14.507  201.598   18.912  156.506   24.284  271.099   30.148  245.489   21.166  325.071   19.844 -79.58194 29.01388 
1 1 1   18   16    8 o  185.509   10.985   82.956   9.3613   73.143   11.968   98.425   15.026  172.207   14.870  198.811   16.172 -26.60396 21.96944 
1 1 1   18   16    9 o   55.329   11.962   7.0955   3.2535   5.4662   3.9756   10.399   5.6613   47.467   15.543   63.191   18.188 -15.72348 23.92484 
1 1 1   18   16   10 o  106.512   14.885   30.641   6.9079   32.368   8.6088   27.517   11.576  113.936   16.167   99.089   24.998 14.84719 29.77044 
1 1 1   18   16   11 o  148.361   11.944   55.042   8.1826   66.765   11.951   44.695   11.227  163.940   15.598  132.781   18.092 31.15961 23.88772 
1 1 1   18   16   12 o  184.216   19.240   98.209   14.391   83.965   25.190  105.111   17.535  165.240   33.760  203.193   18.465 -37.95303 38.48002 
1 1 1   18   16   13 o  189.248   16.521   93.163   13.773  104.259   24.215   87.856   16.746  193.603   26.762  184.893   19.379 8.710495 33.04205 
1 1 1   18   16   14 o   71.641   14.920   13.715   5.3185   15.024   7.9089   12.635   7.1859   74.470   21.516   68.811   20.677 5.658356 29.84034 
1 1 1   18   16   15 o   79.567   14.276   17.296   5.3173   14.891   8.2408   19.011   6.9601   73.973   22.123   85.161   18.048 -11.18848 28.55120 
1 1 1   18   16   16 o  131.636   11.947   43.365   7.3105   47.356   11.060   40.269   9.7418  136.726   17.309  126.546   16.472 10.18050 23.89440 
1 1 1   18   16   17 o  181.400   18.310   84.405   15.523   0.0000   0.0000   84.405   15.523  ?   ?   181.400   18.310      ?      ? 
1 1 1   18   16   18 o   59.678   18.016   9.3517   5.4461   0.0000   0.0000   9.3517   5.4461  ?   ?    59.678   18.016      ?      ? 
1 1 1   18   16   19 o   58.469   17.951   8.9919   5.3760   0.0000   0.0000   8.9919   5.3760  ?   ?    58.469   17.951      ?      ? 
1 1 1   18   16   20 o   81.094   22.692   18.691   8.9385   0.0000   0.0000   18.691   8.9385  ?   ?    81.094   22.692      ?      ? 
1 1 1   18   16   21 o  129.558   17.202   47.278   10.175   54.079   14.829   41.228   13.988  140.514   22.581  118.602   25.957 21.91136 34.40461 
1 1 1   18   16   22 o   48.888   13.869   2.7034   5.3837  -5.2113   8.2925   8.4697   7.0781   39.728   18.473   58.048   20.690 -18.32011 27.73707 
1 1 1   18   16   23 o   95.627   15.737   26.674   7.1339   32.473   9.3173   18.456   11.090  112.048   17.793   79.206   25.962 32.84192 31.47379 
1 1 1   18   16   24 o   86.862   14.522   21.557   5.8128   17.237   9.0476   24.593   7.5854   77.342   23.192   96.382   17.484 -19.04024 29.04401 
1 1 1   18   16   25 o   60.766   13.836   9.6301   5.1512   1.3370   7.9001   15.764   6.7942   45.993   19.925   75.539   19.203 -29.54573 27.67241 
1 1 1   18   16   26 o   77.841   18.044   18.782   7.5172   18.905   11.788   18.698   9.7589   77.275   26.768   78.407   24.204 -1.132187 36.08832 
1 1 1   18   16   27 o   53.709   14.963   3.2785   4.8663   15.151   10.378  -0.0678   5.5095   70.183   25.049   37.235   16.374 32.94817 29.92606 
1 1 1   18   16   28 o   52.281   15.278   5.2399   6.1431   0.4929   10.587   7.6495   7.5429   49.398   22.150   55.165   21.048 -5.766621 30.55506 
1 1 1   18   16   29 o  203.709   15.607  118.323   14.697  102.907   20.946  133.272   20.626  187.430   23.912  219.987   20.062 -32.55716 31.21317 
1 1 1   18   16   30 o   93.032   14.813   24.651   6.2845   30.190   9.4783   20.306   8.3952  102.963   20.418   83.101   21.465 19.86228 29.62541 
1 1 1   18   16   31 o   46.185   14.921  -1.6743   6.7705   4.1648   11.599  -4.6918   8.3384   53.573   23.650   38.797   18.198 14.77619 29.84101 
1 1 1   18   16   32 o   93.986   13.208   24.530   5.9510   44.743   9.2248   10.122   7.7884  129.544   15.237   58.428   21.578 71.11611 26.41553 
1 1 1   18   16   33 o   91.635   14.746   25.850   6.1626   23.607   9.2351   27.650   8.2744   85.749   22.691   97.521   18.837 -11.77125 29.49122 
1 1 1   18   16   34 o   43.760   12.870   2.9639   4.6640  -2.4564   7.3161   6.6748   6.0535   37.767   17.488   49.754   18.886 -11.98677 25.73972 
1 1 1   18   16   35 o   86.013   14.332   22.640   5.7516   29.804   8.5688   16.766   7.7592  100.157   19.001   71.870   21.461 28.28665 28.66379 
1 1 1   18   16   36 o   42.836   13.027   2.3342   4.6300   5.1850   7.3498   0.4587   5.9616   47.770   19.886   37.903   16.832 9.866718 26.05368 
1 1 1   18   16   37 o   40.357   11.784  -0.0143   4.5411 -13.1856   7.4529   7.7632   5.7270   29.263   14.499   51.451   18.580 -22.18800 23.56786 
1 1 1   18   16   38 o   51.810   14.342   8.4420   5.4288  -0.9446   11.552   11.102   6.1502   44.940   21.185   58.680   19.338 -13.73946 28.68401 
1 1 1   18   16   39 o   64.734   16.516   15.782   6.3614   14.314   8.4883   17.664   9.6080   62.335   22.603   67.133   24.087 -4.798153 33.03143 
1 1 1   18   17    0 o  160.130   9.0184   62.283   9.4053   62.283   9.4053   62.283   9.4053  160.130   12.754  160.130   12.754 -0.000000 0.000000 
1 1 1   18   17    1 o  174.196   11.071   74.599   8.8322   71.338   11.316   79.682   14.127  170.296   14.219  178.096   16.973 -7.799881 22.14188 
1 1 1   18   17    2 o  224.618   12.243  127.544   12.532  129.340   16.152  124.827   19.865  228.546   15.122  220.690   19.260 7.856171 24.48695 
1 1 1   18   17    3 o  200.200   9.3197   97.897   8.7097  104.173   12.427   91.839   12.210  206.711   12.864  193.689   13.489 13.02251 18.63946 
1 1 1   18   17    4 o  160.928   11.419   66.030   8.2615   71.040   10.640   58.422   13.111  170.413   13.359  151.443   18.524 18.96942 22.83880 
1 1 1   18   17    5 o   99.531   13.731   25.145   5.9406   22.698   7.3489   29.759   10.092   93.687   17.426  105.374   21.226 -11.68797 27.46230 
1 1 1   18   17    6 o  165.688   8.4709   66.909   6.4864   78.699   9.2343   55.427   9.1132  180.674   10.936  150.702   12.939 29.97176 16.94177 
1 1 1   18   17    7 o  137.627   12.968   47.304   7.1424   46.434   8.2080   50.015   14.495  138.013   12.725  137.240   22.599 0.7731781 25.93571 
1 1 1   18   17    8 o  143.567   9.8366   48.582   6.4601   40.116   8.1954   62.475   10.499  127.828   13.718  159.306   14.101 -31.47760 19.67322 
1 1 1   18   17    9 o  188.336   11.523   87.795   9.9218   83.871   12.670   94.018   15.955  184.121   14.724  192.551   17.729 -8.430557 23.04609 
1 1 1   18   17   10 o  236.271   14.995  146.794   16.472  131.338   23.277  162.298   23.314  222.275   22.408  250.267   19.933 -27.99287 29.99049 
1 1 1   18   17   11 o  109.063   13.847   28.844   6.6848   45.583   11.097   19.309   8.3750  133.918   17.730   84.208   21.274 49.71024 27.69342 
1 1 1   18   17   12 o  110.099   13.598   29.603   6.6256   40.151   11.386   24.204   8.1469  124.449   19.577   95.749   18.877 28.70002 27.19584 
1 1 1   18   17   13 o  125.931   15.601   41.135   8.0382   46.898   15.369   38.965   9.4311  127.489   26.652  124.373   16.225 3.116119 31.20225 
1 1 1   18   17   14 o  149.172   16.519   60.533   10.192   62.369   18.512   59.734   12.209  145.227   28.293  153.118   17.062 -7.890945 33.03898 
1 1 1   18   17   15 o   69.113   15.260   13.548   5.1765   9.1983   11.246   14.717   5.8309   63.617   25.286   74.608   17.090 -10.99035 30.51996 
1 1 1   18   17   16 o   45.835   14.241  -0.4127   4.8423   5.1641   10.526  -1.9095   5.4535   56.749   23.726   34.920   15.757 21.82844 28.48171 
1 1 1   18   17   17 o   87.659   17.899   22.467   7.5390   23.247   12.745   22.048   9.3503   87.135   27.771   88.183   22.588 -1.047897 35.79700 
1 1 1   18   17   18 o   99.231   14.398   27.482   6.4721   32.331   8.6031   21.158   9.8237  112.699   16.334   85.764   23.714 26.93481 28.79524 
1 1 1   18   17   19 o  128.153   15.151   43.671   8.6340   40.650   10.920   48.710   14.102  124.835   18.717  131.471   23.829 -6.636436 30.30134 
1 1 1   18   17   20 o  166.765   16.158   76.225   12.062   75.918   15.151   76.757   19.932  170.115   19.057  163.415   26.099 6.700226 32.31620 
1 1 1   18   17   21 o  116.080   15.685   35.734   7.5644   41.636   14.289   33.435   8.9164  118.073   26.540  114.087   16.723 3.985756 31.36926 
1 1 1   18   17   22 o   60.112   15.594   9.3520   5.4459   7.2622   10.742   10.075   6.3181   59.236   24.289   60.988   19.565 -1.752144 31.18884 
1 1 1   18   17   23 o   59.508   15.822   7.6837   5.3801   14.142   10.588   5.4356   6.2466   69.456   25.235   49.561   19.094 19.89544 31.64453 
1 1 1   18   17   24 o   59.440   15.414   9.7002   5.4406   6.3741   10.764   10.841   6.3054   56.747   23.875   62.133   19.501 -5.386353 30.82711 
1 1 1   18   17   25 o  104.478   16.851   33.336   7.6938   31.558   13.972   34.110   9.2173   95.993   28.828  112.962   17.459 -16.96918 33.70280 
1 1 1   18   17   26 o   90.183   17.023   25.440   7.0765   22.813   13.032   26.538   8.4271   82.613   28.163   97.753   19.131 -15.14021 34.04649 
1 1 1   18   17   27 o   77.420   16.468   18.131   6.1743   16.974   11.797   18.568   7.2460   73.551   26.650   81.288   19.352 -7.736809 32.93501 
1 1 1   18   17   28 o  138.693   17.636   61.845   10.373   72.068   13.232   45.545   16.708  164.098   17.253  113.289   30.763 50.80952 35.27134 
1 1 1   18   17   29 o  186.158   14.924  101.148   12.476  130.864   17.959   73.435   17.343  218.411   17.594  153.905   24.112 64.50598 29.84857 
1 1 1   18   17   30 o   61.978   15.165   11.557   5.2986   13.657   8.1903   10.045   6.9486   65.708   22.327   58.248   20.528 7.459885 30.32957 
1 1 1   18   17   31 o   79.267   14.982   19.563   5.6452   19.492   8.4135   19.621   7.6133   78.206   22.062   80.329   20.277 -2.122818 29.96491 
1 1 1   18   17   32 o  117.854   17.395   48.385   9.1287   54.855   11.557   37.650   14.886  139.116   17.775   96.591   29.907 42.52503 34.79054 
1 1 1   18   17   33 o   69.905   14.692   15.887   5.2503   13.182   8.1250   17.827   6.8796   63.235   22.205   76.575   19.246 -13.34053 29.38472 
1 1 1   18   17   34 o   65.025   13.336   13.419   5.1149   3.6685   7.8640   20.568   6.7339   46.123   19.930   83.927   17.724 -37.80462 26.67110 
1 1 1   18   17   35 o   54.772   14.576   9.1266   5.0213   9.2673   7.9465   9.0331   6.4786   55.019   21.441   54.524   19.750 0.4954414 29.15111 
1 1 1   18   17   36 o   37.595   11.802  -0.4936   4.5436  -8.3838   7.4186   4.2428   5.7478   31.994   15.564   43.196   17.746 -11.20189 23.60407 
1 1 1   18   17   37 o   64.493   16.261   15.857   6.5241   19.495   8.6390   11.027   9.9529   73.136   22.806   55.849   23.187 17.28662 32.52260 
1 1 1   18   18    0 o  135.995   8.8879   45.245   7.8319   45.245   7.8319   45.245   7.8319  135.995   12.569  135.995   12.569 -0.000000 0.000000 
1 1 1   18   18    1 o  144.625   9.9242   49.477   6.5652   63.588   10.675   40.892   8.3261  160.412   14.239  128.837   13.828 31.57445 19.84834 
1 1 1   18   18    2 o   58.158   12.242   8.4716   3.4881   7.4264   4.3992   10.241   5.7243   53.881   16.175   62.435   18.381 -8.554020 24.48493 
1 1 1   18   18    3 f  131.910   9.1329   42.654   5.6219   40.670   8.0227   44.568   7.8804  128.692   13.339  135.128   12.479 -6.435532 18.26590 
1 1 1   18   18    4 o   42.049   10.354   3.7671   2.6830   0.9591   3.9806   6.1046   3.6319   34.956   14.600   49.143   14.684 -14.18700 20.70757 
1 1 1   18   18    5 o   62.678   10.298   10.275   3.1873   5.0692   4.6355   14.943   4.3896   47.018   16.745   78.339   11.990 -31.32083 20.59515 
1 1 1   18   18    6 o   34.291   8.7577   2.1472   2.0834  -2.8549   3.8447   4.2266   2.4789   27.376   12.677   41.206   12.086 -13.82974 17.51539 
1 1 1   18   18    7 o  117.604   10.786   34.400   5.9033   30.412   8.0428   39.058   8.6922  110.060   15.636  125.148   14.861 -15.08826 21.57201 
1 1 1   18   18    8 o  144.826   14.933   55.920   8.0752   55.829   9.2058   56.223   16.818  150.584   13.081  139.068   26.849 11.51596 29.86577 
1 1 1   18   18    9 o  136.399   19.222   55.188   11.929   44.582   17.335   64.728   16.440  118.819   30.920  153.978   22.846 -35.15931 38.44424 
1 1 1   18   18   10 o   50.205   14.052   4.9073   4.8652  -1.8044   9.8351   7.0818   5.5981   47.051   21.202   53.358   18.448 -6.307117 28.10431 
1 1 1   18   18   11 o  152.238   16.767   59.290   11.930   0.0000   0.0000   59.290   11.930  ?   ?   152.238   16.767      ?      ? 
1 1 1   18   18   12 o  139.428   27.855   58.214   17.516   0.0000   0.0000   58.214   17.516  ?   ?   139.428   27.855      ?      ? 
1 1 1   18   18   13 o   42.487   13.658  -3.8659   5.8359   1.3882   9.2779  -7.3057   7.5069   49.505   21.519   35.469   16.827 14.03508 27.31688 
1 1 1   18   18   14 o   54.865   15.541   4.4436   6.0621   10.819   9.7985   0.4899   7.7160   64.856   24.153   44.874   19.564 19.98212 31.08242 
1 1 1   18   18   15 o   97.106   14.818   26.038   6.4381   26.662   8.3621   25.129   10.089  100.123   18.554   94.089   23.111 6.033813 29.63692 
1 1 1   18   18   16 o  110.470   15.260   32.190   7.6520   22.561   9.9627   46.042   11.949   88.625   23.624  132.315   19.324 -43.68964 30.52038 
1 1 1   18   18   17 o   80.387   21.389   18.115   8.1766   18.115   8.1766   0.0000   0.0000   80.387   21.389  ?   ?       ?      ? 
1 1 1   18   18   18 o  131.267   15.773   46.652   9.1018   43.211   11.328   52.919   15.287  127.844   18.960  134.690   25.213 -6.846382 31.54655 
1 1 1   18   18   19 o   96.318   12.794   23.950   5.5555   34.364   8.6201   16.552   7.2656  115.679   15.945   76.957   20.013 38.72221 25.58841 
1 1 1   18   18   20 o   90.686   13.442   21.687   5.6041   29.885   8.7563   15.999   7.2934  106.330   17.621   75.043   20.304 31.28706 26.88354 
1 1 1   18   18   21 o  121.619   14.326   42.332   7.6481   31.789   11.209   51.517   10.462  102.692   23.817  140.546   15.928 -37.85362 28.65204 
1 1 1   18   18   22 o  115.599   13.895   37.410   7.2355   34.714   10.781   39.620   9.7597  109.150   21.897  122.048   17.111 -12.89720 27.78928 
1 1 1   18   18   23 o   85.046   14.415   20.629   5.6240   21.481   8.4907   19.964   7.5069   85.961   21.255   84.130   19.477 1.830353 28.82899 
1 1 1   18   18   24 o   68.145   14.971   13.224   5.2439   15.184   7.9503   11.715   6.9767   72.028   21.772   64.262   20.554 7.766617 29.94139 
1 1 1   18   18   25 o   94.897   15.388   22.106   6.4896   42.824   12.015   13.571   7.7113  121.694   21.932   68.099   21.591 53.59477 30.77580 
1 1 1   18   18   26 o  104.153   16.398   29.455   7.2811   45.540   13.608   23.002   8.6187  120.330   25.013   87.975   21.210 32.35536 32.79517 
1 1 1   18   18   27 o   65.107   16.503   10.896   7.1604   1.0193   9.5303   23.699   10.850   46.729   20.980   83.484   25.480 -36.75434 33.00559 
1 1 1   18   18   28 o   57.003   14.895   9.6519   5.4071   5.6359   9.3181   11.691   6.6393   51.767   22.017   62.240   20.066 -10.47371 29.78909 
1 1 1   18   18   29 o  104.041   17.501   34.592   7.9714   41.208   14.096   31.482   9.6653  106.487   27.965  101.594   21.049 4.892815 35.00129 
1 1 1   18   18   30 o   90.235   15.332   26.437   6.5521   19.592   9.5204   32.597   9.0310   75.341   24.001  105.129   19.084 -29.78803 30.66329 
1 1 1   18   18   31 o   60.691   21.792   11.906   7.8655   11.906   7.8655   0.0000   0.0000   60.691   21.792  ?   ?       ?      ? 
1 1 1   18   18   32 o   72.882   16.266   19.533   6.7727   23.217   8.1930   11.584   12.035   86.191   20.617   59.574   25.164 26.61700 32.53141 
1 1 1   18   18   33 o   52.684   15.421   7.7111   6.1493   8.4614   7.7198   6.4087   10.172   53.473   21.046   51.894   22.545 1.579117 30.84172 
1 1 1   18   18   34 o   65.915   16.663   16.440   6.7237   18.520   8.4675   12.892   11.062   72.520   22.572   59.309   24.519 13.21028 33.32693 
1 1 1   18   18   35 o   52.625   14.519   6.6356   5.7085  -1.0642   7.6165   16.505   8.6229   38.541   17.846   66.710   22.906 -28.16908 29.03716 
1 1 1   18   19    0 o  101.367   10.189   26.177   6.4278   26.177   6.4278   26.177   6.4278  101.367   14.410  101.367   14.410 -0.000000 0.000000 
1 1 1   18   19    1 o  118.341   9.2938   34.633   5.1385   35.237   7.3806   34.065   7.1583  119.295   13.238  117.387   13.048 1.907234 18.58759 
1 1 1   18   19    2 o   60.302   13.363   9.8885   4.5688   3.7676   7.4387   13.596   5.7895   49.244   20.205   71.361   17.495 -22.11657 26.72608 
1 1 1   18   19    3 o   49.709   12.785   5.7454   3.9906   7.8069   4.9345   1.8479   6.7848   54.831   17.258   44.588   18.867 10.24291 25.57016 
1 1 1   18   19    4 o   83.483   10.073   16.856   3.7609   21.082   6.2494   14.457   4.7091   91.731   14.577   75.236   13.905 16.49587 20.14561 
1 1 1   18   19    5 o  106.978   8.3816   26.549   3.9369   32.406   7.1332   23.984   4.7211  114.365   13.346   99.591   10.143 14.77338 16.76310 
1 1 1   18   19    6 o   73.684   9.2183   12.607   2.8332   16.217   5.4229   11.252   3.3228   79.213   15.201   68.155   10.432 11.05745 18.43651 
1 1 1   18   19    7 o   79.578   14.978   16.831   5.2483   15.819   6.1714   19.476   9.9759   77.129   17.520   82.027   24.298 -4.898148 29.95523 
1 1 1   18   19    8 o  191.359   19.114   95.949   17.094   95.949   17.094   0.0000   0.0000  191.359   19.114  ?   ?       ?      ? 
1 1 1   18   19    9 o   75.785   17.517   16.426   7.2998   12.422   10.480   20.199   10.174   68.136   25.052   83.434   24.489 -15.29852 35.03313 
1 1 1   18   19   10 o   50.088   14.284   4.4206   5.0606   4.7054   6.4341   3.9586   8.1945   49.093   19.248   51.082   21.109 -1.989395 28.56728 
1 1 1   18   19   11 o   63.699   14.901   10.653   5.8309   16.525   7.5531   1.9913   9.1731   77.316   20.551   50.081   21.583 27.23450 29.80202 
1 1 1   18   19   12 o  164.260   15.424   69.280   11.399   58.580   13.998   90.344   19.641  148.165   20.215  180.354   23.302 -32.18913 30.84836 
1 1 1   18   19   13 o   86.380   13.526   17.043   6.0104   4.9064   7.5277   38.388   9.9830   51.179   20.571  121.581   17.569 -70.40160 27.05230 
1 1 1   18   19   14 o   79.506   12.168   18.516   5.0482   4.0855   7.6427   29.685   6.7238   49.806   20.463  109.205   13.174 -59.39892 24.33681 
1 1 1   18   19   15 o   49.996   13.349   5.6564   4.1021   5.5920   7.1519   5.6880   5.0077   51.453   20.255   48.538   17.392 2.915138 26.69772 
1 1 1   18   19   16 o   64.529   13.826   10.561   4.3855   15.965   7.5884   7.8514   5.3738   74.599   20.920   54.458   18.083 20.14132 27.65170 
1 1 1   18   19   17 o   63.396   13.926   10.910   4.3721   12.906   7.5703   9.9111   5.3555   66.766   21.416   60.027   17.808 6.739872 27.85265 
1 1 1   18   19   18 o   98.758   17.141   30.904   7.7469   33.258   9.6116   26.538   13.088  108.995   19.589   88.521   28.134 20.47414 34.28209 
1 1 1   18   19   19 o  163.593   13.856   74.114   10.504   66.611   15.135   81.086   14.590  153.597   21.084  173.590   17.984 -19.99307 27.71205 
1 1 1   18   19   20 o   73.151   14.251   14.498   5.0071   20.332   8.0581   10.829   6.3906   84.153   20.645   62.148   19.650 22.00499 28.50117 
1 1 1   18   19   21 o   44.493   12.968   2.8746   4.4915  -1.2092   7.4126   5.2437   5.6459   40.994   18.445   47.992   18.234 -6.997963 25.93657 
1 1 1   18   19   22 o   78.474   14.566   18.518   5.6478   12.338   8.5791   23.244   7.5030   65.036   22.818   91.911   18.111 -26.87479 29.13222 
1 1 1   18   19   23 o  103.001   13.317   29.023   6.1529   41.169   9.3689   19.812   8.1589  124.546   16.096   81.457   21.220 43.08923 26.63391 
1 1 1   18   19   24 o  126.179   18.135   60.681   10.468   76.381   12.922   30.708   17.854  168.099   16.448   84.260   32.327 83.83856 36.27039 
1 1 1   18   19   25 o   76.476   17.098   18.356   8.2610   34.024   11.829   3.4373   11.542  101.138   25.135   51.813   23.187 49.32534 34.19691 
1 1 1   18   19   26 o  103.005   20.864   40.536   10.584   37.820   14.830   43.354   15.108   98.594   29.722  107.415   29.289 -8.821495 41.72820 
1 1 1   18   19   27 o   55.342   15.344   8.8334   5.9524   11.229   7.6768   5.2224   9.4259   59.957   21.529   50.727   21.870 9.229660 30.68829 
1 1 1   18   19   28 o   81.920   17.587   23.807   7.2249   23.715   8.9384   23.980   12.271   85.523   22.177   78.318   27.300 7.205025 35.17303 
1 1 1   18   19   29 o   38.102   12.816  -7.7438   6.4241 -15.7860   9.0061   0.5868   9.1661   31.843   15.806   44.361   20.180 -12.51818 25.63294 
1 1 1   18   19   30 o   61.553   16.731   11.593   7.1252   4.7617   9.5744   20.073   10.667   49.629   21.711   73.478   25.463 -23.84835 33.46180 
1 1 1   18   19   31 o   56.114   15.958   7.7118   7.2569   18.081   10.188  -2.9661   10.339   69.653   24.823   42.575   20.062 27.07731 31.91657 
1 1 1   18   19   32 o   50.332   15.043   6.5332   5.7618   9.6035   10.110   5.0561   7.0121   54.610   23.065   46.055   19.317 8.555161 30.08603 
1 1 1   18   19   33 o   67.481   16.744   17.319   6.4106   18.192   11.191   16.892   7.8210   65.730   25.491   69.233   21.717 -3.502785 33.48801 
1 1 1   18   20    0 o   44.096   17.028   7.2818   7.0647   7.2818   7.0647   7.2818   7.0647   44.096   24.081   44.096   24.081 -0.000000 0.000000 
1 1 1   18   20    1 o   70.648   15.832   14.030   5.8769   14.972   8.2401   13.055   8.3841   72.835   22.199   68.461   22.579 4.373512 31.66419 
1 1 1   18   20    2 o   75.227   17.217   15.083   5.9224   15.083   5.9224   0.0000   0.0000   75.227   17.217  ?   ?       ?      ? 
1 1 1   18   20    3 o   65.078   15.745   11.151   4.7366   11.151   4.7366   0.0000   0.0000   65.078   15.745  ?   ?       ?      ? 
1 1 1   18   20    4 o   97.765   13.012   23.698   5.9454   23.698   5.9454   0.0000   0.0000   97.765   13.012  ?   ?       ?      ? 
1 1 1   18   20    5 o   92.479   13.480   21.310   5.8261   21.310   5.8261   0.0000   0.0000   92.479   13.480  ?   ?       ?      ? 
1 1 1   18   20    6 o  102.650   12.696   32.641   5.1945   40.936   6.3919   16.509   8.9139  129.711   10.544   75.590   23.100 54.12178 25.39223 
1 1 1   18   20    7 o  105.079   12.814   32.042   5.4214   36.771   6.6093   22.315   9.4784  122.382   11.556   87.775   22.874 34.60662 25.62739 
1 1 1   18   20    8 o   85.197   20.369   20.315   8.0006   20.315   8.0006   0.0000   0.0000   85.197   20.369  ?   ?       ?      ? 
1 1 1   18   20    9 o   68.410   23.998   13.471   9.4888   13.471   9.4888   0.0000   0.0000   68.410   23.998  ?   ?       ?      ? 
1 1 1   18   20   10 o   69.640   16.580   14.182   6.5797   10.132   9.6169   17.746   9.0218   61.974   23.737   77.306   23.154 -15.33108 33.15964 
1 1 1   18   20   11 o   84.158   15.365   19.236   6.1639   12.670   7.8288   29.946   9.9980   66.310   21.816  102.006   21.642 -35.69593 30.73032 
1 1 1   18   20   12 f   86.743   18.252   24.321   8.1093   20.013   12.130   27.803   10.904   78.305   27.151   95.181   24.400 -16.87620 36.50406 
1 1 1   18   20   13 o   90.627   16.169   25.310   6.8179   27.432   8.6300   21.787   11.121   98.983   19.349   82.271   25.911 16.71169 32.33827 
1 1 1   18   20   14 o  109.788   16.274   35.749   7.8632   36.176   9.7551   34.958   13.286  115.874   18.014  103.703   27.110 12.17150 32.54892 
1 1 1   18   20   15 o   34.863   11.584  -4.9947   4.7879  -4.2540   6.3628  -5.9616   7.2698   34.378   16.051   35.348   16.707 -0.9706421 23.16770 
1 1 1   18   20   16 o   53.724   14.835   6.7103   5.4568   8.4283   7.1849   4.3686   8.3883   56.677   20.758   50.770   21.199 5.907085 29.66995 
1 1 1   18   20   17 o   60.823   14.081   9.2066   5.6736   17.703   7.4944  -2.1998   8.6836   78.727   20.253   42.919   19.569 35.80857 28.16252 
1 1 1   18   20   18 o   96.805   15.842   29.857   7.3194   36.797   9.2742   18.396   11.919  118.048   16.810   75.562   26.857 42.48592 31.68443 
1 1 1   18   20   19 o   93.936   16.893   26.660   7.2504   24.252   9.1412   30.746   11.905   90.152   21.911   97.720   25.718 -7.567673 33.78595 
1 1 1   18   20   20 o   52.958   15.535   5.8395   6.0039   4.5351   7.3524   8.4503   10.402   48.277   19.976   57.639   23.798 -9.361958 31.07072 
1 1 1   18   20   21 f   56.400   15.799   8.6549   6.4524   11.784   8.1528   3.4092   10.556   61.980   22.193   50.820   22.492 11.15982 31.59783 
1 1 1   18   20   22 o   82.362   16.539   24.226   7.3434   29.772   9.0832   13.761   12.477  100.238   20.089   64.487   26.279 35.75154 33.07798 
1 1 1   18   20   23 o   65.021   16.054   14.121   6.5727   18.260   8.1392   6.3609   11.144   75.845   21.802   54.197   23.571 21.64737 32.10805 
1 1 1   18   20   24 o   53.907   15.000   7.6570   6.1178  -0.5212   10.043   12.482   7.7142   45.158   20.759   62.655   21.657 -17.49778 29.99946 
1 1 1   18   20   25 o   76.405   16.259   17.043   5.9529   28.877   10.966   12.099   7.0881   90.925   25.020   61.884   20.772 29.04097 32.51893 
1 1 1   18   20   26 o   45.258   13.026   4.4624   4.4889   0.6164   7.3873   6.7138   5.6521   41.243   18.497   49.274   18.345 -8.030224 26.05165 
1 1 1   18   20   27 o   47.110   13.483   5.3671   4.5925   4.0444   7.4397   6.1815   5.8374   46.076   19.637   48.144   18.481 -2.068470 26.96573 
1 1 1   18   20   28 o   74.176   15.069   17.769   5.4608   19.386   8.3316   16.552   7.2303   76.336   22.091   72.016   20.499 4.319817 30.13723 
1 1 1   18   20   29 o   89.081   14.825   25.760   6.0953   22.906   8.7555   28.443   8.4906   82.280   22.239   95.881   19.609 -13.60117 29.64968 
1 1 1   18   20   30 o   70.547   14.558   16.566   5.5442   24.674   8.0858   9.3706   7.6167   87.414   20.198   53.680   20.971 33.73372 29.11627 
1 1 1   18   21    0 o   88.970   14.537   22.583   7.4388   22.583   7.4388   22.583   7.4388   88.970   20.559   88.970   20.559 -0.000000 0.000000 
1 1 1   18   21    1 o   59.508   12.339   9.8549   3.6015   8.7437   6.1219   10.443   4.4538   56.647   19.303   62.369   15.377 -5.721771 24.67888 
1 1 1   18   21    2 o   42.120   11.776   1.9536   3.4733   7.0202   5.8067  -0.8691   4.3341   52.189   18.725   32.050   14.285 20.13914 23.55225 
1 1 1   18   21    3 o   49.061   12.434   5.9905   3.4823   5.7196   6.1895   6.1159   4.2123   49.611   19.033   48.510   16.005 1.101246 24.86807 
1 1 1   18   21    4 o   79.740   11.030   15.729   3.7189   20.740   6.8185   13.607   4.4369   87.194   17.343   72.287   13.634 14.90740 22.06000 
1 1 1   18   21    5 o  104.367   15.419   29.461   7.0278   23.278   8.6213   41.705   12.133   89.610   20.960  119.125   22.621 -29.51465 30.83819 
1 1 1   18   21    6 o   69.342   13.837   13.730   4.6299   13.575   7.3469   13.832   5.9630   68.241   20.991   70.443   18.035 -2.201584 27.67456 
1 1 1   18   21    7 o   71.631   11.180   14.054   3.2633   12.563   6.5890   14.538   3.7564   66.326   19.770   76.936   10.447 -10.60983 22.36024 
1 1 1   18   21    8 o   95.237   11.371   16.963   4.2066   41.549   9.7216   11.299   4.6660  125.626   16.558   64.848   15.589 60.77848 22.74156 
1 1 1   18   21    9 o  211.426   25.659  165.777   22.087  147.147   38.046  175.248   27.127  178.357   45.497  244.495   23.740 -66.13780 51.31853 
1 1 1   18   21   10 o  111.433   15.735   37.841   7.6220   28.678   12.607   43.121   9.5690   94.078   27.159  128.788   15.898 -34.70973 31.47038 
1 1 1   18   21   11 o   68.185   14.180   13.028   4.9347   17.037   7.1988   9.4750   6.7776   77.510   19.801   58.861   20.302 18.64945 28.35940 
1 1 1   18   21   12 o  131.682   12.497   46.251   7.6776   44.445   10.995   47.969   10.726  128.590   18.296  134.774   17.028 -6.183929 24.99381 
1 1 1   18   21   13 o  231.898   17.772  162.681   19.087  143.470   27.035  181.773   26.951  214.124   27.016  249.673   23.097 -35.54950 35.54365 
1 1 1   18   21   14 f  139.391   11.951   51.575   7.7549   58.111   11.384   45.917   10.593  148.039   16.455  130.743   17.336 17.29601 23.90153 
1 1 1   18   21   15 o   65.662   12.904   13.054   4.7115   4.3223   7.4861   18.781   6.0628   48.294   20.084   83.030   16.206 -34.73611 25.80704 
1 1 1   18   21   16 o   53.829   13.665   7.7022   4.2230   9.5095   7.1189   6.7209   5.2457   57.489   20.722   50.169   17.819 7.320515 27.32994 
1 1 1   18   21   17 o   56.908   13.916   9.2303   4.3849   10.088   7.3167   8.7499   5.4775   58.424   21.013   55.392   18.250 3.032063 27.83185 
1 1 1   18   21   18 o   76.992   14.072   17.737   4.9965   18.083   8.2111   17.533   6.2963   75.645   21.942   78.339   17.624 -2.693924 28.14395 
1 1 1   18   21   19 o   79.236   13.976   19.805   5.2669   14.568   8.3860   23.216   6.7683   67.115   22.593   91.358   16.458 -24.24309 27.95184 
1 1 1   18   21   20 o   53.696   13.854   8.0471   4.3562   9.2812   7.4457   7.4048   5.3715   56.055   21.019   51.337   18.053 4.717617 27.70759 
1 1 1   18   21   21 f   72.436   14.881   16.282   5.3295   20.174   8.1723   13.402   7.0301   79.591   21.474   65.281   20.606 14.31013 29.76180 
1 1 1   18   21   22 o   46.361   13.441   4.7455   4.7269   2.5788   7.0988   6.4715   6.3358   43.452   18.856   49.270   19.160 -5.817741 26.88221 
1 1 1   18   21   23 o   45.731   14.049   2.1048   5.1311   8.4613   9.4638  -0.5417   6.1066   54.596   22.633   36.867   16.651 17.72860 28.09813 
1 1 1   18   21   24 o   44.680   13.744   3.1032   5.2127  -0.0006   9.6034   4.3996   6.2066   44.431   20.379   44.929   18.447 -0.4978523 27.48818 
1 1 1   18   21   25 o   63.118   15.542   12.121   6.0482   5.3283   8.0684   20.834   9.1381   48.561   20.563   77.675   23.311 -29.11383 31.08481 
1 1 1   18   21   26 o   56.558   13.250   9.3235   4.9882  -0.1562   7.5454   16.683   6.6483   40.046   18.252   73.069   19.213 -33.02309 26.50093 
1 1 1   18   21   27 o   67.756   14.840   15.231   5.1639   19.009   7.9785   12.507   6.7742   74.311   21.651   61.201   20.301 13.10984 29.68002 
1 1 1   18   21   28 o   56.530   14.462   10.666   4.9192   12.223   7.1689   9.2801   6.7625   59.607   20.862   53.453   20.034 6.153801 28.92348 
1 1 1   18   22    0 o  214.917   27.669  149.260   35.445  149.260   35.445  149.260   35.445  214.917   39.130  214.917   39.130 -0.000000 0.000000 
1 1 1   18   22    1 o   90.641   13.832   23.259   5.7006   26.651   8.0524   19.851   8.0713   98.568   18.149   82.714   20.878 15.85403 27.66336 
1 1 1   18   22    2 o   59.435   12.098   9.8628   3.5984   7.7551   5.5671   11.375   4.7160   53.898   18.407   64.972   15.705 -11.07344 24.19646 
1 1 1   18   22    3 o  124.486   8.6376   37.966   4.9595   47.665   7.5949   30.756   6.5484  138.374   11.744  110.598   12.669 27.77544 17.27518 
1 1 1   18   22    4 o   54.611   11.476   8.3967   3.2059   5.5587   5.5373   9.8277   3.9319   48.274   18.122   60.948   14.086 -12.67393 22.95235 
1 1 1   18   22    5 o   61.546   10.796   9.3495   3.2421   16.287   5.1779   4.8756   4.1581   78.508   14.651   44.585   15.862 33.92305 21.59283 
1 1 1   18   22    6 o   75.655   14.885   16.593   5.0429   16.238   5.8468   17.625   9.9653   76.959   16.733   74.351   24.621 2.608177 29.76919 
1 1 1   18   22    7 o   83.255   13.337   18.069   4.4680   22.727   9.4292   16.721   5.0737   85.664   23.047   80.845   13.428 4.818817 26.67406 
1 1 1   18   22    8 o   46.119   12.547   2.7579   2.5706   10.609   7.8424   1.8128   2.7209   60.262   21.745   31.976   12.523 28.28602 25.09317 
1 1 1   18   22    9 o   58.969   14.663   10.244   5.0227   8.0937   8.5918   11.360   6.1907   55.565   22.097   62.374   19.282 -6.809109 29.32692 
1 1 1   18   22   10 o  125.651   14.694   43.200   8.2196   57.236   14.546   36.615   9.9627  137.228   22.681  114.074   18.687 23.15419 29.38762 
1 1 1   18   22   11 o   86.370   13.310   21.297   5.4467   30.916   8.0951   13.340   7.3626  106.896   16.204   65.843   21.120 41.05257 26.62017 
1 1 1   18   22   12 o   51.343   14.324   6.1086   4.8552   4.2878   5.9795   9.6325   8.3184   45.182   18.273   57.503   22.064 -12.32130 28.64813 
1 1 1   18   22   13 o   47.483   13.593   3.8245   4.8050  -0.0312   6.2797   9.2705   7.4631   38.524   17.182   56.442   21.067 -17.91779 27.18523 
1 1 1   18   22   14 o  122.602   12.193   41.499   6.9622   45.333   10.386   38.370   9.3820  127.498   17.431  117.705   17.055 9.792419 24.38692 
1 1 1   18   22   15 o   73.178   13.832   15.811   4.7625   18.788   7.4988   13.798   6.1656   78.309   20.316   68.046   18.776 10.26293 27.66323 
1 1 1   18   22   16 o  100.609   13.672   30.496   6.1709   24.350   9.1900   35.543   8.3276   86.850   22.470  114.368   15.580 -27.51790 27.34332 
1 1 1   18   22   17 o   47.964   13.284   5.8338   4.2156   5.8741   7.1193   5.8120   5.2313   48.944   19.887   46.984   17.618 1.960026 26.56884 
1 1 1   18   22   18 o   55.022   12.988   6.3227   4.2545   16.928   7.2567   0.7682   5.2518   73.370   20.416   36.675   16.061 36.69516 25.97607 
1 1 1   18   22   19 o   77.607   13.295   19.825   5.3770   9.3202   8.4746   26.904   6.9566   55.587   21.996   99.628   14.941 -44.04123 26.59047 
1 1 1   18   22   20 o   62.243   13.923   12.369   4.6703   9.3869   7.5404   14.226   5.9488   55.539   21.079   68.947   18.196 -13.40872 27.84652 
1 1 1   18   22   21 o   64.099   14.129   13.037   4.7001   12.068   7.2740   13.731   6.1584   61.204   21.037   66.995   18.866 -5.790951 28.25761 
1 1 1   18   22   22 o   44.958   13.436   2.9101   4.5803   8.5335   8.1573   0.3208   5.5352   53.511   21.447   36.404   16.191 17.10749 26.87200 
1 1 1   18   22   23 o   44.509   13.373   4.0357   4.9516   0.0001   8.5103   6.1011   6.0883   41.720   19.153   47.298   18.667 -5.578739 26.74505 
1 1 1   18   22   24 o   51.465   14.103   8.2148   4.8232   8.4276   7.2327   8.0445   6.4725   51.869   20.385   51.061   19.494 0.8079910 28.20576 
1 1 1   18   22   25 o   40.280   12.535   1.9179   4.6581  -0.7776   7.1360   3.9192   6.1487   37.867   17.441   42.694   18.008 -4.827175 25.06958 
1 1 1   18   23    0 o  108.806   13.194   32.498   8.6508   32.498   8.6508   32.498   8.6508  108.806   18.659  108.806   18.659 -0.000000 0.000000 
1 1 1   18   23    1 o   85.422   10.878   19.591   4.2041   24.531   6.2384   15.480   5.6904   96.852   13.782   73.991   16.835 22.86121 21.75689 
1 1 1   18   23    2 o  207.695   9.9386  110.358   9.5051  139.924   14.751   89.367   12.429  231.551   13.631  183.840   14.467 47.71147 19.87718 
1 1 1   18   23    3 o   90.638   9.5034   20.046   3.7669   25.434   6.9022   17.760   4.4954   97.510   15.146   83.765   11.483 13.74567 19.00679 
1 1 1   18   23    4 o  141.196   8.1623   48.647   5.2805   63.971   8.3979   38.626   6.7910  159.145   11.291  123.247   11.790 35.89777 16.32460 
1 1 1   18   23    5 f   73.032   10.327   14.055   3.2922   16.271   5.5293   12.838   4.0977   76.472   15.986   69.592   13.079 6.880096 20.65468 
1 1 1   18   23    6 o   89.460   17.393   26.929   7.4771   28.575   11.072   25.549   10.138   91.390   25.137   87.530   24.045 3.859650 34.78537 
1 1 1   18   23    7 o   41.510   18.547   0.5168   7.3541   0.5168   7.3541   0.0000   0.0000   41.510   18.547  ?   ?       ?      ? 
1 1 1   18   23    8 o   59.652   13.739   10.670   4.1460   9.8491   8.4672   10.929   4.7550   57.256   22.182   62.047   16.217 -4.790195 27.47799 
1 1 1   18   23    9 o   49.879   13.408   6.1293   4.9229   10.690   6.1412  -2.0706   8.2344   59.509   19.310   40.249   18.608 19.26036 26.81679 
1 1 1   18   23   10 o   77.269   12.192   17.285   4.0814   16.359   7.4076   17.689   4.8907   71.956   20.832   82.582   12.672 -10.62569 24.38371 
1 1 1   18   23   11 o   67.467   13.639   14.405   4.9800   7.5360   7.4448   19.967   6.6995   52.194   20.628   82.741   17.850 -30.54731 27.27869 
1 1 1   18   23   12 o  109.073   13.475   35.301   6.6298   31.970   9.7286   38.188   9.0590  101.152   21.255  116.994   16.568 -15.84205 26.94944 
1 1 1   18   23   13 o   98.516   13.806   29.820   6.1377   23.420   9.1374   35.081   8.2851   84.027   22.722  113.004   15.688 -28.97670 27.61150 
1 1 1   18   23   14 o   57.714   13.772   10.096   4.3728   11.178   6.6775   9.2831   5.7860   59.790   20.161   55.639   18.767 4.151035 27.54330 
1 1 1   18   23   15 o   69.911   13.535   14.776   4.5202   16.665   6.9084   13.361   5.9773   73.352   19.724   66.471   18.541 6.880737 27.07042 
1 1 1   18   23   16 o   74.328   13.352   17.224   4.7637   13.052   7.0978   20.642   6.4258   63.769   20.763   84.888   16.792 -21.11928 26.70339 
1 1 1   18   23   17 o   43.781   12.501   4.3732   3.9616   2.6614   6.4794   5.3952   5.0065   42.166   18.156   45.396   17.189 -3.229630 25.00181 
1 1 1   18   23   18 o   74.177   13.818   17.040   4.8076   19.139   7.4568   15.548   6.2892   77.301   20.359   71.054   18.689 6.246826 27.63615 
1 1 1   18   23   19 o   57.899   12.601   10.974   4.3961   2.9635   7.3433   15.448   5.4881   43.355   18.989   72.442   16.570 -29.08682 25.20174 
1 1 1   18   23   20 o   35.383   11.208   0.4142   3.6921  -1.9290   6.7047   1.4339   4.4231   35.777   16.627   34.989   15.032 0.7878265 22.41506 
1 1 1   18   23   21 o   37.598   12.080   0.3230   4.4498  -5.4023   9.0181   2.1656   5.1160   37.344   17.914   37.852   16.212 -0.5081558 24.16077 
1 1 1   18   24    0 o   46.792   13.998   7.9805   4.3793   7.9805   4.3793   7.9805   4.3793   46.792   19.796   46.792   19.796 -0.000000 0.000000 
1 1 1   18   24    1 o   84.609   8.3355   18.099   3.2684   20.908   5.0300   16.046   4.2999   90.097   11.946   79.121   11.628 10.97633 16.67092 
1 1 1   18   24    2 o   54.375   11.136   8.5230   3.0097   7.3808   4.6679   9.3357   3.9374   50.829   16.852   57.920   14.562 -7.090881 22.27164 
1 1 1   18   24    3 o   84.142   10.370   20.741   3.6296   14.528   6.0061   24.315   4.5555   69.675   18.233   98.609   9.8851 -28.93407 20.74065 
1 1 1   18   24    4 o   57.572   10.937   9.0919   2.8982   10.566   4.9359   8.3163   3.5805   60.187   16.870   54.958   13.924 5.228455 21.87371 
1 1 1   18   24    5 o   46.685   11.207   5.6378   2.6334   6.7149   5.3619   5.2954   3.0231   49.107   17.940   44.264   13.436 4.842987 22.41385 
1 1 1   18   24    6 o   74.942   11.733   12.236   3.2920   24.562   7.9004   9.6459   3.6214   90.257   19.313   59.627   13.330 30.62999 23.46666 
1 1 1   18   24    7 o  102.556   9.2719   25.918   3.9548   31.635   7.8240   23.956   4.5835  107.338   15.597   97.774   10.031 9.563072 18.54378 
1 1 1   18   24    8 o  138.602   12.429   54.850   8.0369   58.975   11.545   50.972   11.195  144.304   17.119  132.901   18.024 11.40381 24.85780 
1 1 1   18   24    9 o   61.994   12.497   11.572   4.5049   3.1269   6.6603   18.693   6.1161   43.345   18.529   80.644   16.774 -37.29938 24.99400 
1 1 1   18   24   10 f   79.660   11.986   17.465   4.2418   23.421   6.9711   13.963   5.3452   89.976   17.205   69.344   16.694 20.63227 23.97299 
1 1 1   18   24   11 o   34.952   10.512   0.0859   2.5916   5.1403   5.4494  -1.3914   2.9461   45.154   17.711   24.749   11.328 20.40472 21.02395 
1 1 1   18   24   12 o   72.930   13.783   17.043   5.0021   11.891   7.1726   21.921   6.9794   60.165   20.878   85.695   18.000 -25.53045 27.56565 
1 1 1   18   24   13 o   47.713   13.219   5.8912   4.3041   8.9144   6.5964   3.6497   5.6798   53.422   19.833   42.004   17.484 11.41748 26.43871 
1 1 1   18   24   14 o  108.370   13.380   35.691   6.4241   49.071   9.4797   24.329   8.7358  132.187   15.345   84.554   21.923 47.63214 26.76014 
1 1 1   18   24   15 o   57.275   15.064   11.136   5.1392   10.197   10.874   11.406   5.8316   54.889   23.575   59.661   18.759 -4.772026 30.12793 
1 1 1   18   24   16 o   95.922   14.123   30.498   6.1796   23.000   9.3353   36.346   8.2445   78.832   23.540  113.012   15.610 -34.17948 28.24500 
1 1 1   18   25    0 o   87.119   7.8303   19.424   4.3101   19.424   4.3101   19.424   4.3101   87.119   11.074   87.119   11.074 -0.000000 0.000000 
1 1 1   18   25    1 o   75.441   9.0352   15.251   3.0332   15.422   4.8196   15.140   3.9031   74.177   14.422   76.706   10.888 -2.529854 18.07034 
1 1 1   18   25    2 o   77.356   8.9256   15.541   3.1782   18.005   5.0542   13.929   4.0875   81.873   13.209   72.838   12.008 9.034843 17.85113 
1 1 1   18   25    3 o   96.414   8.2201   23.674   3.6433   27.587   5.8266   21.162   4.6685  102.299   12.187   90.530   11.034 11.76955 16.44026 
1 1 1   18   25    4 o   76.644   11.158   16.388   3.5386   18.103   6.7801   15.746   4.1485   75.482   19.180   77.806   11.409 -2.324234 22.31689 
1 1 1   18   25    5 o   72.524   11.965   9.9449   3.1992   29.194   8.3627   6.6448   3.4626   96.741   19.174   48.307   14.316 48.43408 23.92930 
1 1 1   18   25    6 o   87.003   11.588   22.473   3.9414   20.841   7.7680   23.039   4.5738   79.066   20.758   94.939   10.308 -15.87342 23.17656 
1 1 1   18   25    7 o  130.687   9.2325   43.212   5.2088   53.736   9.7168   38.969   6.1702  138.387   15.024  122.988   10.735 15.39921 18.46498 
1 1 1   18   25    8 o   45.515   11.390   5.6511   2.6846   5.8960   6.0210   5.5903   2.9993   46.276   18.468   44.754   13.338 1.521423 22.78074 
1 1 1   19    0    1 o  129.405   8.9372   40.672   7.4764   40.672   7.4764   40.672   7.4764  129.405   12.639  129.405   12.639 -0.000000 0.000000 
1 1 1   19    0    2 o  289.808   17.056  208.317   32.150  208.317   32.150  208.317   32.150  289.808   24.121  289.808   24.121 -0.000000 0.000000 
1 1 1   19    0    3 o  459.652   28.214  559.733   84.229  559.733   84.229  559.733   84.229  459.652   39.901  459.652   39.901 -0.000000 0.000000 
1 1 1   19    0    4 o  272.931   12.435  180.055   22.218  180.055   22.218  180.055   22.218  272.931   17.586  272.931   17.586 -0.000000 0.000000 
1 1 1   19    0    5 o  140.154   8.9263   47.521   8.1144   47.521   8.1144   47.521   8.1144  140.154   12.624  140.154   12.624 -0.000000 0.000000 
1 1 1   19    0    6 o   99.429   7.9563   24.177   5.0559   24.177   5.0559   24.177   5.0559   99.429   11.252   99.429   11.252 -0.000000 0.000000 
1 1 1   19    0    7 o  302.924   11.625  220.575   23.118  220.575   23.118  220.575   23.118  302.924   16.441  302.924   16.441 -0.000000 0.000000 
1 1 1   19    0    8 o  239.697   9.8544  137.572   15.491  137.572   15.491  137.572   15.491  239.697   13.936  239.697   13.936 -0.000000 0.000000 
1 1 1   19    0    9 o  401.258   14.273  391.063   37.635  391.063   37.635  391.063   37.635  401.258   20.186  401.258   20.186 -0.000000 0.000000 
1 1 1   19    0   10 o  276.430   10.731  183.546   19.471  183.546   19.471  183.546   19.471  276.430   15.176  276.430   15.176 -0.000000 0.000000 
1 1 1   19    0   11 o  413.247   19.459  430.227   52.607  430.227   52.607  430.227   52.607  413.247   27.519  413.247   27.519 -0.000000 0.000000 
1 1 1   19    0   12 o  150.955   12.454   56.775   11.984   56.775   11.984   56.775   11.984  150.955   17.613  150.955   17.613 -0.000000 0.000000 
1 1 1   19    0   13 o   84.837   16.258   20.720   7.8796   20.720   7.8796   20.720   7.8796   84.837   22.992   84.837   22.992 -0.000000 0.000000 
1 1 1   19    0   14 o   69.688   17.526   15.474   7.3561   15.474   7.3561   15.474   7.3561   69.688   24.785   69.688   24.785 -0.000000 0.000000 
1 1 1   19    0   15 o  194.827   10.901   92.121   13.835   92.121   13.835   92.121   13.835  194.827   15.417  194.827   15.417 -0.000000 0.000000 
1 1 1   19    0   16 o   62.885   13.351   11.636   4.8356   11.636   4.8356   11.636   4.8356   62.885   18.881   62.885   18.881 -0.000000 0.000000 
1 1 1   19    0   17 o   22.632   10.432  -0.2809   3.7933  -0.2809   3.7933  -0.2809   3.7933   22.632   14.753   22.632   14.753 -0.000000 0.000000 
1 1 1   19    0   18 o  165.478   9.5574   66.294   10.293   66.294   10.293   66.294   10.293  165.478   13.516  165.478   13.516 -0.000000 0.000000 
1 1 1   19    0   19 o  126.224   9.0368   38.924   7.3618   38.924   7.3618   38.924   7.3618  126.224   12.780  126.224   12.780 -0.000000 0.000000 
1 1 1   19    0   20 o  275.990   13.741  187.258   24.779  187.258   24.779  187.258   24.779  275.990   19.432  275.990   19.432 -0.000000 0.000000 
1 1 1   19    0   21 o   98.487   12.403   25.306   7.3103   25.306   7.3103   25.306   7.3103   98.487   17.540   98.487   17.540 -0.000000 0.000000 
1 1 1   19    0   22 o   41.752   14.781   6.2720   4.9881   6.2720   4.9881   6.2720   4.9881   41.752   20.903   41.752   20.903 -0.000000 0.000000 
1 1 1   19    0   23 o  142.125   17.572   53.955   14.996   53.955   14.996   53.955   14.996  142.125   24.850  142.125   24.850 -0.000000 0.000000 
1 1 1   19    0   24 o  164.464   12.276   67.332   13.004   67.332   13.004   67.332   13.004  164.464   17.361  164.464   17.361 -0.000000 0.000000 
1 1 1   19    0   25 o   69.488   13.021   13.737   5.1668   13.737   5.1668   13.737   5.1668   69.488   18.415   69.488   18.415 -0.000000 0.000000 
1 1 1   19    0   26 o   14.093   7.1923  -6.2487   3.4210  -6.2487   3.4210  -6.2487   3.4210   14.093   10.172   14.093   10.172 -0.000000 0.000000 
1 1 1   19    0   27 o   27.974   12.042   1.8327   4.1786   1.8327   4.1786   1.8327   4.1786   27.974   17.030   27.974   17.030 -0.000000 0.000000 
1 1 1   19    0   28 o   75.267   12.837   15.758   5.5368   15.758   5.5368   15.758   5.5368   75.267   18.154   75.267   18.154 -0.000000 0.000000 
1 1 1   19    0   29 o  135.789   9.9648   45.549   8.7226   45.549   8.7226   45.549   8.7226  135.789   14.092  135.789   14.092 -0.000000 0.000000 
1 1 1   19    0   30 o   45.040   17.854   7.2779   8.0029   7.2779   8.0029   7.2779   8.0029   45.040   25.249   45.040   25.249 -0.000000 0.000000 
1 1 1   19    0   31 o   19.544   9.4889  -2.5554   3.9682  -2.5554   3.9682  -2.5554   3.9682   19.544   13.419   19.544   13.419 -0.000000 0.000000 
1 1 1   19    0   32 f   57.877   14.840   10.877   5.2143   10.877   5.2143   10.877   5.2143   57.877   20.987   57.877   20.987 -0.000000 0.000000 
1 1 1   19    0   33 o   67.907   13.362   13.480   5.1882   13.480   5.1882   13.480   5.1882   67.907   18.897   67.907   18.897 -0.000000 0.000000 
1 1 1   19    0   34 o   60.889   14.431   11.629   5.1832   11.629   5.1832   11.629   5.1832   60.889   20.409   60.889   20.409 -0.000000 0.000000 
1 1 1   19    0   35 o  136.393   10.452   46.544   9.1421   46.544   9.1421   46.544   9.1421  136.393   14.782  136.393   14.782 -0.000000 0.000000 
1 1 1   19    0   36 o   80.676   12.421   17.910   5.8031   17.910   5.8031   17.910   5.8031   80.676   17.566   80.676   17.566 -0.000000 0.000000 
1 1 1   19    0   37 o   81.383   12.093   18.175   5.7274   18.175   5.7274   18.175   5.7274   81.383   17.102   81.383   17.102 -0.000000 0.000000 
1 1 1   19    0   38 o  124.664   10.887   39.792   8.6027   39.792   8.6027   39.792   8.6027  124.664   15.396  124.664   15.396 -0.000000 0.000000 
1 1 1   19    0   39 f   37.513   14.797   5.1480   5.4645   5.1480   5.4645   5.1480   5.4645   37.513   20.926   37.513   20.926 -0.000000 0.000000 
1 1 1   19    0   40 o   31.878   13.083   3.4297   4.5148   3.4297   4.5148   3.4297   4.5148   31.878   18.502   31.878   18.502 -0.000000 0.000000 
1 1 1   19    0   41 o   20.881   10.007  -1.6175   4.1145  -1.6175   4.1145  -1.6175   4.1145   20.881   14.151   20.881   14.151 -0.000000 0.000000 
1 1 1   19    0   42 o  181.331   14.691   89.752   17.009   89.752   17.009   89.752   17.009  181.331   20.777  181.331   20.777 -0.000000 0.000000 
1 1 1   19    0   43 o   48.549   18.646   10.377   8.4271   10.377   8.4271   10.377   8.4271   48.549   26.369   48.549   26.369 -0.000000 0.000000 
1 1 1   19    0   44 o   60.139   19.638   15.159   8.5976   15.159   8.5976   15.159   8.5976   60.139   27.772   60.139   27.772 -0.000000 0.000000 
1 1 1   19    0   45 o   24.890   11.416   0.5012   4.4669   0.5012   4.4669   0.5012   4.4669   24.890   16.144   24.890   16.144 -0.000000 0.000000 
1 1 1   19    0   46 o  118.933   10.618   37.538   7.9849   37.538   7.9849   37.538   7.9849  118.933   15.016  118.933   15.016 -0.000000 0.000000 
1 1 1   19    1    0 o  183.861   20.807   89.044   23.343   89.044   23.343   89.044   23.343  183.861   29.425  183.861   29.425 -0.000000 0.000000 
1 1 1   19    1    1 o  101.663   10.576   25.664   4.6634   26.809   5.8722   23.711   7.6734  106.037   11.849   97.288   17.521 8.749657 21.15181 
1 1 1   19    1    2 o   60.283   11.882   7.4976   3.0987   5.7593   3.5398   13.197   6.4095   48.559   14.494   72.006   18.832 -23.44720 23.76395 
1 1 1   19    1    3 o  175.854   11.640   68.324   8.0867   62.963   9.0973   88.512   17.654  162.468   11.981  189.239   19.961 -26.77136 23.28097 
1 1 1   19    1    4 o  198.279   9.8525   95.106   9.0172   78.212   12.726  112.141   12.779  179.983   15.129  216.574   12.625 -36.59105 19.70507 
1 1 1   19    1    5 o  224.327   10.893  121.724   11.409  115.885   16.131  127.570   16.140  218.756   15.778  229.897   15.022 -11.14160 21.78556 
1 1 1   19    1    6 o  126.949   8.0365   38.261   4.7505   39.671   7.0759   37.104   6.4099  128.993   11.737  124.905   10.981 4.088608 16.07302 
1 1 1   19    1    7 o   91.155   7.9047   20.024   3.2836   14.869   4.6036   25.363   4.6849   78.852   12.492  103.458   9.6894 -24.60515 15.80944 
1 1 1   19    1    8 o   92.245   7.5226   20.350   3.2211   18.006   4.6143   22.577   4.4986   86.923   11.359   97.566   9.8660 -10.64281 15.04524 
1 1 1   19    1    9 o  106.420   8.1448   26.556   3.9553   29.161   6.4373   24.976   5.0132  110.347   12.483  102.493   10.466 7.854462 16.28955 
1 1 1   19    1   10 o  137.516   8.5045   45.487   5.3266   44.206   8.4724   46.325   6.8496  135.520   13.377  139.513   10.505 -3.992645 17.00896 
1 1 1   19    1   11 o  212.342   9.5045  106.485   9.3339  126.424   14.491   92.346   12.202  228.932   13.544  195.753   13.338 33.17938 19.00907 
1 1 1   19    1   12 o  161.583   10.789   63.211   7.8360   64.946   13.048   62.232   9.8000  162.428   17.189  160.736   13.046 1.691925 21.57891 
1 1 1   19    1   13 o  184.851   11.407   84.088   9.6208   86.012   12.441   81.225   15.175  188.470   14.124  181.232   17.916 7.238892 22.81400 
1 1 1   19    1   14 o  107.466   10.957   28.169   5.3507   28.288   6.8340   27.980   8.6014  108.288   13.504  106.643   17.258 1.645668 21.91331 
1 1 1   19    1   15 o  104.039   12.907   29.101   5.7094   34.452   7.2764   20.530   9.2095  119.691   13.008   88.386   22.297 31.30487 25.81395 
1 1 1   19    1   16 o  259.152   13.940  166.182   16.544  161.475   21.265  173.397   26.331  256.051   17.771  262.253   21.484 -6.201630 27.88083 
1 1 1   19    1   17 o  167.089   9.6215   67.349   7.5133   66.963   10.601   67.738   10.649  166.605   13.616  167.573   13.598 -0.9678802 19.24306 
1 1 1   19    1   18 o  103.437   9.4182   25.918   4.5109   30.129   6.4238   21.821   6.3358  112.007   12.272   94.866   14.291 17.14061 18.83646 
1 1 1   19    1   19 o   98.213   9.5670   23.341   4.3911   23.109   6.1947   23.574   6.2254   97.715   13.565   98.711   13.494 -0.9963913 19.13399 
1 1 1   19    1   20 o  130.819   10.109   42.822   5.9656   35.644   9.2048   48.021   7.8334  120.283   16.375  141.355   11.858 -21.07250 20.21709 
1 1 1   19    1   21 o   93.956   10.763   22.666   4.4341   17.832   6.7309   26.372   5.8937   83.251   17.837  104.660   12.049 -21.40961 21.52527 
1 1 1   19    1   22 o  101.302   13.405   26.546   5.9644   27.539   7.5411   24.888   9.7471  105.954   15.229   96.651   22.064 9.303024 26.80980 
1 1 1   19    1   23 o  112.405   12.953   31.275   6.1042   30.001   7.2924   34.259   11.157  110.919   14.068  113.890   21.754 -2.970726 25.90668 
1 1 1   19    1   24 o   97.928   11.290   23.685   5.1620   23.374   7.1285   24.028   7.4849   97.352   15.668   98.505   16.259 -1.152748 22.57938 
1 1 1   19    1   25 o  165.347   10.974   67.320   8.3577   68.441   12.989   66.528   10.918  165.784   16.765  164.911   14.166 0.8736115 21.94844 
1 1 1   19    1   26 o   80.131   10.906   16.396   3.9617   19.412   5.4802   13.095   5.7337   89.293   13.132   70.968   17.417 18.32491 21.81293 
1 1 1   19    1   27 o   58.783   13.409   8.8489   4.0949   7.3708   7.2487   9.5417   4.9626   56.801   20.843   60.765   16.874 -3.963623 26.81722 
1 1 1   19    1   28 o  112.994   11.741   32.763   5.7278   30.533   9.4913   34.040   7.1834  107.861   19.548  118.128   13.012 -10.26656 23.48278 
1 1 1   19    1   29 o   86.003   12.878   20.609   4.8237   23.531   5.9118   14.788   8.3438   98.195   12.882   73.811   22.303 24.38380 25.75601 
1 1 1   19    1   30 o   60.457   11.661   9.5381   3.4551   11.732   4.7941   7.1671   4.9839   67.429   15.533   53.485   17.398 13.94379 23.32269 
1 1 1   19    1   31 o   61.862   13.630   10.195   4.2588   8.5124   7.6503   10.950   5.1267   59.119   21.455   64.606   16.816 -5.487663 27.25978 
1 1 1   19    1   32 o   85.469   10.473   18.616   4.0660   20.621   5.7073   16.549   5.7940   91.285   13.378   79.653   16.118 11.63238 20.94642 
1 1 1   19    1   33 o   65.113   11.857   11.343   3.7048   14.032   5.1462   8.4492   5.3377   73.404   15.488   56.823   17.957 16.58025 23.71405 
1 1 1   19    1   34 o   39.230   11.042   2.1623   3.1261   0.1830   4.4727   4.0525   4.3710   34.945   15.065   43.516   16.146 -8.570435 22.08327 
1 1 1   19    1   35 o   79.157   11.039   16.282   3.9882   19.321   5.6148   13.187   5.6659   88.097   13.637   70.217   17.363 17.88002 22.07837 
1 1 1   19    1   36 o   55.376   11.626   7.9899   3.3861   4.8323   4.7777   11.177   4.7997   45.958   16.913   64.794   15.956 -18.83564 23.25163 
1 1 1   19    1   37 o   57.248   11.940   8.6216   3.5450   12.296   5.2216   5.4796   4.8283   67.167   16.704   47.329   17.065 19.83769 23.87966 
1 1 1   19    1   38 o   38.033   11.892   0.0616   3.6851  -0.1233   4.2718   0.5993   7.2857   33.158   14.504   42.907   18.850 -9.749474 23.78404 
1 1 1   19    1   39 o   63.103   18.348   11.046   5.7349   11.046   5.7349   0.0000   0.0000   63.103   18.348  ?   ?       ?      ? 
1 1 1   19    1   40 o   57.037   17.828   9.0759   5.2759   9.0759   5.2759   0.0000   0.0000   57.037   17.828  ?   ?       ?      ? 
1 1 1   19    1   41 f   55.275   13.886   8.4708   4.3442   7.7274   5.3668   9.8834   7.3983   52.608   18.070   57.942   21.088 -5.334278 27.77116 
1 1 1   19    1   42 o   46.372   10.887   5.0963   3.1527   9.5931   4.4345   0.5010   4.4829   58.425   15.842   34.320   14.939 24.10416 21.77453 
1 1 1   19    1   43 o   56.405   11.228   8.5087   3.4954   14.908   5.1322   2.9718   4.7738   73.044   15.513   39.766   16.236 33.27793 22.45559 
1 1 1   19    1   44 o   69.253   11.802   13.943   3.8329   17.129   5.4297   10.779   5.4114   78.402   15.368   60.105   17.916 18.29628 23.60454 
1 1 1   19    1   45 f   62.950   14.730   12.670   4.9056   13.530   8.4024   12.225   6.0423   63.041   22.535   62.858   18.976 0.1829758 29.46063 
1 1 1   19    1   46 o   44.847   11.495   4.8701   3.8221  -3.7145   6.3915   9.6487   4.7686   33.187   15.679   56.508   16.813 -23.32043 22.98936 
1 1 1   19    2    0 o   62.735   12.441   11.270   4.4648   11.270   4.4648   11.270   4.4648   62.735   17.595   62.735   17.595 -0.000000 0.000000 
1 1 1   19    2    1 o  138.146   9.1216   45.952   5.8485   49.154   8.0152   42.305   8.5529  143.557   11.947  132.736   13.787 10.82195 18.24323 
1 1 1   19    2    2 o  246.188   11.858  147.411   13.643  147.805   19.249  147.012   19.339  246.555   16.705  245.820   16.833 0.7356262 23.71548 
1 1 1   19    2    3 o  262.990   13.215  169.848   16.239  174.208   22.997  165.511   22.934  266.510   18.464  259.470   18.912 7.039185 26.43069 
1 1 1   19    2    4 o  176.989   10.774   78.406   8.5271   88.744   11.100   63.519   13.320  192.750   12.322  161.229   17.677 31.52153 21.54794 
1 1 1   19    2    5 o  177.604   10.657   80.257   8.0561   87.928   9.8851   65.086   13.902  192.272   11.001  162.936   18.256 29.33591 21.31463 
1 1 1   19    2    6 o  174.279   10.212   74.034   8.1005   77.433   10.495   69.023   12.741  179.954   12.479  168.604   16.169 11.34950 20.42456 
1 1 1   19    2    7 o  221.774   11.587  117.640   11.824  130.994   18.772  108.856   15.224  231.503   17.350  212.045   15.362 19.45757 23.17368 
1 1 1   19    2    8 o  183.924   10.398   80.223   8.4569   86.498   14.756   77.153   10.320  188.269   16.770  179.580   12.296 8.689667 20.79542 
1 1 1   19    2    9 o  215.070   10.947  112.371   11.001  110.899   15.624  113.819   15.493  213.582   15.652  216.558   15.308 -2.976105 21.89342 
1 1 1   19    2   10 o  224.870   10.947  123.149   11.494  118.020   16.312  128.209   16.199  219.990   15.866  229.750   15.086 -9.759933 21.89329 
1 1 1   19    2   11 o   86.261   9.6725   19.224   3.5837   22.897   4.6872   14.055   5.5600   98.074   10.226   74.448   16.421 23.62619 19.34493 
1 1 1   19    2   12 o   75.589   10.652   14.383   3.6147   13.869   5.3752   14.807   4.8841   74.036   16.002   77.142   14.065 -3.105919 21.30460 
1 1 1   19    2   13 o  156.209   10.627   58.089   7.4820   64.120   12.579   54.787   9.3076  161.654   16.650  150.765   13.210 10.88943 21.25354 
1 1 1   19    2   14 o  107.480   9.2892   27.915   4.6464   26.023   6.7204   29.647   6.4310  103.801   13.853  111.158   12.379 -7.356323 18.57845 
1 1 1   19    2   15 o  140.688   10.200   48.001   6.5702   48.443   8.5132   47.350   10.332  141.996   12.828  139.380   15.861 2.616455 20.39969 
1 1 1   19    2   16 o  104.811   12.641   29.218   5.6225   33.875   7.1400   21.615   9.1220  118.726   12.868   90.896   21.762 27.83043 25.28190 
1 1 1   19    2   17 o  220.007   13.040  123.084   12.876  134.994   16.659  105.413   20.292  235.628   15.128  204.386   21.244 31.24210 26.08016 
1 1 1   19    2   18 o  124.104   10.746   37.885   5.9784   38.843   7.5344   36.258   9.8234  127.021   12.692  121.187   17.344 5.833519 21.49229 
1 1 1   19    2   19 f  130.279   10.649   43.658   6.1019   31.155   9.3489   52.937   8.0539  112.002   17.860  148.557   11.600 -36.55493 21.29709 
1 1 1   19    2   20 o  267.874   14.191  182.006   17.354  178.505   27.381  184.356   22.436  263.385   22.244  272.363   17.626 -8.978088 28.38121 
1 1 1   19    2   21 f  149.937   11.130   55.271   7.7990   55.388   11.017   55.153   11.042  150.113   15.704  149.760   15.776 0.3531342 22.25976 
1 1 1   19    2   22 o  160.863   9.8285   62.469   7.2692   60.160   9.3993   65.906   11.467  157.704   12.753  164.020   14.959 -6.316071 19.65695 
1 1 1   19    2   23 o   54.747   12.227   7.5422   3.5341   8.7017   4.5946   5.8622   5.5304   58.410   16.242   51.083   18.280 7.326191 24.45363 
1 1 1   19    2   24 o   96.043   10.333   22.587   4.6323   22.309   6.3797   22.898   6.7371   95.514   14.292   96.572   14.927 -1.057961 20.66591 
1 1 1   19    2   25 o   81.960   12.841   16.189   4.6987   11.901   5.8521   23.968   7.8822   67.589   18.145   96.332   18.174 -28.74283 25.68185 
1 1 1   19    2   26 o  110.755   13.209   32.715   6.3914   38.797   8.4981   24.796   9.6977  125.668   14.470   95.842   22.102 29.82593 26.41737 
1 1 1   19    2   27 o   64.222   13.308   10.027   3.9683   8.7787   4.7184   13.043   7.3355   58.415   16.536   70.029   20.856 -11.61391 26.61657 
1 1 1   19    2   28 o   39.013   10.549   2.6260   2.7376   1.2169   3.8808   4.0217   3.8623   35.287   14.549   42.740   15.278 -7.453693 21.09749 
1 1 1   19    2   29 o   45.412   13.577   0.8344   5.1964   4.7168   6.9989  -3.9344   7.7569   50.817   20.027   40.006   18.337 10.81086 27.15391 
1 1 1   19    2   30 o   86.601   13.066   19.989   4.9407   17.991   8.5673   20.985   6.0477   80.936   22.050   92.265   14.025 -11.32876 26.13269 
1 1 1   19    2   31 o   82.129   11.573   17.522   4.2854   16.700   6.0712   18.339   6.0498   79.965   16.781   84.293   15.941 -4.327934 23.14536 
1 1 1   19    2   32 o   59.664   11.902   9.2322   3.5606   6.3917   4.9133   12.374   5.1671   50.790   17.293   68.538   16.358 -17.74831 23.80414 
1 1 1   19    2   33 o  113.496   12.302   35.152   5.8385   39.294   7.3210   27.913   9.6775  126.439   12.389  100.553   21.258 25.88630 24.60488 
1 1 1   19    2   34 o  103.868   13.700   30.748   5.9783   34.946   7.3873   22.782   10.177  118.836   13.301   88.901   23.955 29.93532 27.39998 
1 1 1   19    2   35 o  194.112   12.592   97.582   11.375   86.307   15.572  110.483   16.657  181.527   18.356  206.697   17.243 -25.17072 25.18446 
1 1 1   19    2   36 o  110.298   13.121   32.884   6.1829   33.426   7.6352   31.851   10.538  114.994   14.207  105.601   22.064 9.392792 26.24216 
1 1 1   19    2   37 o  153.728   12.103   62.649   8.6850   60.994   11.944   64.507   12.651  151.884   16.827  155.572   17.400 -3.688110 24.20558 
1 1 1   19    2   38 o   74.587   15.815   15.856   5.2731   15.474   5.9092   17.347   11.683   75.252   17.180   73.922   26.557 1.330109 31.62964 
1 1 1   19    2   39 o   53.472   12.419   7.4794   3.4547   7.2770   4.2228   7.8891   6.0075   52.316   15.880   54.628   19.098 -2.311302 24.83776 
1 1 1   19    2   40 o   58.480   13.146   9.6912   4.3707   13.626   5.8795   4.8311   6.5344   69.268   17.998   47.691   19.167 21.57699 26.29262 
1 1 1   19    2   41 o   52.070   12.198   6.9198   3.5475   11.060   5.5444   4.0501   4.6160   61.725   18.067   42.416   16.393 19.30838 24.39588 
1 1 1   19    2   42 o   69.695   10.809   14.101   3.6116   19.659   4.9036   7.5102   5.3394   87.731   11.960   51.659   18.008 36.07152 21.61787 
1 1 1   19    2   43 o  103.187   9.8415   28.303   4.7309   30.513   6.6781   26.076   6.7029  107.814   13.254   98.560   14.552 9.253616 19.68294 
1 1 1   19    2   44 o  111.245   9.3070   33.087   4.7046   36.552   6.2485   28.552   7.1485  119.829   11.158  102.661   14.899 17.16818 18.61398 
1 1 1   19    2   45 o   84.330   11.188   20.017   4.3067   18.249   6.1187   21.754   6.0630   79.093   17.055   89.566   14.484 -10.47323 22.37551 
1 1 1   19    2   46 o   53.345   11.645   8.6954   3.2657   9.9810   4.2405   6.8214   5.1197   58.535   15.322   48.155   17.540 10.38053 23.28962 
1 1 1   19    3    0 o   70.955   9.0074   12.957   3.8192   12.957   3.8192   12.957   3.8192   70.955   12.738   70.955   12.738 -0.000000 0.000000 
1 1 1   19    3    1 o  144.583   7.4251   49.614   5.0148   47.496   7.0153   51.828   7.1713  141.403   10.616  147.763   10.385 -6.359848 14.85030 
1 1 1   19    3    2 o  156.135   8.4504   57.578   6.1112   54.041   8.0301   62.445   9.4206  150.638   11.406  161.632   12.471 -10.99339 16.90071 
1 1 1   19    3    3 o  186.644   9.9566   83.904   8.6664   89.963   12.248   77.830   12.264  193.602   13.537  179.685   14.605 13.91649 19.91323 
1 1 1   19    3    4 o  108.798   8.9707   28.506   4.3170   27.738   7.3471   28.912   5.3351  107.243   14.659  110.354   10.345 -3.110550 17.94148 
1 1 1   19    3    5 o   77.254   10.542   13.419   3.4335   19.223   6.3929   11.066   4.0704   87.732   16.188   66.775   13.507 20.95705 21.08314 
1 1 1   19    3    6 o  180.113   12.085   79.229   10.172   79.719   14.512   78.755   14.261  180.614   17.192  179.612   16.989 1.002258 24.17037 
1 1 1   19    3    7 o  136.573   18.377   49.666   11.358   39.696   16.385   58.889   15.759  120.208   29.407  152.938   22.048 -32.72926 36.75409 
1 1 1   19    3    8 o  118.365   14.787   33.599   7.4429   41.367   13.646   30.310   8.8802  125.504   24.141  111.226   17.083 14.27808 29.57421 
1 1 1   19    3    9 o  180.883   10.350   77.662   8.5901   71.223   10.976   87.842   13.800  171.822   13.668  189.945   15.545 -18.12320 20.69994 
1 1 1   19    3   10 o  157.543   10.569   61.383   7.2232   63.448   8.8239   57.191   12.576  162.834   11.595  152.252   17.674 10.58237 21.13759 
1 1 1   19    3   11 o  287.000   14.341  206.895   19.230  211.888   27.172  201.885   27.219  290.747   19.997  283.253   20.561 7.494232 28.68214 
1 1 1   19    3   12 o  163.629   15.916   73.723   9.5414   78.445   10.992   59.290   19.217  180.465   13.033  146.792   29.041 33.67279 31.83104 
1 1 1   19    3   13 o  135.646   11.035   45.302   6.7951   47.027   8.7500   42.682   10.786  139.664   13.405  131.627   17.533 8.037323 22.07045 
1 1 1   19    3   14 o  155.664   9.7181   58.454   7.0558   63.361   10.085   53.749   9.8753  162.218   13.302  149.111   14.171 13.10718 19.43620 
1 1 1   19    3   15 o  219.380   10.573  116.874   10.827  111.090   15.377  122.562   15.248  213.750   15.393  225.010   14.500 -11.26030 21.14656 
1 1 1   19    3   16 o  205.910   10.404  102.804   10.011  104.320   14.252  101.328   14.065  207.413   14.703  204.407   14.723 3.006592 20.80724 
1 1 1   19    3   17 o  144.331   11.247   50.633   7.4531   49.371   9.6337   52.515   11.763  142.660   14.449  146.001   17.239 -3.341049 22.49374 
1 1 1   19    3   18 o  160.444   18.456   73.829   11.940   54.339   20.673   83.586   14.627  136.824   32.763  184.063   17.004 -47.23859 36.91229 
1 1 1   19    3   19 o  191.650   21.655  103.092   18.642   85.929   26.429  120.086   26.298  171.131   34.241  212.169   26.522 -41.03780 43.31092 
1 1 1   19    3   20 o  189.213   20.369   98.147   17.979   93.005   25.562  103.180   25.291  183.286   29.842  195.140   27.731 -11.85335 40.73800 
1 1 1   19    3   21 o  111.265   13.083   31.516   6.4937   30.816   10.187   31.996   8.4279  108.515   20.844  114.015   15.817 -5.499496 26.16598 
1 1 1   19    3   22 o   51.706   13.049   3.7445   4.0199   11.450   7.1718   0.2148   4.8541   66.569   20.783   36.843   15.786 29.72647 26.09796 
1 1 1   19    3   23 o   91.498   12.948   22.200   5.1318   18.760   8.7094   24.029   6.3514   83.651   21.988   99.346   13.680 -15.69473 25.89637 
1 1 1   19    3   24 o  103.190   13.245   27.139   6.0971   40.412   9.1144   16.387   8.2027  128.132   15.220   78.248   21.682 49.88412 26.49096 
1 1 1   19    3   25 o   98.334   19.002   27.408   8.9739   26.761   12.390   28.123   13.015   97.308   26.520   99.361   27.222 -2.052673 38.00494 
1 1 1   19    3   26 o   42.662   13.493  -2.7487   5.7664 -14.3015   10.535   2.1936   6.8903   39.128   18.918   46.195   19.245 -7.067322 26.98634 
1 1 1   19    3   27 o   47.935   13.983   2.6787   5.1331   0.6265   7.4130   4.5691   7.1148   44.980   19.393   50.891   20.149 -5.911625 27.96581 
1 1 1   19    3   28 o  119.849   10.319   33.727   5.6175   28.395   7.0062   43.326   9.3998  107.510   13.944  132.188   15.215 -24.67799 20.63845 
1 1 1   19    3   29 o  171.690   12.797   77.059   9.7692   83.937   12.492   66.230   15.675  184.345   14.500  159.036   21.090 25.30971 25.59328 
1 1 1   19    3   30 o  100.277   12.335   25.612   5.4155   24.986   6.7632   26.730   9.0407  100.482   14.402  100.073   20.030 0.4088135 24.66984 
1 1 1   19    3   31 o  169.370   12.829   74.564   9.7728   76.667   12.423   71.150   15.830  174.898   15.198  163.842   20.673 11.05571 25.65860 
1 1 1   19    3   32 o   85.887   12.600   18.118   4.6623   14.948   5.6385   24.972   8.2902   75.373   16.467   96.401   19.076 -21.02788 25.20080 
1 1 1   19    3   33 o   95.743   11.937   23.684   4.8680   23.565   5.9347   23.928   8.5108   97.705   12.997   93.781   20.027 3.923691 23.87478 
1 1 1   19    3   34 o   87.947   10.216   19.195   3.9021   10.936   5.1388   30.440   5.9967   64.215   16.895  111.678   11.490 -47.46242 20.43177 
1 1 1   19    3   35 o   67.176   11.930   12.094   3.7228   12.418   4.9421   11.670   5.6602   68.648   15.740   65.703   17.932 2.945328 23.86042 
1 1 1   19    3   36 o   44.980   11.865   4.5033   3.3054   4.2003   4.3058   4.9382   5.1580   43.295   16.033   46.665   17.495 -3.370487 23.73065 
1 1 1   19    3   37 o   83.461   12.654   19.081   4.7642   17.881   6.3677   20.606   7.1806   80.777   17.383   86.145   18.395 -5.368484 25.30865 
1 1 1   19    3   38 o   62.960   11.789   10.699   3.3848   10.642   4.1204   10.816   5.9360   63.601   14.219   62.319   18.807 1.282089 23.57761 
1 1 1   19    3   39 o   36.347   10.756   1.5126   2.9664   2.3162   3.5612  -0.3088   5.3615   36.261   14.287   36.434   16.082 -0.1727409 21.51164 
1 1 1   19    3   40 o   49.358   10.635   5.9502   3.4090   11.626   4.4545  -2.0728   5.2960   65.516   14.886   33.200   15.193 32.31603 21.27050 
1 1 1   19    3   41 o   95.025   11.473   24.244   4.8923   27.370   7.8299   22.242   6.2660   98.372   17.681   91.678   14.625 6.694252 22.94564 
1 1 1   19    3   42 o   32.702   9.3019   0.3991   2.6046   4.1884   3.3598  -5.3085   4.1234   40.679   14.279   24.724   11.925 15.95548 18.60371 
1 1 1   19    3   43 o   37.655   9.9907   1.4410   2.5590  -1.5737   3.1815   6.9653   4.3067   25.591   11.735   49.719   16.173 -24.12757 19.98138 
1 1 1   19    3   44 o   53.992   10.939   7.5453   3.0887   3.8033   4.0165   12.960   4.8316   40.226   15.356   67.757   15.583 -27.53015 21.87800 
1 1 1   19    3   45 o   43.703   11.163   5.1565   2.9850   6.2455   3.7961   3.3922   4.8317   47.113   15.171   40.294   16.379 6.818378 22.32564 
1 1 1   19    3   46 o   45.550   11.514   5.8793   3.0573   5.7834   3.9077   6.0307   4.9088   45.094   15.422   46.005   17.103 -0.9102516 23.02886 
1 1 1   19    4    0 o  211.455   9.3605  107.075   12.965  107.075   12.965  107.075   12.965  211.455   13.238  211.455   13.238 -0.000000 0.000000 
1 1 1   19    4    1 o   87.874   7.4661   18.410   3.0526   20.267   4.3016   16.526   4.3326   92.433   9.9578   83.315   11.127 9.118034 14.93215 
1 1 1   19    4    2 o   99.879   8.0375   23.507   3.7281   27.453   5.5952   20.356   4.9996  107.371   11.150   92.388   11.579 14.98326 16.07498 
1 1 1   19    4    3 f  121.338   8.1072   35.416   4.5319   32.960   6.8700   37.307   6.0301  117.346   12.527  125.329   10.295 -7.983162 16.21450 
1 1 1   19    4    4 o  206.975   10.610  103.696   10.253   98.535   14.487  108.877   14.514  201.636   15.373  212.314   14.627 -10.67836 21.21956 
1 1 1   19    4    5 o  169.014   9.5944   68.767   7.5728   70.374   10.596   67.089   10.827  171.147   13.248  166.881   13.882 4.265991 19.18874 
1 1 1   19    4    6 o  173.651   8.6939   71.775   6.9810   69.223   9.1605   75.310   10.782  170.255   11.513  177.048   13.030 -6.793472 17.38770 
1 1 1   19    4    7 o  163.662   11.534   67.157   8.4571   72.988   10.866   58.195   13.470  174.092   13.355  153.232   18.810 20.85962 23.06828 
1 1 1   19    4    8 o  168.976   11.474   69.973   9.0206   62.484   12.730   77.527   12.785  159.468   17.081  178.483   15.327 -19.01489 22.94889 
1 1 1   19    4    9 o  104.837   10.258   27.819   4.3889   24.853   7.9415   29.123   5.2661   99.065   17.808  110.609   10.187 -11.54405 20.51563 
1 1 1   19    4   10 o  113.711   13.722   30.997   4.9055   35.334   13.334   30.319   5.2755  114.537   25.558  112.884   9.9997 1.652466 27.44437 
1 1 1   19    4   11 o   46.969   11.644   4.3753   3.0803   7.0399   5.2024   2.9369   3.8223   54.090   17.784   39.848   15.036 14.24178 23.28816 
1 1 1   19    4   12 o  127.913   15.393   39.837   8.2137   47.444   15.434   36.831   9.7016  133.336   25.700  122.489   16.947 10.84682 30.78517 
1 1 1   19    4   13 o  264.000   16.354  177.811   20.173  183.155   28.691  172.586   28.369  268.146   22.894  259.853   23.360 8.293182 32.70866 
1 1 1   19    4   14 o  269.865   17.018  187.255   21.419  175.850   30.427  198.457   30.157  260.784   24.966  278.945   23.133 -18.16199 34.03517 
1 1 1   19    4   15 o  151.841   12.152   56.695   8.5359   67.092   12.290   47.004   11.865  165.861   15.855  137.822   18.420 28.03841 24.30391 
1 1 1   19    4   16 o  138.300   16.281   50.615   9.3150   46.502   16.602   52.505   11.253  130.238   28.100  146.362   16.452 -16.12401 32.56190 
1 1 1   19    4   17 o   63.173   13.450   10.322   4.2380   11.313   5.1989   8.3584   7.3166   66.566   16.731   59.780   21.065 6.786255 26.90058 
1 1 1   19    4   18 o   65.465   17.182   9.7106   7.0088   8.8964   10.133   10.457   9.7051   64.322   24.430   66.608   24.166 -2.285736 34.36316 
1 1 1   19    4   19 o  113.231   16.538   33.292   8.3395   28.930   10.714   39.997   13.283  104.280   22.634  122.182   24.118 -17.90260 33.07550 
1 1 1   19    4   20 o  242.900   18.300  156.013   17.751  155.111   20.510  158.706   35.433  249.624   17.581  236.177   32.102 13.44655 36.60084 
1 1 1   19    4   21 o  120.762   10.214   34.099   5.6232   28.949   7.0644   43.004   9.2897  109.058   13.860  132.467   15.006 -23.40840 20.42743 
1 1 1   19    4   22 o  161.192   9.8235   62.455   7.2822   58.736   9.3837   68.086   11.547  155.699   12.896  166.686   14.822 -10.98622 19.64694 
1 1 1   19    4   23 o   53.904   13.132   6.6854   3.6942   6.5213   4.3103   7.1395   7.1705   51.322   16.126   56.486   20.730 -5.163952 26.26356 
1 1 1   19    4   24 o   60.741   16.089   8.1114   6.4101   11.520   8.1074   2.4267   10.469   66.874   22.211   54.608   23.284 12.26621 32.17896 
1 1 1   19    4   25 o  120.027   13.456   35.237   6.4860   33.225   7.5140   41.116   12.847  116.562   13.793  123.492   23.108 -6.930069 26.91210 
1 1 1   19    4   26 o   85.077   15.970   18.975   5.4590   18.692   6.0413   20.236   12.744   85.706   15.660   84.449   27.838 1.257813 31.94008 
1 1 1   19    4   27 o   96.091   9.9344   22.714   4.4274   22.413   6.6495   22.954   5.9341   95.210   14.944   96.972   13.094 -1.761902 19.86873 
1 1 1   19    4   28 o   74.341   10.548   13.999   3.5928   9.2139   4.9542   19.307   5.2179   59.638   16.966   89.044   12.539 -29.40610 21.09671 
1 1 1   19    4   29 f  135.626   9.8850   45.383   6.2137   38.497   8.6851   52.604   8.8936  124.583   14.917  146.668   12.975 -22.08517 19.76997 
1 1 1   19    4   30 o   52.474   13.498   6.2873   4.0865   6.3205   7.3069   6.2722   4.9294   54.204   20.708   50.745   17.321 3.458965 26.99661 
1 1 1   19    4   31 o   64.461   13.005   11.610   4.2327   7.4711   7.0486   13.944   5.2933   55.869   20.545   73.053   15.951 -17.18364 26.01056 
1 1 1   19    4   32 o   65.689   13.255   12.042   4.3522   8.5924   7.1334   14.087   5.4930   58.269   20.771   73.109   16.472 -14.83955 26.50927 
1 1 1   19    4   33 f  122.923   11.774   38.613   6.5570   38.226   10.570   38.854   8.3600  121.083   18.679  124.762   14.338 -3.679077 23.54724 
1 1 1   19    4   34 o  174.592   12.259   79.508   9.6979   74.158   15.324   83.083   12.525  167.350   19.593  181.834   14.739 -14.48370 24.51810 
1 1 1   19    4   35 o   89.933   10.864   21.590   4.2441   9.3525   5.7949   35.750   6.2333   58.983   18.718  120.882   11.033 -61.89927 21.72802 
1 1 1   19    4   36 o  107.755   10.641   29.716   5.3289   34.255   7.8216   25.783   7.2799  115.777   14.455   99.732   15.619 16.04526 21.28139 
1 1 1   19    4   37 o   72.258   11.746   14.124   3.7135   14.013   4.5373   14.349   6.4628   73.331   13.744   71.186   19.050 2.144669 23.49103 
1 1 1   19    4   38 o  100.588   10.571   26.259   4.4021   26.374   5.2845   26.000   7.9570  103.535   10.921   97.640   18.104 5.895256 21.14285 
1 1 1   19    4   39 o   71.077   10.798   13.176   3.3736   12.123   4.2093   15.066   5.6410   67.958   13.726   74.197   16.674 -6.239182 21.59698 
1 1 1   19    4   40 o  108.831   9.5946   30.703   4.5629   30.814   5.5846   30.480   7.9139  111.109   10.755  106.553   15.892 4.555611 19.18915 
1 1 1   19    4   41 o   46.383   10.479   5.7770   3.0716   9.2155   3.7882  -0.8222   5.2480   58.241   14.074   34.525   15.529 23.71612 20.95769 
1 1 1   19    4   42 o   68.097   12.282   13.467   3.9149   13.912   5.7293   13.077   5.3620   68.925   17.695   67.269   17.037 1.656326 24.56412 
1 1 1   19    4   43 o   47.386   11.171   5.6173   2.9139   3.5046   3.6998   9.0685   4.7288   38.887   14.764   55.885   16.769 -16.99836 22.34192 
1 1 1   19    4   44 o   47.858   10.952   3.4798   2.9138  -0.0965   3.4107   13.143   5.6064   29.249   12.872   66.467   17.724 -37.21831 21.90489 
1 1 1   19    4   45 o   47.867   10.254   6.7745   3.0168   10.262   3.7151   0.0231   5.1689   61.012   13.396   34.722   15.529 26.29012 20.50896 
1 1 1   19    4   46 o   35.875   10.703   1.3849   2.9342  -0.1218   3.5888   4.4228   5.0960   29.435   13.067   42.316   16.954 -12.88029 21.40532 
1 1 1   19    5    0 o  132.697   9.0521   42.818   7.7693   42.818   7.7693   42.818   7.7693  132.697   12.802  132.697   12.802 -0.000000 0.000000 
1 1 1   19    5    1 o  181.329   9.9510   79.361   8.4302   81.902   11.959   76.850   11.886  184.292   13.885  178.366   14.259 5.925781 19.90195 
1 1 1   19    5    2 o  158.266   9.1582   60.199   6.7664   56.820   9.5421   63.616   9.5964  153.685   13.285  162.847   12.609 -9.162308 18.31631 
1 1 1   19    5    3 o  105.683   8.6078   26.581   4.2348   23.625   5.7543   30.073   6.2546   99.266   12.404  112.101   11.939 -12.83476 17.21567 
1 1 1   19    5    4 o   57.176   10.477   7.3713   2.7446   5.3181   3.3508   11.557   4.7841   46.671   14.141   67.681   15.463 -21.00951 20.95422 
1 1 1   19    5    5 o  136.107   8.0587   43.842   5.0362   42.051   6.4846   46.564   7.9949  132.882   10.442  139.332   12.278 -6.449905 16.11746 
1 1 1   19    5    6 o  100.477   7.3457   24.078   3.4444   25.007   4.8111   23.101   4.9335  102.531   10.040   98.424   10.725 4.106560 14.69149 
1 1 1   19    5    7 o  109.913   7.4247   28.778   3.7927   32.949   5.4678   24.909   5.2654  117.698   9.9404  102.129   11.032 15.56847 14.84949 
1 1 1   19    5    8 o   45.539   10.852   4.2240   2.6560   2.8585   3.2616   6.9119   4.5759   38.010   13.976   53.068   16.606 -15.05815 21.70466 
1 1 1   19    5    9 o   93.979   10.907   21.797   4.6824   20.284   6.5697   23.358   6.6753   89.845   16.244   98.113   14.558 -8.267906 21.81313 
1 1 1   19    5   10 o  155.548   17.439   71.245   9.6355   48.864   19.632   78.348   11.059  130.730   32.316  180.366   13.120 -49.63593 34.87773 
1 1 1   19    5   11 o   58.582   13.558   8.9214   4.5311  -1.6656   9.8348   11.774   5.1052   49.018   21.701   68.145   16.257 -19.12718 27.11538 
1 1 1   19    5   12 o  158.686   10.611   62.254   7.6390   55.375   11.917   67.052   9.9527  150.283   16.967  167.088   12.745 -16.80492 21.22114 
1 1 1   19    5   13 o  174.615   11.148   75.758   8.7895   67.501   13.881   81.284   11.356  165.455   17.951  183.775   13.222 -18.32062 22.29514 
1 1 1   19    5   14 o  248.878   19.592  165.326   19.214  159.943   38.540  167.106   22.165  237.801   34.678  259.956   18.244 -22.15445 39.18420 
1 1 1   19    5   15 o  210.746   11.709  111.148   11.163   98.325   17.487  119.966   14.501  198.815   18.821  222.677   13.934 -23.86208 23.41761 
1 1 1   19    5   16 o  153.563   14.815   57.823   9.9401   65.377   17.870   54.438   11.961  158.664   24.100  148.461   17.239 10.20303 29.63094 
1 1 1   19    5   17 o   54.430   12.289   7.2732   3.7009   9.7809   4.8957   3.9294   5.6533   61.931   16.584   46.928   18.141 15.00242 24.57855 
1 1 1   19    5   18 o   65.327   13.834   11.292   4.7887   6.1398   7.7139   14.523   6.1083   55.583   21.266   75.071   17.699 -19.48735 27.66780 
1 1 1   19    5   19 o  160.211   11.875   64.431   8.6762   68.700   11.377   58.497   13.413  167.784   14.509  152.638   18.802 15.14604 23.74938 
1 1 1   19    5   20 o   86.976   11.084   19.490   4.2910   23.934   5.8686   14.383   6.2901   99.509   12.619   74.444   18.226 25.06433 22.16809 
1 1 1   19    5   21 o  107.608   10.815   28.189   5.2523   27.437   6.5900   29.498   8.6964  106.315   13.263  108.901   17.087 -2.586914 21.63038 
1 1 1   19    5   22 o   78.386   12.032   13.786   4.0286   10.329   4.7686   22.405   7.5294   63.467   16.063   93.305   17.918 -29.83836 24.06382 
1 1 1   19    5   23 o   61.076   12.950   8.0730   3.6469   6.0531   4.2355   13.863   7.1711   49.741   16.026   72.411   20.347 -22.66978 25.90044 
1 1 1   19    5   24 o   40.606   11.550   2.5451   3.1632   3.8423   3.5508  -2.4410   6.9617   41.618   14.674   39.593   17.840 2.024101 23.09910 
1 1 1   19    5   25 o   61.547   11.565   8.6931   3.4033   5.3826   4.2347   14.732   5.7192   47.566   16.055   75.528   16.651 -27.96181 23.13018 
1 1 1   19    5   26 o  124.691   10.678   38.527   6.2090   35.995   8.8246   41.010   8.7377  120.352   15.689  129.030   14.490 -8.678589 21.35657 
1 1 1   19    5   27 o   88.353   15.354   26.433   5.9328   5.5105   15.428   30.063   6.4270   65.509   28.107  111.197   12.367 -45.68787 30.70762 
1 1 1   19    5   28 o   66.721   10.589   11.855   3.3368   15.503   4.4453   7.1459   5.0502   79.928   11.900   53.514   17.518 26.41378 21.17804 
1 1 1   19    5   29 o   70.110   10.028   12.565   3.0350   12.983   3.7094   11.718   5.2787   73.321   10.825   66.899   16.883 6.422310 20.05537 
1 1 1   19    5   30 o   89.447   8.9295   19.432   3.7127   17.617   4.9511   21.765   5.6120   84.768   12.498   94.126   12.757 -9.358192 17.85892 
1 1 1   19    5   31 o   76.361   10.918   14.843   3.3370   14.724   3.8472   15.205   6.7054   77.921   10.564   74.802   19.111 3.119453 21.83658 
1 1 1   19    5   32 o  106.159   9.5602   27.899   4.7362   25.900   6.5718   30.059   6.8316  102.092   13.774  110.225   13.262 -8.132370 19.12039 
1 1 1   19    5   33 o   44.194   10.300   4.9170   2.7046   6.9344   3.2001  -0.1271   5.0602   52.008   13.156   36.380   15.852 15.62778 20.60070 
1 1 1   19    5   34 o   41.162   11.407   2.5520   2.8701   1.6765   3.3346   5.0541   5.6375   34.163   13.705   48.161   18.239 -13.99798 22.81445 
1 1 1   19    5   35 o   98.611   10.411   25.641   4.4436   27.763   5.6810   22.297   7.1321  106.147   11.452   91.076   17.390 15.07065 20.82216 
1 1 1   19    5   36 o   62.962   13.163   10.145   4.1808   6.5714   5.2897   16.092   6.8241   50.618   17.903   75.306   19.301 -24.68822 26.32559 
1 1 1   19    5   37 o  124.691   9.9011   38.097   5.6433   32.773   7.1286   47.035   9.2362  113.888   13.393  135.494   14.586 -21.60512 19.80211 
1 1 1   19    5   38 o   75.876   14.359   15.982   5.0078   18.670   8.5251   14.565   6.1880   79.399   22.141   72.354   18.290 7.045135 28.71832 
1 1 1   19    5   39 o   38.151   10.671   2.4678   3.0118   4.5889   3.6903  -1.7636   5.2122   42.874   14.970   33.428   15.210 9.445808 21.34134 
1 1 1   19    5   40 f   47.948   11.768   6.2808   3.3960   8.1066   4.1309   2.4736   5.9650   54.100   15.526   41.796   17.689 12.30373 23.53619 
1 1 1   19    5   41 o   98.808   13.090   28.072   5.9159   30.583   8.5021   25.716   8.2369  104.575   17.396   93.041   19.564 11.53421 26.17940 
1 1 1   19    5   42 o   44.351   12.198   4.7425   3.7098   2.3514   6.0485   6.1844   4.6970   41.170   17.630   47.532   16.864 -6.362602 24.39660 
1 1 1   19    5   43 o   80.512   12.229   17.581   4.5560   11.760   5.8051   26.918   7.3519   62.315   18.552   98.710   15.937 -36.39487 24.45749 
1 1 1   19    5   44 o   23.560   8.0240  -3.8082   2.4126  -2.9127   2.8624  -6.0048   4.4831   21.884   10.384   25.236   12.235 -3.352530 16.04793 
1 1 1   19    5   45 o   36.618   10.777   1.3772   3.0083  -0.7367   3.7419   5.2403   5.0585   28.941   13.056   44.295   17.150 -15.35443 21.55366 
1 1 1   19    6    0 o  125.899   11.604   39.700   9.2023   39.700   9.2023   39.700   9.2023  125.899   16.411  125.899   16.411 -0.000000 0.000000 
1 1 1   19    6    1 o  169.633   9.3795   66.532   7.0865   60.583   8.6336   78.817   12.406  159.096   11.612  180.169   14.733 -21.07307 18.75906 
1 1 1   19    6    2 o   97.370   10.244   24.589   4.0426   26.635   4.8846   20.141   7.2020  105.835   9.8755   88.905   17.952 16.93085 20.48895 
1 1 1   19    6    3 o  183.268   10.311   80.417   8.3078   78.319   10.109   84.782   14.583  180.745   11.967  185.790   16.795 -5.044861 20.62200 
1 1 1   19    6    4 o  227.991   9.4319  125.389   10.050  124.259   14.181  126.529   14.243  226.941   13.371  229.040   13.306 -2.098602 18.86384 
1 1 1   19    6    5 o  169.253   7.9958   68.554   6.3145   73.101   8.9443   64.037   8.9159  174.976   10.938  163.530   11.666 11.44632 15.99160 
1 1 1   19    6    6 o  138.455   8.3691   46.417   5.3032   48.683   6.9450   43.246   8.2133  142.944   10.396  133.965   13.118 8.978714 16.73828 
1 1 1   19    6    7 o  176.021   9.8028   74.965   8.0523   79.448   11.384   70.476   11.392  181.476   13.422  170.566   14.291 10.91005 19.60561 
1 1 1   19    6    8 o  219.833   11.579  118.414   11.869  127.232   16.787  109.598   16.785  228.415   15.725  211.252   17.001 17.16243 23.15885 
1 1 1   19    6    9 o  118.192   8.4029   33.571   4.6199   31.640   6.7353   35.287   6.3490  114.807   12.553  121.578   11.174 -6.771217 16.80580 
1 1 1   19    6   10 o  118.428   9.3143   34.116   5.0079   32.033   7.9482   35.488   6.4490  114.950   14.795  121.905   11.319 -6.955360 18.62860 
1 1 1   19    6   11 o   72.357   11.954   13.402   3.9668   12.119   5.8810   14.473   5.3732   68.864   18.053   75.851   15.676 -6.986977 23.90896 
1 1 1   19    6   12 o  190.035   16.414   95.615   12.111   85.001   24.379   99.093   13.955  177.929   29.318  202.141   14.771 -24.21196 32.82896 
1 1 1   19    6   13 o  191.782   11.819   89.520   10.451   94.554   16.330   86.028   13.601  195.669   17.858  187.896   15.488 7.772980 23.63869 
1 1 1   19    6   14 o  149.021   12.631   55.355   8.7048   63.435   12.234   47.069   12.389  160.826   16.276  137.217   19.319 23.60922 25.26128 
1 1 1   19    6   15 o   34.011   10.564  -1.3470   3.2248  -2.9658   4.2074   0.9584   5.0209   29.076   13.392   38.946   16.342 -9.870522 21.12817 
1 1 1   19    6   16 o   90.233   13.137   20.753   5.2932   22.336   8.2517   19.646   6.8997   92.746   19.648   87.720   17.444 5.025757 26.27461 
1 1 1   19    6   17 o   62.450   12.260   6.6400   4.4648   19.929   7.2495  -1.4807   5.6671   87.990   18.229   36.910   16.401 51.07992 24.52069 
1 1 1   19    6   18 o   51.528   13.382   5.6698   3.9439   5.0902   7.5459   5.8877   4.6261   53.201   20.849   49.855   16.781 3.346054 26.76303 
1 1 1   19    6   19 o  112.450   12.121   32.076   5.7856   30.856   9.9950   32.691   7.0952  108.748   20.416  116.152   13.071 -7.403915 24.24146 
1 1 1   19    6   20 o  183.658   11.786   83.453   9.8366   84.516   15.874   82.790   12.533  183.357   18.525  183.959   14.577 -0.6018677 23.57277 
1 1 1   19    6   21 o  163.336   11.854   66.722   8.6982   64.563   14.242   68.006   10.985  159.779   19.072  166.894   14.084 -7.115143 23.70885 
1 1 1   19    6   22 o  147.773   10.445   49.918   6.9587   70.724   11.823   38.890   8.6075  169.637   14.913  125.910   14.628 43.72662 20.88938 
1 1 1   19    6   23 o   77.606   14.426   15.539   5.7937   25.113   8.4139   6.9064   7.9896   98.155   19.029   57.058   21.688 41.09631 28.85242 
1 1 1   19    6   24 o  162.224   13.105   66.729   9.9190   71.730   14.183   61.940   13.877  168.530   18.007  155.919   19.044 12.61089 26.20945 
1 1 1   19    6   25 o   92.838   16.888   21.773   7.2573   15.413   8.9767   33.773   12.331   75.300   23.209  110.376   24.540 -35.07655 33.77644 
1 1 1   19    6   26 o   69.097   17.038   5.1089   5.2228   27.628   14.384   1.6890   5.6053   96.446   29.315   41.749   17.372 54.69656 34.07569 
1 1 1   19    6   27 o   99.132   17.243   27.569   6.2709   25.467   16.523   27.922   6.7781   91.585   31.692  106.680   13.595 -15.09438 34.48537 
1 1 1   19    6   28 o  126.847   17.417   40.852   8.6035   52.292   18.300   37.606   9.7480  131.758   30.344  121.935   17.106 9.823280 34.83368 
1 1 1   19    6   29 o  197.539   12.426   97.373   11.205  111.271   18.301   89.040   14.171  207.205   18.899  187.872   16.140 19.33319 24.85241 
1 1 1   19    6   30 o   67.260   13.697   11.329   4.4818   16.781   7.4463   8.2324   5.6121   78.133   20.232   56.387   18.467 21.74568 27.39330 
1 1 1   19    6   31 o   74.008   13.740   14.579   4.6911   16.580   7.7209   13.407   5.9062   77.289   20.881   70.727   17.863 6.561996 27.47953 
1 1 1   19    6   32 o   94.922   12.917   23.516   5.6001   27.999   8.2746   19.726   7.6070  104.592   16.928   85.253   19.514 19.33897 25.83320 
1 1 1   19    6   33 o  160.877   14.157   64.912   9.4235   78.536   18.718   60.286   10.907  167.218   23.951  154.536   15.101 12.68213 28.31432 
1 1 1   19    6   34 o   69.902   15.102   14.314   5.3754   10.716   9.7774   15.873   6.4352   63.565   24.033   76.240   18.294 -12.67456 30.20351 
1 1 1   19    6   35 o   86.872   11.752   18.768   4.5616   14.356   5.6808   26.775   7.6537   72.535   17.046  101.208   16.181 -28.67342 23.50336 
1 1 1   19    6   36 o   63.345   12.166   10.610   3.3481   10.231   3.8554   11.774   6.7521   62.502   13.587   64.187   20.186 -1.684612 24.33249 
1 1 1   19    6   37 o   76.373   12.841   16.082   4.5043   16.584   6.6601   15.660   6.1147   77.174   18.669   75.572   17.635 1.602898 25.68125 
1 1 1   19    6   38 o   73.207   11.807   14.337   4.1771   8.5298   5.6634   21.264   6.1856   55.706   18.567   90.708   14.591 -35.00183 23.61415 
1 1 1   19    6   39 o   88.202   10.624   21.877   3.9194   24.399   4.8802   17.296   6.5781   98.991   10.549   77.413   18.444 21.57835 21.24797 
1 1 1   19    6   40 o   76.035   13.101   16.553   4.5935   13.805   6.0363   20.334   7.0804   68.538   18.441   83.532   18.613 -14.99368 26.20109 
1 1 1   19    6   41 o   67.964   20.110   14.319   6.8363   0.0000   0.0000   14.319   6.8363  ?   ?    67.964   20.110      ?      ? 
1 1 1   19    6   42 o   75.714   11.314   16.011   4.0912   8.3102   5.5238   25.368   6.0890   53.224   18.330   98.203   13.267 -44.97866 22.62755 
1 1 1   19    6   43 o   45.820   10.562   3.7289   2.9309  -0.4642   3.6625   11.196   4.8874   29.503   13.142   62.138   16.538 -32.63480 21.12439 
1 1 1   19    6   44 o   48.504   10.650   4.8868   2.7764   1.5908   3.3421   12.228   4.9877   32.587   13.475   64.422   16.495 -31.83575 21.29914 
1 1 1   19    6   45 o   47.661   11.378   6.7171   3.3411   9.4770   4.2520   2.2629   5.4016   56.722   15.568   38.600   16.598 18.12133 22.75663 
1 1 1   19    7    0 o  329.930   15.748  268.901   33.982  268.901   33.982  268.901   33.982  329.930   22.271  329.930   22.271 -0.000000 0.000000 
1 1 1   19    7    1 o  156.826   8.4555   59.354   6.1042   56.275   9.3328   61.656   8.0695  152.868   13.063  160.783   10.739 -7.915527 16.91090 
1 1 1   19    7    2 o  148.650   8.4473   52.866   5.8025   53.513   8.9153   52.391   7.6429  149.168   12.788  148.132   11.040 1.036026 16.89451 
1 1 1   19    7    3 o  183.998   9.9030   81.832   8.5075   86.783   12.156   77.078   11.911  189.576   13.720  178.419   14.284 11.15674 19.80594 
1 1 1   19    7    4 f  197.271   9.3334   93.480   8.5315   91.908   11.312   95.554   12.993  195.710   12.368  198.832   13.982 -3.122055 18.66687 
1 1 1   19    7    5 o  155.607   9.6220   57.385   6.5900   55.432   8.0104   61.473   11.592  152.351   11.250  158.862   15.613 -6.510544 19.24409 
1 1 1   19    7    6 o  143.911   13.821   58.925   7.2550   66.340   8.5037   39.093   13.908  166.791   10.909  121.032   25.397 45.75823 27.64107 
1 1 1   19    7    7 o  137.948   8.8654   44.456   5.6385   54.122   8.8803   37.927   7.2985  150.145   12.655  125.751   12.419 24.39400 17.73081 
1 1 1   19    7    8 f  116.410   7.1737   32.509   3.8621   37.032   5.3895   27.735   5.5372  124.982   9.2269  107.838   10.987 17.14412 14.34749 
1 1 1   19    7    9 o  285.977   12.369  200.553   16.378  196.751   21.664  205.626   25.021  283.735   16.337  288.220   18.576 -4.484497 24.73796 
1 1 1   19    7   10 o  193.562   10.157   90.684   9.1836   86.919   12.891   94.563   13.086  189.389   14.564  197.734   14.161 -8.344711 20.31389 
1 1 1   19    7   11 o  233.505   15.349  138.335   16.723  143.535   23.348  132.856   23.965  238.654   20.933  228.357   22.455 10.29794 30.69899 
1 1 1   19    7   12 o   51.880   13.033   6.0153   3.9364   6.2279   5.1395   5.7135   6.1225   51.713   17.686   52.048   19.147 -0.3351822 26.06523 
1 1 1   19    7   13 o   89.475   16.079   21.927   6.5129   18.509   11.599   23.501   7.8708   83.027   26.496   95.922   18.224 -12.89497 32.15823 
1 1 1   19    7   14 o  188.271   13.146   88.709   11.534   82.204   16.411   95.060   16.215  180.888   19.412  195.654   17.733 -14.76587 26.29238 
1 1 1   19    7   15 o  133.886   12.643   45.047   7.7995   37.422   11.148   52.358   10.916  121.862   19.574  145.911   16.008 -24.04941 25.28632 
1 1 1   19    7   16 o   76.944   13.409   15.666   4.6725   14.044   7.8725   16.548   5.8057   73.085   21.568   80.804   15.940 -7.718750 26.81863 
1 1 1   19    7   17 o  164.676   10.774   64.414   8.1339   77.781   13.167   56.165   10.343  177.734   15.852  151.620   14.597 26.11401 21.54890 
1 1 1   19    7   18 o  109.918   12.990   32.488   5.9785   25.255   10.009   36.501   7.4546   97.093   22.497  122.743   12.995 -25.64989 25.98085 
1 1 1   19    7   19 o  177.008   11.705   77.253   9.4609   79.711   15.143   75.679   12.117  178.258   18.177  175.757   14.752 2.501221 23.40932 
1 1 1   19    7   20 o  156.887   11.168   59.960   8.0269   64.934   12.867   56.791   10.271  161.443   17.053  152.331   14.427 9.112442 22.33692 
1 1 1   19    7   21 o  134.830   13.304   50.939   7.2433   31.060   11.479   64.090   9.3367  106.896   23.608  162.763   12.274 -55.86688 26.60797 
1 1 1   19    7   22 o   81.992   13.054   18.813   4.9907   10.996   8.0605   23.673   6.3554   65.583   22.150   98.402   13.820 -32.81949 26.10758 
1 1 1   19    7   23 o  119.493   11.067   34.628   6.0287   38.971   9.8686   32.042   7.6148  124.754   16.926  114.232   14.264 10.52216 22.13461 
1 1 1   19    7   24 o  185.412   13.831   88.432   11.947   83.829   17.232   92.693   16.578  179.947   20.490  190.877   18.584 -10.93047 27.66241 
1 1 1   19    7   25 o  184.677   16.775   89.533   13.614   85.671   16.571   97.549   23.877  182.621   19.416  186.734   27.360 -4.112473 33.54928 
1 1 1   19    7   26 o   68.178   15.803   12.501   6.6253   18.443   8.0938   0.4351   11.534   82.573   20.942   53.783   23.671 28.78933 31.60511 
1 1 1   19    7   27 o  111.331   21.348   38.479   11.526   32.271   17.778   42.981   15.139  100.769   32.863  121.894   27.258 -21.12534 42.69602 
1 1 1   19    7   28 o  127.183   13.859   39.990   8.2377   0.0000   0.0000   39.990   8.2377  ?   ?   127.183   13.859      ?      ? 
1 1 1   19    7   29 o   83.564   14.010   18.072   5.1766   22.739   8.9282   15.709   6.3535   90.497   21.439   76.632   18.040 13.86514 28.01916 
1 1 1   19    7   30 o  102.053   13.344   28.100   5.8648   25.934   9.8963   29.272   7.2812   95.930   22.468  108.177   14.402 -12.24709 26.68795 
1 1 1   19    7   31 o   75.258   14.965   15.293   5.2001   16.780   9.3885   14.636   6.2456   76.672   23.753   73.844   18.211 2.828438 29.93062 
1 1 1   19    7   32 o   83.627   16.365   17.784   5.7836   25.282   12.269   15.642   6.5579   91.217   26.927   76.036   18.606 15.18165 32.72999 
1 1 1   19    7   33 o   40.956   12.858  -0.0602   4.6338  -8.0230   9.8667   2.1930   5.2486   40.891   19.367   41.021   16.918 -0.1304436 25.71571 
1 1 1   19    7   34 o   45.326   13.375   1.7926   5.3132 -17.6328   11.694   6.8453   5.9643   38.470   18.888   52.182   18.943 -13.71162 26.75035 
1 1 1   19    7   35 o   44.961   13.228   2.8879   4.7108  -0.8841   7.6499   5.1920   5.9790   41.768   18.771   48.155   18.645 -6.387138 26.45697 
1 1 1   19    7   36 o   54.997   15.416   6.9171   4.9870   4.8965   12.458   7.3027   5.4421   57.163   24.892   52.831   18.194 4.332161 30.83227 
1 1 1   19    7   37 o   81.047   12.819   15.394   4.9633   31.128   8.6223   7.5963   6.0698  108.302   17.035   53.792   19.161 54.51040 25.63864 
1 1 1   19    7   38 o   64.009   14.540   12.400   5.1276   8.6781   7.7947   15.239   6.8082   56.143   21.402   71.875   19.688 -15.73162 29.08013 
1 1 1   19    7   39 o   65.941   14.797   12.744   4.9193   16.277   8.4426   10.928   6.0529   71.107   22.596   60.775   19.112 10.33178 29.59500 
1 1 1   19    7   40 o   39.903   11.359   3.2178   3.1073   4.0224   3.5951   0.8415   6.1783   40.480   14.705   39.326   17.316 1.154305 22.71724 
1 1 1   19    7   41 o   32.696   10.211   0.4806   2.4812   0.5029   2.7502   0.3830   5.7525   28.037   11.944   37.355   16.564 -9.317589 20.42153 
1 1 1   19    7   42 o   36.706   10.739   2.2217   2.6565   2.2519   3.0243   2.1197   5.5585   33.757   13.207   39.655   16.939 -5.897984 21.47892 
1 1 1   19    7   43 f   54.480   12.816   8.4941   4.0585   4.4992   5.5824   12.973   5.9109   43.934   17.695   65.026   18.544 -21.09202 25.63140 
1 1 1   19    7   44 o   56.920   16.028   11.366   6.4849   13.419   8.9210   9.0641   9.4432   60.522   22.938   53.318   22.393 7.204163 32.05669 
1 1 1   19    8    0 f  121.705   7.3473   35.672   5.8110   35.672   5.8110   35.672   5.8110  121.705   10.391  121.705   10.391 -0.000000 0.000000 
1 1 1   19    8    1 o  106.141   7.2233   26.794   3.5799   28.300   5.0985   25.331   5.0278  109.121   9.9975  103.162   10.428 5.959480 14.44657 
1 1 1   19    8    2 o  198.846   10.035   96.125   9.1807   92.088   14.100   99.096   12.096  194.558   15.507  203.133   12.741 -8.574982 20.07037 
1 1 1   19    8    3 o  128.587   8.4781   39.642   5.0669   44.922   7.2404   34.575   7.0931  137.164   11.295  120.009   12.647 17.15450 16.95623 
1 1 1   19    8    4 o  142.128   11.356   42.951   6.4316   62.403   14.152   37.888   7.2203  158.537   19.101  125.719   12.289 32.81793 22.71266 
1 1 1   19    8    5 o   44.260   11.080   4.2152   2.6989   3.9329   5.0184   4.3302   3.2013   45.621   17.225   42.899   13.943 2.721859 22.16086 
1 1 1   19    8    6 o  129.460   8.6109   40.296   5.1738   45.970   7.3579   34.746   7.2765  138.716   11.350  120.203   12.953 18.51369 17.22187 
1 1 1   19    8    7 o   83.743   10.080   17.881   3.7134   13.547   5.5830   21.318   4.9729   73.020   16.720   94.467   11.264 -21.44678 20.16036 
1 1 1   19    8    8 o  162.079   10.225   63.825   7.7153   70.113   10.918   57.552   10.905  170.367   13.712  153.791   15.172 16.57599 20.45005 
1 1 1   19    8    9 o  156.817   13.916   67.826   8.0658   50.812   15.757   73.868   9.3892  137.955   25.374  175.679   11.436 -37.72346 27.83213 
1 1 1   19    8   10 o   88.077   14.023   20.123   5.3216   20.636   6.3316   18.888   9.8212   92.089   14.712   84.065   23.878 8.024086 28.04661 
1 1 1   19    8   11 o  118.064   16.330   36.752   8.7517   38.793   11.737   34.195   13.134  123.962   20.260  112.166   25.617 11.79580 32.66002 
1 1 1   19    8   12 o  162.601   17.066   71.123   11.602   64.370   20.017   74.540   14.237  151.900   29.258  173.302   17.579 -21.40182 34.13281 
1 1 1   19    8   13 o  131.281   11.917   42.583   7.3080   44.403   10.497   40.871   10.181  134.042   16.756  128.520   16.950 5.522491 23.83412 
1 1 1   19    8   14 o  229.232   13.521  131.932   14.169  133.277   22.469  131.045   18.255  228.483   21.042  229.981   16.985 -1.498077 27.04169 
1 1 1   19    8   15 o  177.117   12.632   81.274   9.9263   65.282   15.642   92.056   12.844  159.847   20.938  194.386   14.138 -34.53914 25.26444 
1 1 1   19    8   16 o  226.770   13.464  129.485   13.981  130.201   22.038  129.003   18.086  225.598   20.903  227.941   16.978 -2.342972 26.92879 
1 1 1   19    8   17 o  161.950   11.273   65.203   8.3466   62.078   13.023   67.382   10.873  157.646   17.677  166.255   13.994 -8.609589 22.54534 
1 1 1   19    8   18 o  141.477   11.527   51.262   7.2835   41.761   11.386   57.842   9.4758  128.590   18.946  154.363   13.135 -25.77338 23.05413 
1 1 1   19    8   19 o  120.937   11.363   36.628   6.1886   34.416   9.9904   38.005   7.8832  116.940   18.280  124.934   13.501 -7.994286 22.72555 
1 1 1   19    8   20 o  167.754   11.983   71.959   8.9976   62.764   14.348   77.918   11.551  156.917   19.565  178.591   13.840 -21.67453 23.96503 
1 1 1   19    8   21 o  130.804   11.208   41.994   6.6805   44.496   10.822   40.453   8.4917  133.146   17.391  128.462   14.144 4.684143 22.41671 
1 1 1   19    8   22 o  138.138   12.181   48.132   7.8196   43.760   11.241   52.232   10.885  131.412   18.303  144.864   16.078 -13.45180 24.36166 
1 1 1   19    8   23 o  104.924   12.015   27.525   5.6575   35.590   8.5342   21.201   7.5565  119.869   15.234   89.979   18.585 29.88992 24.03050 
1 1 1   19    8   24 o  156.408   12.809   65.532   8.6990   48.528   13.806   76.729   11.203  135.857   21.744  176.959   13.546 -41.10184 25.61785 
1 1 1   19    8   25 o   95.846   13.032   23.667   5.5780   26.921   8.6116   21.315   7.3215  101.325   18.880   90.368   17.969 10.95763 26.06387 
1 1 1   19    8   26 o  132.927   15.824   43.482   9.2296   32.065   11.327   66.042   15.922  107.777   23.176  158.077   21.552 -50.30024 31.64848 
1 1 1   19    8   27 o   64.129   18.665   7.9192   8.7482   9.2072   14.502   7.1823   10.969   67.494   28.002   60.764   24.687 6.729801 37.33008 
1 1 1   19    8   28 o   60.615   17.358   1.7283   7.1480   19.597   14.204  -4.3318   8.2718   80.675   29.241   40.555   18.715 40.11992 34.71697 
1 1 1   19    8   29 o   73.021   16.732   15.109   6.5172   15.344   9.4797   14.898   8.9745   73.435   23.999   72.607   23.321 0.8283234 33.46390 
1 1 1   19    8   30 o   97.032   13.838   24.775   5.8238   26.324   10.156   24.017   7.1087   96.544   22.862   97.519   15.598 -0.9750214 27.67591 
1 1 1   19    8   31 o   61.420   16.057   8.4277   5.0896   12.311   11.743   7.5296   5.6475   68.390   26.222   54.450   18.540 13.94022 32.11429 
1 1 1   19    8   32 o   63.322   16.574   7.8550   5.7196   18.403   11.948   4.7191   6.5145   77.763   26.948   48.882   19.304 28.88031 33.14858 
1 1 1   19    8   33 o   45.301   13.325   2.2280   5.0026  -4.7095   8.3128   6.1672   6.2639   39.565   18.430   51.037   19.250 -11.47134 26.65041 
1 1 1   19    8   34 o   49.728   14.438   3.5820   5.1882   8.8221   8.8832   0.8692   6.3916   58.366   22.690   41.090   17.861 17.27609 28.87673 
1 1 1   19    8   35 f   37.892   11.681  -2.0729   4.5490 -16.9044   8.4104   4.0603   5.4084   30.900   15.327   44.884   17.632 -13.98388 23.36210 
1 1 1   19    8   36 o   39.488   11.897   0.1000   4.2835  -8.4781   7.3678   4.4800   5.2648   33.459   16.088   45.518   17.531 -12.05976 23.79404 
1 1 1   19    8   37 o   43.502   13.873  -0.9132   4.8309   5.5156   10.547  -2.6200   5.4345   54.006   23.207   32.999   15.207 21.00645 27.74607 
1 1 1   19    8   38 o   68.677   13.898   15.185   5.0683   8.2815   8.5521   18.922   6.2923   55.251   22.023   82.104   16.960 -26.85272 27.79617 
1 1 1   19    8   39 o  104.824   15.424   35.124   7.5971   49.483   10.740   20.742   10.748  133.277   17.242   76.370   25.579 56.90631 30.84744 
1 1 1   19    8   40 o   56.865   15.915   9.8817   6.4913   12.416   8.0372   5.1272   11.008   61.883   22.048   51.846   22.956 10.03738 31.82953 
1 1 1   19    8   41 o   70.054   18.276   17.881   7.9293   13.374   10.501   23.858   12.094   62.161   24.521   77.948   27.106 -15.78725 36.55178 
1 1 1   19    8   42 o   76.089   17.911   20.342   7.2766   27.964   12.048   15.966   9.1297   84.825   26.998   67.354   23.544 17.47133 35.82174 
1 1 1   19    8   43 o   41.207   12.444  -2.1178   2.1486  -3.1635   2.2121   15.320   9.0332   17.954   8.6780   64.459   23.326 -46.50497 24.88769 
1 1 1   19    8   44 o   51.610   13.697   5.5646   3.3750   3.8858   3.6504   15.447   8.8569   39.159   14.711   64.061   23.110 -24.90190 27.39485 
1 1 1   19    9    0 o  179.971   9.9243   78.364   11.640   78.364   11.640   78.364   11.640  179.971   14.035  179.971   14.035 -0.000000 0.000000 
1 1 1   19    9    1 o  178.574   9.2136   76.810   7.6881   75.679   10.909   77.926   10.836  177.210   13.172  179.939   12.886 -2.728943 18.42723 
1 1 1   19    9    2 o  157.258   10.111   59.288   7.3319   56.182   9.5188   63.819   11.497  152.611   13.346  161.904   15.194 -9.293015 20.22300 
1 1 1   19    9    3 o   78.963   9.7307   15.038   3.4932   13.450   4.5871   17.231   5.3894   73.487   13.865   84.440   13.657 -10.95304 19.46134 
1 1 1   19    9    4 o  121.692   9.6754   37.184   5.2375   30.158   8.2857   41.860   6.7592  111.004   15.972  132.381   10.925 -21.37749 19.35080 
1 1 1   19    9    5 o   82.082   13.271   18.790   5.0683   10.617   8.4569   23.372   6.3313   65.901   22.681   98.263   13.787 -32.36284 26.54254 
1 1 1   19    9    6 o  130.198   13.515   47.969   6.3696   33.479   12.628   52.913   7.3767  111.511   24.865  148.884   10.602 -37.37318 27.03091 
1 1 1   19    9    7 o  217.514   17.063  126.298   15.921  112.561   27.556  133.181   19.507  203.496   28.975  231.532   18.028 -28.03569 34.12529 
1 1 1   19    9    8 o  220.166   19.196  140.392   16.617  100.404   28.692  160.572   20.383  185.475   34.366  254.856   17.113 -69.38046 38.39124 
1 1 1   19    9    9 o  285.039   22.845  224.500   28.725  213.648   35.135  246.374   49.882  282.906   26.574  287.173   37.167 -4.267731 45.68977 
1 1 1   19    9   10 o  177.399   13.216   74.736   9.6414   70.422   11.120   87.804   19.352  170.229   13.977  184.570   22.435 -14.34117 26.43251 
1 1 1   19    9   11 o  139.723   11.338   47.926   7.3922   44.536   10.178   51.709   10.754  134.436   16.200  145.011   15.868 -10.57458 22.67666 
1 1 1   19    9   12 o  169.346   15.834   72.840   11.708   77.733   20.746   70.553   14.182  170.614   26.018  168.078   18.055 2.535645 31.66881 
1 1 1   19    9   13 o  174.540   13.829   72.553   10.010   87.316   19.916   67.563   11.579  182.957   23.292  166.124   14.914 16.83229 27.65779 
1 1 1   19    9   14 o  124.233   11.214   39.140   6.2671   32.557   9.7166   43.830   8.2010  113.981   18.241  134.486   13.048 -20.50500 22.42700 
1 1 1   19    9   15 o  159.686   11.405   64.770   8.1884   54.508   12.769   71.938   10.672  147.229   18.558  172.142   13.265 -24.91312 22.81086 
1 1 1   19    9   16 o   68.926   13.465   12.206   4.4500   14.038   6.8301   10.854   5.8659   73.106   19.593   64.747   18.476 8.358475 26.93038 
1 1 1   19    9   17 o  143.424   12.293   51.332   8.1468   42.018   11.244   61.623   11.820  129.043   18.645  157.804   16.027 -28.76088 24.58633 
1 1 1   19    9   18 o  234.951   13.777  141.673   14.730  134.334   23.182  146.643   19.076  227.354   21.817  242.548   16.828 -15.19405 27.55343 
1 1 1   19    9   19 o  153.754   11.158   58.498   7.9025   59.051   12.254   58.104   10.340  153.631   17.067  153.877   14.378 -0.2454681 22.31627 
1 1 1   19    9   20 o   89.374   13.861   21.327   5.6477   24.898   7.8218   17.438   8.1632   98.287   17.678   80.461   21.354 17.82616 27.72212 
1 1 1   19    9   21 o   86.158   13.094   19.125   5.2724   26.401   7.7250   12.779   7.2138  102.957   16.055   69.360   20.689 33.59682 26.18723 
1 1 1   19    9   22 o  161.312   12.074   65.529   9.0847   63.358   13.097   67.543   12.612  158.306   17.702  164.319   16.423 -6.013062 24.14721 
1 1 1   19    9   23 o  156.651   13.028   62.564   9.5303   65.276   13.496   59.866   13.459  160.326   18.012  152.975   18.826 7.350998 26.05508 
1 1 1   19    9   24 o  166.333   13.274   71.205   10.158   85.448   14.490   57.442   14.244  184.213   16.831  148.452   20.531 35.76154 26.54810 
1 1 1   19    9   25 o  175.239   12.112   77.724   9.6189   77.988   15.564   77.561   12.235  173.767   19.165  176.711   14.815 -2.943817 24.22393 
1 1 1   19    9   26 o  146.757   14.133   58.155   9.1270   45.653   13.400   68.974   12.465  128.297   23.203  165.217   16.144 -36.92036 28.26656 
1 1 1   19    9   27 o  145.379   17.407   54.408   11.827   0.0000   0.0000   54.408   11.827  ?   ?   145.379   17.407      ?      ? 
1 1 1   19    9   28 o  103.998   18.600   30.160   8.4182   38.126   15.689   26.939   9.9758  110.013   29.785   97.983   22.288 12.03017 37.20030 
1 1 1   19    9   29 o   44.290   14.247  -2.7878   6.4320  -8.7804   11.017   0.3108   7.9223   43.436   20.541   45.143   19.749 -1.707062 28.49446 
1 1 1   19    9   30 o  109.461   21.370   33.085   10.540   0.0000   0.0000   33.085   10.540  ?   ?   109.461   21.370      ?      ? 
1 1 1   19    9   31 o   67.863   15.301   14.078   6.0110   1.2471   12.634   17.832   6.8340   54.760   24.400   80.967   18.469 -26.20764 30.60184 
1 1 1   19    9   32 o   48.336   15.211   2.1040   5.5546  -4.7966   14.787   3.2377   5.9935   52.151   24.388   44.521   18.186 7.629974 30.42246 
1 1 1   19    9   33 o   48.654   14.797   2.9027   6.0533   0.6314   9.7193   4.3419   7.7370   47.913   21.372   49.396   20.470 -1.482212 29.59326 
1 1 1   19    9   34 o  160.368   13.318   67.963   9.7750   89.435   14.990   52.077   12.894  183.412   17.488  137.325   20.090 46.08763 26.63515 
1 1 1   19    9   35 o   63.050   15.623   11.297   5.4967   9.7015   10.335   11.926   6.4909   61.186   24.266   64.914   19.684 -3.728031 31.24566 
1 1 1   19    9   36 o   77.110   20.790   18.648   9.5710   33.193   18.022   12.935   11.296   89.240   32.847   64.980   25.495 24.26044 41.58027 
1 1 1   19    9   37 o  104.165   18.994   38.154   9.2841   39.731   11.876   35.676   14.888  112.337   23.382   95.992   29.939 16.34555 37.98748 
1 1 1   19    9   38 o   97.903   18.265   34.250   8.5288   36.637   10.653   29.988   14.235  109.220   21.634   86.585   29.434 22.63440 36.52988 
1 1 1   19    9   39 o   57.517   16.300   10.153   6.7172   11.746   8.3394   7.2105   11.335   60.474   22.329   54.559   23.751 5.915085 32.59912 
1 1 1   19    9   40 o   66.450   17.282   15.063   6.7731   13.232   8.3145   18.677   11.678   63.064   22.430   69.835   26.297 -6.770485 34.56335 
1 1 1   19    9   41 o   83.500   14.964   26.418   7.0304   9.4868   12.793   33.744   8.4148   57.137   25.043  109.864   16.389 -52.72759 29.92886 
1 1 1   19    9   42 o   90.934   17.726   31.347   7.6729   30.280   14.058   31.800   9.1572   81.340   29.141  100.527   20.192 -19.18646 35.45284 
1 1 1   19    9   43 o   51.156   13.995   8.0976   4.7229   8.9070   7.2206   7.4923   6.2437   52.609   20.456   49.703   19.105 2.905670 27.99006 
1 1 1   19   10    0 o  164.400   12.131   66.965   12.852   66.965   12.852   66.965   12.852  164.400   17.155  164.400   17.155 -0.000000 0.000000 
1 1 1   19   10    1 o  101.012   9.4500   24.699   4.4587   23.709   6.2855   25.703   6.3259   98.912   13.597  103.112   13.127 -4.199913 18.89995 
1 1 1   19   10    2 o  131.477   10.493   42.152   6.4450   40.827   8.9774   43.560   9.2583  129.342   14.851  133.611   14.827 -4.269440 20.98556 
1 1 1   19   10    3 o  114.000   12.816   32.805   6.1966   32.883   7.5553   32.644   10.831  116.379   13.891  111.622   21.542 4.757683 25.63237 
1 1 1   19   10    4 o  133.434   10.140   43.410   6.2995   39.073   8.8742   47.814   8.9438  126.447   15.017  140.421   13.629 -13.97341 20.27915 
1 1 1   19   10    5 f  148.046   10.080   53.490   6.8390   54.147   8.8886   52.537   10.707  149.773   12.699  146.320   15.657 3.453705 20.15934 
1 1 1   19   10    6 o  221.421   11.996  122.545   12.093  127.485   15.674  115.280   19.009  228.552   14.675  214.291   18.981 14.26089 23.99175 
1 1 1   19   10    7 o  160.422   9.1736   62.840   6.7215   65.448   8.7521   59.089   10.495  165.160   11.339  155.683   14.424 9.477219 18.34729 
1 1 1   19   10    8 o   95.108   12.460   22.780   5.3377   15.624   7.2488   31.257   7.8892   77.179   19.951  113.037   14.934 -35.85756 24.92093 
1 1 1   19   10    9 o  110.489   11.527   30.265   5.9174   31.770   8.0940   28.537   8.6730  113.834   15.214  107.145   17.320 6.689011 23.05356 
1 1 1   19   10   10 o  253.690   23.573  190.860   24.432  203.339   29.950  166.039   42.241  279.616   22.919  227.764   41.200 51.85265 47.14602 
1 1 1   19   10   11 o  229.360   14.226  134.190   15.071  111.394   21.135  157.776   21.498  207.893   21.753  250.827   18.339 -42.93416 28.45224 
1 1 1   19   10   12 o  182.538   17.237   88.495   13.553   86.103   23.890   89.630   16.457  176.330   28.990  188.747   18.657 -12.41736 34.47480 
1 1 1   19   10   13 o  126.635   15.658   42.700   8.3506   40.075   14.594   43.977   10.182  120.004   26.710  133.266   16.348 -13.26218 31.31595 
1 1 1   19   10   14 o  113.473   11.787   31.928   6.2283   28.474   8.6309   35.681   8.9969  106.826   17.288  120.121   16.026 -13.29530 23.57333 
1 1 1   19   10   15 o   74.976   13.830   14.858   5.0371   10.364   7.1590   19.264   7.0884   63.757   20.857   86.195   18.169 -22.43819 27.66083 
1 1 1   19   10   16 o  160.844   12.320   64.837   9.2293   58.561   12.952   71.310   13.155  152.453   18.179  169.235   16.632 -16.78178 24.63908 
1 1 1   19   10   17 o  131.699   12.005   43.415   7.3768   45.833   10.393   40.960   10.472  135.692   16.389  127.705   17.546 7.986832 24.00964 
1 1 1   19   10   18 o  112.156   15.568   35.467   7.5029   40.141   9.3308   26.915   12.620  127.225   15.693   97.087   26.891 30.13874 31.13536 
1 1 1   19   10   19 o   82.679   13.376   17.654   5.3162   25.265   7.7541   10.905   7.3026  100.554   16.500   64.804   21.058 35.75033 26.75276 
1 1 1   19   10   20 o   91.616   13.132   21.383   5.5192   28.572   8.2842   15.644   7.4008  106.819   16.594   76.414   20.358 30.40578 26.26406 
1 1 1   19   10   21 o  146.921   11.744   54.578   7.9750   49.725   11.795   58.664   10.824  139.957   18.033  153.885   15.050 -13.92854 23.48824 
1 1 1   19   10   22 o  174.422   12.461   76.820   10.073   90.457   14.667   64.643   13.859  189.846   16.530  158.998   18.650 30.84805 24.92160 
1 1 1   19   10   23 o  109.932   12.670   30.350   6.3070   36.184   9.9105   26.380   8.1764  119.262   17.781  100.602   18.054 18.65992 25.33967 
1 1 1   19   10   24 o   64.550   11.909   11.182   4.9057  -4.8434   8.4155   19.431   6.0377   40.682   18.810   88.418   14.611 -47.73570 23.81788 
1 1 1   19   10   25 o   49.860   13.402   2.8310   4.0946   11.017   7.8949  -0.1812   4.7890   64.306   21.920   35.414   15.427 28.89167 26.80473 
1 1 1   19   10   26 f   81.187   13.881   19.521   5.6554   9.0334   9.2239   25.839   7.1589   61.076   23.282  101.297   15.122 -40.22036 27.76189 
1 1 1   19   10   27 o  110.035   17.119   36.324   7.8030   29.869   15.330   38.580   9.0651   96.572   30.424  123.497   15.706 -26.92535 34.23867 
1 1 1   19   10   28 o   70.582   19.819   13.609   6.8063   0.0000   0.0000   13.609   6.8063  ?   ?    70.582   19.819      ?      ? 
1 1 1   19   10   29 o  113.142   16.100   32.171   7.5615   47.390   14.578   26.569   8.8443  127.529   25.352   98.755   19.852 28.77408 32.19943 
1 1 1   19   10   30 o   63.068   25.846   9.0985   12.155   9.0985   12.155   0.0000   0.0000   63.068   25.846  ?   ?       ?      ? 
1 1 1   19   10   31 o   62.784   23.066   10.985   8.8811   10.985   8.8811   0.0000   0.0000   62.784   23.066  ?   ?       ?      ? 
1 1 1   19   10   32 f   49.108   15.266   1.4369   6.6788  -0.9804   8.6987   4.9082   10.424   44.047   19.885   54.169   23.169 -10.12169 30.53209 
1 1 1   19   10   33 o   64.999   17.021   10.199   7.0752   3.9643   9.1059   19.698   11.239   51.315   21.794   78.684   26.152 -27.36895 34.04259 
1 1 1   19   10   34 o   52.114   21.717   4.9401   8.7785   4.9401   8.7785   0.0000   0.0000   52.114   21.717  ?   ?       ?      ? 
1 1 1   19   10   35 o  110.249   16.213   38.953   8.5046   56.346   11.858   20.529   12.204  143.638   17.664   76.860   27.192 66.77743 32.42599 
1 1 1   19   10   36 o   52.907   15.144   5.8462   5.8068   11.844   9.3056   2.0212   7.4311   61.759   23.422   44.055   19.203 17.70430 30.28821 
1 1 1   19   10   37 o   51.559   13.263   7.3733   4.8938  -7.6140   10.687   11.350   5.5048   40.781   19.547   62.336   17.933 -21.55457 26.52684 
1 1 1   19   10   38 o   66.402   15.603   13.333   5.3977   18.847   9.4464   10.661   6.5771   73.843   23.948   58.961   20.008 14.88225 31.20626 
1 1 1   19   10   39 o   43.519   13.185   2.8200   4.9561  -4.1073   9.2135   5.6406   5.8791   40.011   18.879   47.027   18.410 -7.016743 26.36944 
1 1 1   19   10   40 o   52.616   14.489   7.8030   5.0184   9.2390   8.1014   6.9090   6.3926   55.214   21.612   50.017   19.303 5.196976 28.97739 
1 1 1   19   10   41 o   51.977   15.165   4.6600   7.0414  -8.6445   10.389   15.966   9.5768   38.271   18.571   65.683   23.979 -27.41124 30.32971 
1 1 1   19   10   42 f   48.364   15.752   3.1967   7.8205   8.1542   13.234   0.5364   9.6943   53.266   24.237   43.461   20.127 9.804359 31.50456 
1 1 1   19   11    0 o  166.447   18.242   73.185   18.633   73.185   18.633   73.185   18.633  166.447   25.798  166.447   25.798 -0.000000 0.000000 
1 1 1   19   11    1 o   84.147   13.924   17.229   5.4759   17.229   5.4759   0.0000   0.0000   84.147   13.924  ?   ?       ?      ? 
1 1 1   19   11    2 o   69.732   15.557   12.371   4.9411   12.371   4.9411   0.0000   0.0000   69.732   15.557  ?   ?       ?      ? 
1 1 1   19   11    3 o   38.919   9.3753   1.2231   2.7151   7.1262   3.7108  -5.5782   3.9831   53.154   14.525   24.684   11.858 28.47012 18.75055 
1 1 1   19   11    4 o   97.771   9.8615   24.583   4.1644   30.191   5.6026   17.659   6.2253  112.300   10.675   83.242   16.584 29.05877 19.72302 
1 1 1   19   11    5 o   34.768   9.8386   1.5457   2.4169   2.1186   3.6071   1.0790   3.2559   36.783   14.415   32.752   13.394 4.031799 19.67715 
1 1 1   19   11    6 o   50.425   12.461   6.0743   3.5011   7.3313   3.9710   1.6851   7.4202   53.879   15.142   46.972   19.796 6.907314 24.92255 
1 1 1   19   11    7 o  133.358   11.516   40.602   6.3884   36.923   7.3664   51.768   12.831  123.521   12.761  143.195   19.173 -19.67423 23.03150 
1 1 1   19   11    8 o  131.527   10.540   33.597   5.6748   25.144   6.4074   64.351   12.221  101.715   13.479  161.340   16.208 -59.62572 21.08049 
1 1 1   19   11    9 o  120.396   13.773   35.747   6.2237   34.627   7.0274   39.821   13.401  119.645   12.568  121.147   24.511 -1.502007 27.54553 
1 1 1   19   11   10 o   74.922   14.858   15.124   4.6505   15.712   5.1000   12.225   11.329   79.130   14.318   70.714   26.040 8.415390 29.71686 
1 1 1   19   11   11 o  133.715   27.526   50.072   16.628   50.072   16.628   0.0000   0.0000  133.715   27.526  ?   ?       ?      ? 
1 1 1   19   11   12 o  156.420   14.459   59.285   10.112   75.069   17.677   51.608   12.328  169.749   22.282  143.091   18.434 26.65831 28.91876 
1 1 1   19   11   13 o  161.237   17.805   73.575   11.662   60.560   20.403   79.889   14.212  143.570   31.292  178.904   16.997 -35.33427 35.61040 
1 1 1   19   11   14 o   81.869   16.399   19.413   6.5335   12.448   12.438   22.067   7.6780   71.608   27.098   92.130   18.475 -20.52213 32.79723 
1 1 1   19   11   15 o   83.575   17.116   18.286   7.2761   27.127   11.167   11.762   9.5918   99.052   24.304   68.098   24.105 30.95419 34.23109 
1 1 1   19   11   16 o  171.325   15.720   75.809   12.006   72.786   14.829   81.560   20.456  169.176   18.756  173.475   25.232 -4.298325 31.43920 
1 1 1   19   11   17 o  135.208   12.355   45.946   7.7969   49.182   11.330   43.035   10.746  139.793   17.342  130.623   17.603 9.170120 24.71063 
1 1 1   19   11   18 o   91.827   16.004   23.551   6.7704   25.518   8.6652   20.467   10.848   98.389   19.534   85.266   25.356 13.12344 32.00759 
1 1 1   19   11   19 o   95.425   15.757   25.089   6.7698   26.051   8.5948   23.517   10.988   99.559   19.168   91.291   25.014 8.267380 31.51309 
1 1 1   19   11   20 o   74.685   16.653   13.149   6.2886   8.6721   7.6029   22.846   11.189   59.753   21.428   89.617   25.499 -29.86345 33.30691 
1 1 1   19   11   21 o  102.538   16.474   30.111   7.5498   32.965   9.2431   24.391   13.087  114.089   17.335   90.987   28.019 23.10213 32.94851 
1 1 1   19   11   22 o   79.448   16.886   17.102   6.5334   15.415   8.0739   20.303   11.120   74.942   21.764   83.954   25.824 -9.012238 33.77235 
1 1 1   19   11   23 o   90.069   16.267   20.599   6.8238   13.675   8.4233   33.821   11.639   70.407   22.591  109.731   23.410 -39.32428 32.53310 
1 1 1   19   11   24 o   90.931   16.672   24.971   7.2851   29.177   9.1739   17.791   11.987  104.080   19.579   77.782   26.990 26.29836 33.34304 
1 1 1   19   11   25 o   69.119   15.342   13.004   6.5708   21.197   8.4510   0.4808   10.449   87.487   20.947   50.751   22.423 36.73607 30.68497 
1 1 1   19   11   26 o   49.296   15.256  -1.4082   6.8574   6.5533   10.519  -7.2914   9.0428   58.769   24.060   39.822   18.764 18.94674 30.51143 
1 1 1   19   11   27 o   68.392   25.131   12.647   10.543   0.0000   0.0000   12.647   10.543  ?   ?    68.392   25.131      ?      ? 
1 1 1   19   11   29 o   45.356   19.687   1.2630   7.7432   1.2630   7.7432   0.0000   0.0000   45.356   19.687  ?   ?       ?      ? 
1 1 1   19   11   30 o  106.451   29.373   38.447   15.090   38.447   15.090   0.0000   0.0000  106.451   29.373  ?   ?       ?      ? 
1 1 1   19   11   31 o   77.520   17.303   16.129   7.2297   8.3048   9.0032   30.335   12.131   57.602   22.710   97.438   26.111 -39.83614 34.60558 
1 1 1   19   11   32 o   64.091   23.082   11.678   8.8311   11.678   8.8311   0.0000   0.0000   64.091   23.082  ?   ?       ?      ? 
1 1 1   19   11   33 o   72.236   16.896   15.732   6.6907   19.412   9.8647   12.597   9.1050   78.975   24.328   65.496   23.453 13.47985 33.79216 
1 1 1   19   11   34 o  106.950   14.600   32.935   6.8708   34.728   11.430   31.920   8.5976  105.351   23.778  108.548   16.948 -3.196419 29.19993 
1 1 1   19   11   35 o   58.316   13.885   10.496   4.9861   2.4438   9.1830   13.863   5.9376   47.553   21.015   69.079   18.154 -21.52574 27.77079 
1 1 1   19   11   36 o   55.544   14.923   8.9909   5.6027   3.9418   9.5573   11.635   6.9157   49.524   21.677   61.564   20.517 -12.04044 29.84689 
1 1 1   19   11   37 o   71.569   15.458   18.938   6.8300   3.8796   13.008   24.669   8.0252   52.569   23.962   90.568   19.534 -37.99931 30.91536 
1 1 1   19   11   38 o   59.904   15.206   11.749   5.7383   6.7399   9.4657   14.660   7.2153   52.155   22.187   67.653   20.801 -15.49799 30.41248 
1 1 1   19   11   39 o   77.428   15.479   19.576   5.9236   23.881   8.6816   15.826   8.1028   86.099   21.609   68.758   22.167 17.34171 30.95716 
1 1 1   19   11   40 o   76.576   15.485   19.581   5.8496   23.939   8.7858   16.111   7.8400   84.463   22.028   68.688   21.769 15.77474 30.97012 
1 1 1   19   11   41 o   54.439   15.457   9.7838   5.7270   9.3448   11.330   9.9344   6.6375   53.864   23.589   55.014   19.981 -1.149574 30.91416 
1 1 1   19   12    0 o   30.916   11.603   3.3306   3.1946   3.3306   3.1946   3.3306   3.1946   30.916   16.410   30.916   16.410 -0.000000 0.000000 
1 1 1   19   12    1 o  107.648   9.1061   27.463   4.5065   24.839   5.7776   31.539   7.2014  101.429   12.188  113.866   13.533 -12.43764 18.21220 
1 1 1   19   12    2 o   82.723   11.079   16.829   4.1693   13.567   5.5420   21.083   6.3285   72.651   16.675   92.796   14.592 -20.14536 22.15874 
1 1 1   19   12    3 o   87.929   9.0849   18.543   3.7078   20.394   5.6616   17.153   4.9063   91.639   13.220   84.219   12.465 7.420059 18.16977 
1 1 1   19   12    4 o   77.869   9.6655   14.888   3.3981   15.561   5.2642   14.407   4.4492   78.533   14.888   77.206   12.331 1.327118 19.33106 
1 1 1   19   12    5 o   73.517   10.776   13.432   3.4946   15.026   5.7191   12.483   4.4146   76.574   16.470   70.460   13.900 6.113541 21.55154 
1 1 1   19   12    6 o  155.527   11.263   59.846   8.1567   53.785   11.443   66.105   11.629  147.125   16.643  163.930   15.180 -16.80450 22.52563 
1 1 1   19   12    7 o  246.074   15.324  156.829   17.621  159.109   24.904  154.543   24.936  248.076   21.480  244.071   21.861 4.004913 30.64822 
1 1 1   19   12    8 o  123.876   14.050   40.508   7.3660   42.599   9.1074   36.554   12.525  131.697   14.797  116.054   23.889 15.64266 28.10016 
1 1 1   19   12    9 o   67.755   12.293   8.0224   4.6623  -0.8251   5.7845   24.427   7.8766   38.149   16.777   97.361   17.973 -59.21207 24.58633 
1 1 1   19   12   10 o  144.569   13.510   48.451   8.6686   38.776   10.446   69.854   15.536  124.081   18.013  165.057   20.140 -40.97672 27.02065 
1 1 1   19   12   11 o  249.731   19.048  161.406   21.295  137.734   25.985  209.818   37.160  226.733   24.522  272.730   29.154 -45.99683 38.09571 
1 1 1   19   12   12 o  198.165   23.036  116.747   20.266   89.737   28.528  144.262   28.794  167.538   37.384  228.793   26.929 -61.25529 46.07287 
1 1 1   19   12   13 o  164.126   27.106   74.581   20.791   74.581   20.791   0.0000   0.0000  164.126   27.106  ?   ?       ?      ? 
1 1 1   19   12   14 o  118.691   19.466   41.001   10.726   31.581   15.450   49.764   14.902  102.750   30.184  134.632   24.590 -31.88249 38.93238 
1 1 1   19   12   15 o   99.695   19.122   29.375   9.5510   37.369   12.885   19.628   14.229  116.211   24.497   83.178   29.368 33.03266 38.24407 
1 1 1   19   12   16 o  182.184   21.646   97.199   17.804   82.380   24.980  112.499   25.383  163.467   33.814  200.900   27.034 -37.43275 43.29245 
1 1 1   19   12   17 o  225.253   26.413  162.682   26.756  137.332   37.645  188.558   38.034  199.657   41.690  250.848   32.443 -51.19144 52.82619 
1 1 1   19   12   18 o  104.388   19.469   31.864   9.6500   33.606   13.393   29.984   13.917  108.053   26.680  100.722   28.360 7.331017 38.93729 
1 1 1   19   12   19 o   97.399   17.286   26.202   7.5816   24.882   9.3679   28.709   12.908   95.664   21.479   99.134   27.090 -3.469986 34.57180 
1 1 1   19   12   20 o  137.979   18.134   48.824   11.694   48.824   11.694   0.0000   0.0000  137.979   18.134  ?   ?       ?      ? 
1 1 1   19   12   21 o  164.361   18.618   70.099   14.301   70.099   14.301   0.0000   0.0000  164.361   18.618  ?   ?       ?      ? 
1 1 1   19   12   22 o  112.553   17.504   32.649   9.2073   32.649   9.2073   0.0000   0.0000  112.553   17.504  ?   ?       ?      ? 
1 1 1   19   12   23 o  122.683   17.271   44.488   9.1246   48.419   11.290   37.084   15.494  136.888   17.648  108.478   29.694 28.40965 34.54261 
1 1 1   19   12   24 o  101.999   16.200   34.685   7.7526   14.263   14.330   43.134   9.2181   72.974   28.690  131.023   15.054 -58.04939 32.39944 
1 1 1   19   12   25 o  169.690   18.824   84.918   13.020   77.481   23.098   88.382   15.762  154.997   32.905  184.384   18.292 -29.38672 37.64704 
1 1 1   19   12   26 o  144.030   20.992   66.004   13.841   49.607   20.256   80.367   18.958  119.230   34.429  168.830   24.027 -49.60023 41.98376 
1 1 1   19   12   27 o   62.896   16.908   7.1448   6.5670   19.235   12.185   2.1958   7.7961   78.802   27.220   46.989   20.066 31.81236 33.81639 
1 1 1   19   12   28 o   56.683   16.123   5.3291   5.7387   13.882   11.751   2.6503   6.5763   68.697   26.257   44.668   18.720 24.02844 32.24682 
1 1 1   19   12   29 o   92.349   14.535   24.457   6.0380   24.613   9.4262   24.349   7.8628   91.021   22.328   93.676   18.616 -2.654694 29.07039 
1 1 1   19   12   30 o  132.251   16.911   53.299   9.7304   59.719   12.587   43.764   15.339  149.183   18.053  115.318   28.602 33.86543 33.82273 
1 1 1   19   12   31 o   83.848   16.639   21.133   6.8333   17.780   9.3878   24.912   9.9654   76.512   23.760   91.184   23.299 -14.67280 33.27703 
1 1 1   19   12   32 o   45.682   13.418   3.2587   4.5275   4.7682   7.6639   2.4495   5.6114   49.671   20.459   41.693   17.368 7.978859 26.83667 
1 1 1   19   12   33 o   45.747   14.732   0.0444   6.6484   1.7900   7.9164  -4.1335   12.247   44.882   19.685   46.613   21.924 -1.730804 29.46480 
1 1 1   19   12   34 f   73.593   17.368   19.677   7.8838   24.885   9.6006   8.8937   13.815   88.016   23.062   59.170   25.977 28.84626 34.73679 
1 1 1   19   12   35 o   81.217   18.052   25.006   8.1328   28.310   9.8316   17.844   14.474   94.088   22.634   68.345   28.129 25.74338 36.10479 
1 1 1   19   12   36 o   73.771   15.779   17.882   5.8762   19.321   8.8239   16.736   7.8770   75.808   22.942   71.735   21.669 4.072220 31.55780 
1 1 1   19   12   37 o   95.931   15.142   29.072   6.6211   31.111   9.4737   27.125   9.2573   99.937   20.953   91.926   21.866 8.010765 30.28492 
1 1 1   19   12   38 o   49.518   14.334   6.0666   5.2270   7.9878   8.0564   4.6700   6.8689   52.878   21.271   46.157   19.221 6.721256 28.66879 
1 1 1   19   12   39 f   45.996   15.115  -0.4430   7.7718  -5.6220   10.283   6.4567   11.869   39.949   19.155   52.042   23.386 -12.09295 30.22909 
1 1 1   19   12   40 o   42.044   13.048   2.6963   4.8220   3.6216   7.7076   2.1012   6.1810   44.284   19.423   39.805   17.428 4.479481 26.09557 
1 1 1   19   13    0 o   81.086   9.1672   16.759   4.5365   16.759   4.5365   16.759   4.5365   81.086   12.964   81.086   12.964 -0.000000 0.000000 
1 1 1   19   13    1 o  132.275   9.5861   41.744   5.7761   38.699   7.2858   46.894   9.4769  126.409   12.333  138.142   14.679 -11.73319 19.17211 
1 1 1   19   13    2 o  173.875   9.3525   73.673   7.5929   76.255   10.660   71.013   10.818  177.154   12.875  170.596   13.568 6.557693 18.70494 
1 1 1   19   13    3 o   99.835   8.1974   24.138   3.8074   26.257   5.3265   21.923   5.4443  104.515   10.905   95.155   12.242 9.359749 16.39484 
1 1 1   19   13    4 o  165.231   8.5187   66.081   6.5737   68.169   9.2434   63.944   9.3508  168.000   11.773  162.462   12.316 5.538467 17.03748 
1 1 1   19   13    5 o  144.223   8.2792   50.225   5.5745   47.251   7.8198   53.298   7.9488  139.776   11.971  148.669   11.440 -8.893112 16.55836 
1 1 1   19   13    6 f  165.212   11.146   69.304   8.2537   74.961   10.603   60.606   13.148  175.537   12.925  154.886   18.163 20.65155 22.29272 
1 1 1   19   13    7 o  101.959   9.6186   24.330   4.4736   18.584   5.7344   33.265   7.1508   87.061   14.094  116.856   13.094 -29.79434 19.23721 
1 1 1   19   13    8 o   87.200   9.9610   18.189   3.9600   16.670   4.9953   20.759   6.4965   82.750   12.917   91.649   15.167 -8.899582 19.92198 
1 1 1   19   13    9 o  177.156   13.217   72.425   9.6425   64.859   11.040   96.770   19.802  162.305   14.554  192.007   22.067 -29.70186 26.43442 
1 1 1   19   13   10 f   81.470   14.294   18.042   4.9382   18.831   5.6214   15.375   10.336   87.684   13.718   75.255   25.082 12.42889 28.58803 
1 1 1   19   13   11 o  164.746   15.284   69.385   11.232   65.419   13.825   77.085   19.264  160.407   18.442  169.084   24.379 -8.676758 30.56815 
1 1 1   19   13   12 o  194.649   16.929   98.981   14.578  111.175   25.437   93.017   17.790  199.536   27.277  189.761   20.059 9.774841 33.85864 
1 1 1   19   13   13 o  126.857   14.308   38.843   8.0669   51.573   14.368   32.983   9.7483  139.869   21.981  113.845   18.322 26.02387 28.61549 
1 1 1   19   13   14 o  156.244   17.827   61.920   13.017   61.920   13.017   0.0000   0.0000  156.244   17.827  ?   ?       ?      ? 
1 1 1   19   13   15 o  180.433   13.704   84.296   11.444   72.646   16.282   95.673   16.089  166.671   20.902  194.195   17.728 -27.52345 27.40772 
1 1 1   19   13   16 o  174.392   15.831   76.987   12.371   67.430   15.142   96.166   21.451  161.000   20.124  187.783   24.443 -26.78294 31.66142 
1 1 1   19   13   17 o  134.988   19.917   53.339   12.159   51.534   17.093   55.189   17.300  132.285   28.490  137.691   27.840 -5.406815 39.83428 
1 1 1   19   13   18 o  107.413   20.472   35.253   10.560   38.459   14.722   31.854   15.156  113.542   27.935  101.285   29.936 12.25755 40.94495 
1 1 1   19   13   19 o   78.442   15.210   18.954   6.0862   8.5504   11.302   23.204   7.2230   62.695   25.203   94.190   17.036 -31.49566 30.42047 
1 1 1   19   13   20 o  100.068   16.201   32.116   7.5106   16.810   13.581   38.860   9.0147   76.163   28.421  123.973   15.559 -47.81030 32.40112 
1 1 1   19   13   21 o   61.766   24.469   8.6473   10.498   8.6473   10.498   0.0000   0.0000   61.766   24.469  ?   ?       ?      ? 
1 1 1   19   13   22 o  183.401   33.811  108.771   27.912   0.0000   0.0000  108.771   27.912  ?   ?   183.401   33.811      ?      ? 
1 1 1   19   13   23 o   81.487   15.891   19.586   6.0704   15.347   11.549   21.204   7.1356   73.493   26.403   89.481   17.690 -15.98817 31.78183 
1 1 1   19   13   24 o   68.775   16.435   13.693   6.5114   6.9071   11.895   16.597   7.7807   60.565   25.263   76.986   21.030 -16.42160 32.87046 
1 1 1   19   13   25 o   88.048   14.929   22.436   6.2423   28.813   8.5962   15.322   9.0796  103.461   18.455   72.636   23.470 30.82452 29.85710 
1 1 1   19   13   26 o  152.936   17.881   70.964   11.792   76.307   15.090   62.584   18.898  167.903   19.231  137.968   30.151 29.93509 35.76215 
1 1 1   19   13   27 o   94.979   17.621   30.290   7.7027   22.360   16.657   32.447   8.6874   79.179   30.990  110.779   16.780 -31.60046 35.24146 
1 1 1   19   13   28 o  122.538   17.203   41.947   8.6554   53.048   16.913   38.008   10.075  126.328   29.227  118.749   18.153 7.579002 34.40582 
1 1 1   19   13   29 o   67.967   16.120   13.518   6.0719   11.826   8.6065   15.194   8.5674   64.365   22.828   71.570   22.765 -7.205421 32.23920 
1 1 1   19   13   30 o   85.865   13.778   20.009   5.3923   27.659   8.5171   14.891   6.9664   99.744   18.964   71.987   19.993 27.75710 27.55681 
1 1 1   19   13   31 o   87.436   14.332   23.544   5.8032   17.595   9.6083   26.960   7.2814   73.829   24.163  101.042   15.419 -27.21311 28.66391 
1 1 1   19   13   32 o   63.548   15.012   12.597   5.3067   10.218   8.6649   14.025   6.7129   58.784   22.528   68.312   19.847 -9.528324 30.02332 
1 1 1   19   13   33 f   57.241   14.910   9.4284   5.1012   11.330   8.4701   8.3462   6.3900   60.418   22.465   54.064   19.610 6.353058 29.81997 
1 1 1   19   13   34 o   70.237   16.953   15.730   6.5978   11.169   8.3141   23.488   10.843   59.573   22.236   80.902   25.597 -21.32880 33.90641 
1 1 1   19   13   35 o  104.153   18.793   36.568   8.7010   31.140   10.513   48.375   15.504   96.749   23.486  111.557   29.345 -14.80773 37.58585 
1 1 1   19   13   36 o   41.414   13.844  -2.9962   6.2929  -3.1138   7.3612  -2.6770   12.129   36.933   17.250   45.895   21.657 -8.961929 27.68774 
1 1 1   19   13   37 o   50.812   13.961   6.2236   5.0273   12.122   7.4799   1.3640   6.7896   60.848   21.309   40.777   18.043 20.07077 27.92147 
1 1 1   19   13   38 o   59.540   15.451   11.936   5.6592   15.696   8.5545   9.0098   7.5465   65.805   22.802   53.274   20.857 12.53138 30.90260 
1 1 1   19   13   39 o   70.215   15.602   17.370   5.6838   20.088   8.5929   15.257   7.5785   74.535   22.659   65.895   21.454 8.640282 31.20425 
1 1 1   19   14    0 o   56.290   12.893   9.6530   4.2406   9.6530   4.2406   9.6530   4.2406   56.290   18.234   56.290   18.234 -0.000000 0.000000 
1 1 1   19   14    1 o  164.840   10.053   63.703   7.5539   49.119   9.6227   87.121   12.194  141.177   14.584  188.503   13.841 -47.32639 20.10688 
1 1 1   19   14    2 o  125.906   8.6003   38.857   4.9947   44.677   6.9537   32.655   7.1787  136.196   10.925  115.616   13.286 20.58063 17.20058 
1 1 1   19   14    3 o  169.606   9.0463   70.128   7.1579   74.749   10.123   65.507   10.123  175.436   12.347  163.776   13.225 11.65965 18.09264 
1 1 1   19   14    4 o   86.161   8.4192   18.045   3.3744   19.822   4.7466   16.228   4.7980   90.641   11.205   81.680   12.569 8.960854 16.83842 
1 1 1   19   14    5 o   51.509   9.7799   6.5910   2.5528   9.8350   3.6592   3.5151   3.5632   62.478   12.957   40.540   14.653 21.93843 19.55979 
1 1 1   19   14    6 f   55.504   11.858   7.4014   3.1558   6.4828   3.8077   9.4169   5.6401   50.673   15.012   60.335   18.361 -9.661625 23.71620 
1 1 1   19   14    7 o  116.737   13.138   33.838   5.9164   32.675   6.7558   37.666   12.255  115.901   12.472  117.573   23.126 -1.672562 26.27534 
1 1 1   19   14    8 o  107.692   9.9430   27.985   4.9056   25.944   6.2563   31.242   7.9041  103.088   12.986  112.297   15.061 -9.209274 19.88592 
1 1 1   19   14    9 o   79.270   11.773   16.631   4.1550   18.341   5.2529   13.773   6.7911   86.665   12.969   71.875   19.653 14.79052 23.54637 
1 1 1   19   14   10 o  157.415   10.867   61.832   7.8104   62.852   10.101   60.316   12.318  160.113   13.498  154.716   17.035 5.397537 21.73477 
1 1 1   19   14   11 o  112.299   11.547   31.405   6.0359   35.518   8.9171   27.927   8.1999  119.190   16.008  105.408   16.645 13.78124 23.09391 
1 1 1   19   14   12 o   98.400   16.018   25.130   6.8870   32.028   12.083   21.811   8.3819  106.719   24.713   90.082   20.385 16.63657 32.03556 
1 1 1   19   14   13 o   57.056   14.667   7.5999   5.4569  -0.4415   9.7100   11.312   6.5972   48.826   21.592   65.286   19.855 -16.46004 29.33354 
1 1 1   19   14   14 o   79.328   14.220   16.922   5.3279   20.696   7.7645   13.564   7.3242   87.941   19.412   70.716   20.784 17.22507 28.43943 
1 1 1   19   14   15 o   73.354   14.371   14.608   5.0919   15.877   7.4737   13.509   6.9563   76.181   20.528   70.527   20.118 5.653236 28.74291 
1 1 1   19   14   16 o   82.277   14.374   18.535   5.5027   20.310   7.9155   16.876   7.6550   86.311   20.012   78.243   20.637 8.067963 28.74720 
1 1 1   19   14   17 o  206.405   14.467  113.629   13.954  115.378   19.804  111.904   19.665  208.103   20.363  204.708   20.554 3.395096 28.93327 
1 1 1   19   14   18 f  109.926   13.253   32.638   6.4681   25.710   9.4942   38.639   8.8357   96.076   21.662  123.776   15.274 -27.69994 26.50560 
1 1 1   19   14   19 o  101.220   16.306   32.054   7.5273   19.123   13.409   38.004   9.0956   79.960   28.480  122.481   15.890 -42.52148 32.61301 
1 1 1   19   14   20 o   50.351   14.213   4.9859   4.7064  -1.7703   10.764   6.5830   5.2332   49.046   22.133   51.656   17.838 -2.609623 28.42662 
1 1 1   19   14   21 o  150.881   24.899   64.498   17.558   0.0000   0.0000   64.498   17.558  ?   ?   150.881   24.899      ?      ? 
1 1 1   19   14   22 o   64.852   21.405   11.542   7.5343   0.0000   0.0000   11.542   7.5343  ?   ?    64.852   21.405      ?      ? 
1 1 1   19   14   23 o   92.561   17.656   26.532   7.8597   22.213   12.749   29.179   9.9823   83.634   27.856  101.487   21.703 -17.85309 35.31276 
1 1 1   19   14   24 o   88.551   18.606   18.843   7.3433   41.196   15.674   12.556   8.3120  111.043   29.646   66.059   22.492 44.98407 37.21242 
1 1 1   19   14   25 o   71.028   14.839   17.339   6.5122  -7.6018   15.351   22.813   7.1914   50.547   24.004   91.509   17.452 -40.96213 29.67751 
1 1 1   19   14   26 o   57.419   16.124   8.2252   5.7685   1.9006   14.673   9.3813   6.2736   56.561   25.653   58.278   19.542 -1.716892 32.24850 
1 1 1   19   14   27 o   66.203   17.531   12.751   7.0450   7.6919   15.053   14.170   7.9719   62.785   27.351   69.621   21.940 -6.835720 35.06276 
1 1 1   19   14   28 o  104.554   14.491   30.359   6.6704   34.190   10.859   28.037   8.4531  108.258   22.209  100.851   18.621 7.407845 28.98188 
1 1 1   19   14   29 o   62.322   14.874   11.390   5.0408   10.718   8.6853   11.731   6.1901   60.873   22.726   63.770   19.197 -2.897160 29.74871 
1 1 1   19   14   30 o   57.419   14.450   9.6340   4.8085   8.1956   8.4928   10.313   5.8335   55.297   21.976   59.542   18.768 -4.245487 28.89952 
1 1 1   19   14   31 o   80.430   14.809   21.055   5.9155   13.907   9.2535   25.994   7.6926   65.287   23.611   95.574   17.880 -30.28636 29.61699 
1 1 1   19   14   32 o   51.326   13.456   4.3274   4.6148   14.573   7.7368  -1.3310   5.7495   67.502   21.650   35.150   15.987 32.35186 26.91291 
1 1 1   19   14   33 o   65.985   14.177   12.045   5.1850   22.610   8.2275   5.0855   6.6781   84.987   20.868   46.984   19.195 38.00272 28.35319 
1 1 1   19   14   34 o   62.555   16.534   11.015   5.6711   20.083   11.839   8.3139   6.4606   71.930   26.596   53.181   19.650 18.74907 33.06777 
1 1 1   19   14   35 o   74.278   15.515   19.131   6.6677   27.692   8.9178   8.2787   10.041   94.077   20.832   54.478   22.997 39.59856 31.02991 
1 1 1   19   14   36 o   48.105   14.349   4.5012   5.8010  -0.8365   8.1490   9.9851   8.2598   40.464   18.638   55.747   21.822 -15.28336 28.69790 
1 1 1   19   14   37 o   82.512   17.214   28.485   7.9115   33.338   9.7211   18.966   13.615  100.424   21.369   64.601   26.994 35.82246 34.42857 
1 1 1   19   15    0 o   78.701   13.356   17.271   6.0255   17.271   6.0255   17.271   6.0255   78.701   18.888   78.701   18.888 -0.000000 0.000000 
1 1 1   19   15    1 o  131.171   10.470   43.942   6.1012   48.189   7.7965   37.231   9.8001  140.945   11.836  121.397   17.273 19.54781 20.93942 
1 1 1   19   15    2 o  137.512   8.4971   45.926   5.4597   44.756   7.7029   47.108   7.7395  135.695   12.146  139.330   11.886 -3.635345 16.99427 
1 1 1   19   15    3 o  260.908   11.733  171.033   14.304  166.386   20.164  175.740   20.293  257.135   16.780  264.682   16.405 -7.547150 23.46642 
1 1 1   19   15    4 o  150.689   8.5428   55.341   5.9847   61.712   8.4730   48.998   8.4544  159.709   11.352  141.669   12.769 18.04019 17.08566 
1 1 1   19   15    5 o  143.600   9.9012   49.874   6.4657   46.949   8.1530   54.833   10.614  138.744   12.574  148.456   15.298 -9.711960 19.80239 
1 1 1   19   15    6 o  164.077   10.926   67.252   8.1345   67.811   10.388   66.366   13.079  166.250   13.370  161.904   17.285 4.345993 21.85258 
1 1 1   19   15    7 o  254.070   14.823  169.835   17.148  171.183   22.078  167.786   27.225  258.735   18.258  249.405   23.357 9.329224 29.64657 
1 1 1   19   15    8 o  197.214   12.153   98.696   10.895   99.131   13.950   98.015   17.446  199.652   14.950  194.777   19.166 4.875061 24.30694 
1 1 1   19   15    9 o  117.160   10.555   34.741   5.5976   36.972   7.2486   31.445   8.8105  122.930   12.617  111.389   16.925 11.54084 21.10989 
1 1 1   19   15   10 o  145.111   11.918   53.398   8.0734   56.961   11.611   50.064   11.233  149.988   16.564  140.233   17.140 9.755173 23.83613 
1 1 1   19   15   11 o  155.363   12.462   62.006   9.0388   60.077   12.923   63.853   12.647  152.598   18.121  158.128   17.113 -5.529984 24.92456 
1 1 1   19   15   12 o   66.632   15.330   12.598   5.3839   6.7505   11.276   14.325   6.1274   60.106   24.793   73.158   18.036 -13.05198 30.65961 
1 1 1   19   15   13 o   77.033   15.098   18.255   6.1803   6.7669   11.048   23.487   7.4562   59.690   24.572   94.376   17.551 -34.68602 30.19629 
1 1 1   19   15   14 o   68.011   14.094   12.673   4.9646   8.4311   7.1980   16.521   6.8563   57.965   20.843   78.057   18.979 -20.09161 28.18899 
1 1 1   19   15   15 o   94.385   13.883   24.517   6.0653   33.183   8.5270   15.642   8.6291  114.351   15.956   74.418   22.725 39.93263 27.76687 
1 1 1   19   15   16 o   90.787   16.797   23.069   8.4871   6.2667   11.841   40.817   12.170   60.138   25.156  121.437   22.265 -61.29818 33.59374 
1 1 1   19   15   17 o  154.104   19.639   77.817   12.183   49.228   21.222   91.870   14.879  118.631   35.507  189.577   16.794 -70.94659 39.27835 
1 1 1   19   15   18 o  107.043   16.631   34.139   7.6708   27.487   13.997   36.994   9.1706   93.595   29.003  120.492   16.285 -26.89629 33.26273 
1 1 1   19   15   19 o  108.392   18.225   34.927   8.9748   34.878   14.207   34.959   11.578  105.901   28.202  110.883   23.092 -4.981621 36.44945 
1 1 1   19   15   20 o  153.409   16.908   69.370   10.958   76.866   13.916   57.136   17.778  171.799   17.332  135.019   29.036 36.78009 33.81529 
1 1 1   19   15   21 o   82.811   15.062   19.774   5.9037   22.262   8.2370   17.146   8.4659   89.003   20.258   76.620   22.296 12.38268 30.12471 
1 1 1   19   15   22 o   77.251   14.493   16.688   6.0222   6.3816   8.2895   28.207   8.7636   53.814   21.602  100.688   19.326 -46.87439 28.98511 
1 1 1   19   15   23 o  104.823   15.315   33.501   7.2102   24.080   11.347   39.881   9.3376   86.426   25.985  123.219   16.215 -36.79372 30.62930 
1 1 1   19   15   24 o  111.129   16.929   36.543   8.7610   26.955   11.822   48.224   13.049   91.671   26.253  130.587   21.381 -38.91571 33.85777 
1 1 1   19   15   25 o   89.747   16.897   25.822   7.0586   19.489   14.666   27.731   8.0526   76.780   29.336  102.715   16.775 -25.93569 33.79350 
1 1 1   19   15   26 o   62.070   16.180   11.028   5.8222   2.9328   14.808   12.509   6.3321   57.679   26.001   66.461   19.266 -8.782299 32.36082 
1 1 1   19   15   27 o  110.029   17.683   31.813   7.6334   54.053   16.762   25.994   8.5741  125.203   29.185   94.855   19.973 30.34851 35.36523 
1 1 1   19   15   28 o   46.821   15.016   1.5382   5.2792   2.9460   13.915   1.3015   5.7058   54.310   24.766   39.332   16.986 14.97772 30.03160 
1 1 1   19   15   29 o   56.048   15.220   8.1262   4.9972   11.840   10.113   6.9263   5.7481   61.499   24.125   50.597   18.561 10.90195 30.43946 
1 1 1   19   15   30 o  134.346   13.406   51.874   8.3652   53.662   12.585   50.459   11.197  135.066   19.937  133.627   17.929 1.438599 26.81289 
1 1 1   19   15   31 o   66.182   14.942   13.579   5.1616   17.011   8.1149   11.247   6.6892   72.098   22.041   60.265   20.179 11.83339 29.88312 
1 1 1   19   15   32 o   38.321   12.222  -1.5700   4.5977   3.7702   7.3304  -5.0331   5.9031   45.537   19.452   31.105   14.804 14.43289 24.44427 
1 1 1   19   15   33 o   50.995   14.070   6.2897   4.8440   11.346   7.7728   3.0789   6.1939   59.448   21.618   42.542   18.016 16.90622 28.14099 
1 1 1   19   15   34 o   65.928   14.445   14.471   5.2781   8.9853   8.0911   18.535   6.9638   54.352   21.497   77.504   19.299 -23.15223 28.88944 
1 1 1   19   15   35 o   53.223   13.867   6.5785   4.8324   16.396   7.9621   0.8532   6.0804   68.435   21.965   38.012   16.933 30.42284 27.73409 
1 1 1   19   15   36 o   67.721   16.746   17.608   6.3434   17.775   13.342   17.560   7.2106   62.998   26.547   72.444   20.419 -9.446087 33.49136 
1 1 1   19   16    0 o   69.250   12.638   13.639   4.9993   13.639   4.9993   13.639   4.9993   69.250   17.873   69.250   17.873 -0.000000 0.000000 
1 1 1   19   16    1 o  120.142   12.917   32.335   6.5864   23.453   7.7607   55.207   12.453   94.099   18.306  146.185   18.228 -52.08646 25.83337 
1 1 1   19   16    2 o   62.960   10.140   10.110   2.9297   12.554   4.3279   8.0424   3.9803   70.200   13.683   55.720   14.967 14.47982 20.27909 
1 1 1   19   16    3 o   95.225   8.7124   22.352   3.8383   18.904   5.4349   25.783   5.4216   87.491   13.292  102.959   11.267 -15.46871 17.42484 
1 1 1   19   16    4 o  113.667   9.2285   30.608   4.7630   26.874   5.9424   37.318   7.9653  104.759   12.138  122.575   13.905 -17.81617 18.45692 
1 1 1   19   16    5 o   60.449   9.8122   9.3673   2.7138   10.325   3.9502   8.5110   3.7346   63.457   13.720   57.442   14.032 6.014969 19.62438 
1 1 1   19   16    6 o  100.466   9.8887   25.147   4.4455   25.231   5.5619   24.999   7.3972  101.615   11.712   99.317   15.937 2.298309 19.77745 
1 1 1   19   16    7 o  156.844   13.592   62.803   8.5602   61.055   9.8481   68.206   17.314  156.949   13.426  156.739   23.636 0.2107849 27.18328 
1 1 1   19   16    8 o  112.014   9.8851   30.929   5.0368   29.823   6.3861   32.750   8.1931  110.132   12.408  113.896   15.392 -3.764114 19.77029 
1 1 1   19   16    9 o  141.226   10.064   48.518   6.4865   44.107   8.1923   55.930   10.619  133.528   13.128  148.924   15.258 -15.39523 20.12797 
1 1 1   19   16   10 o   79.925   13.400   17.143   4.9021   18.723   7.4203   15.920   6.5300   82.952   19.474   76.899   18.414 6.053329 26.80096 
1 1 1   19   16   11 o  162.510   13.826   62.841   9.9711   95.923   17.743   47.571   12.055  190.353   19.944  134.666   19.154 55.68742 27.65241 
1 1 1   19   16   12 o   84.402   15.765   19.513   5.8418   21.116   11.235   18.919   6.8389   84.463   25.954   84.341   17.904 0.1216049 31.53038 
1 1 1   19   16   13 o  139.136   16.699   56.628   9.4578   46.105   16.609   61.678   11.505  122.147   29.441  156.126   15.768 -33.97876 33.39745 
1 1 1   19   16   14 o  151.846   19.956   79.510   12.433   42.390   21.634   97.817   15.193  108.034   36.289  195.658   16.615 -87.62369 39.91148 
1 1 1   19   16   15 o  208.426   25.581  158.462   21.149  107.126   36.472  184.467   25.958  155.818   46.528  261.034   21.278 -105.2160 51.16284 
1 1 1   19   16   16 o   99.340   17.722   30.899   9.3568   14.537   14.219   43.395   12.426   72.276   28.526  126.403   21.035 -54.12657 35.44314 
1 1 1   19   16   17 o  105.284   16.095   31.571   7.5296   30.688   9.6055   32.980   12.127  105.435   20.229  105.133   25.039 0.3021774 32.18983 
1 1 1   19   16   18 o  123.848   15.637   43.765   8.6500   45.503   11.353   41.360   13.355  130.408   18.628  117.288   25.122 13.12064 31.27457 
1 1 1   19   16   19 o  190.356   19.514  110.870   16.637  103.534   20.676  124.344   28.020  188.358   23.488  192.354   31.169 -3.995178 39.02834 
1 1 1   19   16   20 o   97.193   17.486   28.647   7.6979   26.895   9.5330   31.931   13.050   95.828   21.780   98.558   27.362 -2.729553 34.97191 
1 1 1   19   16   21 o   79.803   17.293   19.448   6.8830   18.200   8.6332   21.626   11.403   77.910   22.471   81.695   26.292 -3.784584 34.58631 
1 1 1   19   16   22 o  123.054   15.911   47.774   8.4498   63.671   11.139   26.224   12.969  157.205   15.161   88.903   27.978 68.30277 31.82203 
1 1 1   19   16   23 o   54.647   13.543   8.0122   4.4360   3.8171   7.6812   10.112   5.4337   48.691   20.305   60.604   17.928 -11.91277 27.08672 
1 1 1   19   16   24 o   88.482   14.433   22.029   5.7580   26.084   9.1762   19.396   7.3950   94.477   21.292   82.487   19.492 11.99048 28.86677 
1 1 1   19   16   25 o  126.247   15.446   48.236   8.5654   39.700   13.025   54.740   11.369  110.503   25.706  141.990   17.133 -31.48716 30.89238 
1 1 1   19   16   26 o   99.390   16.267   36.518   7.9590   18.053   14.487   44.501   9.5252   70.141   28.416  128.639   15.844 -58.49752 32.53409 
1 1 1   19   16   27 o   85.880   17.044   23.283   6.6576   28.170   12.463   21.331   7.8755   87.693   27.399   84.066   20.279 3.626297 34.08765 
1 1 1   19   16   28 o   92.395   18.422   29.240   8.3151   38.328   12.957   22.878   10.842  104.620   26.478   80.171   25.621 24.44928 36.84404 
1 1 1   19   16   29 o  132.693   16.060   52.897   9.2409   66.235   16.198   46.462   11.251  139.370   25.820  126.016   19.105 13.35332 32.11913 
1 1 1   19   16   30 o  140.772   17.766   63.089   10.752   80.267   19.152   55.185   12.992  147.000   28.908  134.543   20.662 12.45703 35.53244 
1 1 1   19   16   31 o   94.317   17.152   31.045   7.3289   30.060   13.530   31.454   8.7189   85.559   28.698  103.075   18.792 -17.51677 34.30312 
1 1 1   19   16   32 o   82.296   18.797   26.509   8.3405   24.115   12.543   28.406   11.167   76.653   27.519   87.939   25.612 -11.28646 37.59375 
1 1 1   19   16   33 o   69.801   15.928   15.504   5.6008   23.813   10.076   11.788   6.7376   79.717   24.592   59.885   20.251 19.83203 31.85696 
1 1 1   19   16   34 o   64.197   14.886   13.254   5.1916   20.293   8.3860   8.8805   6.6106   75.706   22.237   52.687   19.796 23.01900 29.77168 
1 1 1   19   17    0 o   66.245   12.341   12.550   4.6684   12.550   4.6684   12.550   4.6684   66.245   17.453   66.245   17.453 -0.000000 0.000000 
1 1 1   19   17    1 o  174.526   12.230   79.561   9.5921   84.377   12.309   72.113   15.306  183.850   14.326  165.201   19.825 18.64862 24.45915 
1 1 1   19   17    2 o   76.401   12.172   15.377   4.1028   15.222   5.1048   15.661   6.8953   76.926   14.736   75.877   19.376 1.048325 24.34299 
1 1 1   19   17    3 o   69.845   10.412   12.677   3.3392   10.174   4.9230   14.810   4.5443   62.075   16.633   77.614   12.528 -15.53930 20.82328 
1 1 1   19   17    4 o   37.309   9.8251   2.7159   2.2901   3.6270   3.4590   2.0048   3.0557   40.364   14.455   34.255   13.310 6.108944 19.65012 
1 1 1   19   17    5 o  121.511   7.8888   35.919   4.4761   37.928   6.3850   33.978   6.2767  124.946   10.934  118.076   11.374 6.869804 15.77765 
1 1 1   19   17    6 o  211.029   12.436  113.040   12.043  105.887   15.449  124.116   19.225  204.151   16.193  217.907   18.878 -13.75674 24.87108 
1 1 1   19   17    7 o  125.125   11.083   39.399   6.4262   33.039   8.7998   46.666   9.4064  113.812   16.544  136.438   14.752 -22.62624 22.16583 
1 1 1   19   17    8 o  106.575   14.739   35.092   6.8249   18.041   11.212   45.128   8.6020   78.363   26.124  134.787   13.656 -56.42376 29.47798 
1 1 1   19   17    9 o   77.728   15.344   17.577   5.7591   13.836   10.056   19.403   7.0255   70.328   24.702   85.127   18.210 -14.79854 30.68868 
1 1 1   19   17   10 o  174.793   19.566   93.523   13.882   79.452   24.151  100.465   16.965  153.760   34.462  195.826   18.537 -42.06531 39.13102 
1 1 1   19   17   11 o  217.357   42.658  182.258   41.785   0.0000   0.0000  182.258   41.785  ?   ?   217.357   42.658      ?      ? 
1 1 1   19   17   12 o  172.327   32.328   97.079   25.079   0.0000   0.0000   97.079   25.079  ?   ?   172.327   32.328      ?      ? 
1 1 1   19   17   13 o  148.875   21.067   70.842   14.329   62.234   20.694   78.770   19.859  134.743   33.101  163.007   26.068 -28.26346 42.13396 
1 1 1   19   17   14 o   57.334   14.448   8.0689   5.6195   13.729   7.0936  -1.4682   9.2083   69.551   20.458   45.118   20.405 24.43275 28.89505 
1 1 1   19   17   15 o  103.591   16.323   32.122   7.6857   34.247   9.7920   28.712   12.404  112.690   18.593   94.491   26.833 18.19906 32.64545 
1 1 1   19   17   16 o  182.766   17.294   95.625   14.154   85.357   17.394  115.751   24.352  173.440   21.459  192.093   27.126 -18.65218 34.58759 
1 1 1   19   17   17 o  122.192   12.476   39.957   7.1168   42.587   10.261   37.519   9.8787  126.289   17.386  118.096   17.899 8.193535 24.95280 
1 1 1   19   17   18 f  102.808   12.931   28.142   6.0158   35.281   9.2396   22.888   7.9259  115.314   17.145   90.303   19.362 25.01114 25.86145 
1 1 1   19   17   19 o   68.465   15.262   13.602   5.4563   14.062   7.8154   13.166   7.6210   69.464   21.696   67.466   21.472 1.997940 30.52488 
1 1 1   19   17   20 o   58.126   21.280   9.0109   7.5495   9.0109   7.5495   0.0000   0.0000   58.126   21.280  ?   ?       ?      ? 
1 1 1   19   17   21 o   68.560   14.315   13.943   5.0170   10.640   7.9333   16.145   6.4764   61.256   21.897   75.863   18.445 -14.60642 28.63056 
1 1 1   19   17   22 o   44.553   12.136   3.5937   4.1541  -5.3829   7.3139   7.8687   5.0473   35.606   16.807   53.500   17.513 -17.89478 24.27291 
1 1 1   19   17   23 o   82.062   14.596   20.825   5.6565   16.946   8.7011   23.663   7.4442   72.785   22.919   91.338   18.079 -18.55302 29.19113 
1 1 1   19   17   24 o   46.977   13.566   4.0408   4.6347   7.7479   7.5202   1.7703   5.8852   53.561   20.862   40.393   17.346 13.16773 27.13128 
1 1 1   19   17   25 o   36.202   11.846  -2.1072   4.3503  -2.0397   7.9447  -2.1361   5.1991   39.897   18.387   32.507   14.941 7.390709 23.69168 
1 1 1   19   17   26 o   51.176   14.860   5.4433   5.0214   10.767   10.109   3.6994   5.7856   59.029   23.798   43.322   17.802 15.70676 29.71988 
1 1 1   19   17   27 o  149.948   13.156   65.006   9.1911   71.968   13.408   58.835   12.624  158.226   18.132  141.669   19.067 16.55759 26.31165 
1 1 1   19   17   28 o   41.709   12.567   2.4223   4.4624  -1.9836   7.4310   4.9073   5.5807   38.289   17.693   45.129   17.852 -6.839497 25.13474 
1 1 1   19   17   29 o   47.510   13.436   5.6307   4.5892   2.9102   7.5750   7.2083   5.7683   44.584   19.412   50.436   18.580 -5.852146 26.87105 
1 1 1   19   17   30 o   48.702   13.214   4.0231   4.5697   12.936   7.3364  -1.6271   5.8412   62.833   21.132   34.571   15.870 28.26235 26.42780 
1 1 1   19   17   31 o  109.793   13.875   37.284   6.8803   36.926   10.395   37.563   9.1788  106.164   21.683  113.422   17.316 -7.258545 27.74907 
1 1 1   19   17   32 o   53.102   15.485   9.1549   6.2155   10.026   7.8237   7.6636   10.234   54.671   21.283   51.533   22.497 3.138065 30.96935 
1 1 1   19   18    0 o   93.412   13.954   24.063   7.5801   24.063   7.5801   24.063   7.5801   93.412   19.734   93.412   19.734 -0.000000 0.000000 
1 1 1   19   18    1 o   52.676   11.797   5.6966   3.2992   2.5888   4.0234   12.075   5.7641   38.630   15.197   66.722   18.049 -28.09230 23.59477 
1 1 1   19   18    2 o   96.486   11.300   23.664   4.8841   17.859   6.5006   31.187   7.4009   81.597   17.566  111.374   14.219 -29.77711 22.59963 
1 1 1   19   18    3 o   99.190   9.6142   24.232   4.4106   27.194   6.8641   22.149   5.7561  104.021   14.119   94.359   13.053 9.662048 19.22848 
1 1 1   19   18    4 o  114.892   11.248   29.705   5.3463   43.658   11.071   25.461   6.1054  128.581   18.423  101.203   12.909 27.37814 22.49552 
1 1 1   19   18    5 o   86.855   9.4069   18.162   3.7170   21.912   6.1738   16.029   4.6554   93.256   14.166   80.454   12.381 12.80125 18.81372 
1 1 1   19   18    6 o   84.494   14.103   18.360   5.3002   26.513   9.1633   14.261   6.4975   97.214   20.798   71.773   19.053 25.44167 28.20540 
1 1 1   19   18    7 o   73.471   14.967   16.684   5.6303   19.655   6.6621   9.2569   10.532   85.516   17.264   61.425   24.453 24.09082 29.93375 
1 1 1   19   18    8 o  144.657   14.758   55.987   9.2961   52.602   11.192   63.519   16.693  141.718   16.898  147.596   24.200 -5.878220 29.51615 
1 1 1   19   18    9 o  151.444   13.944   57.981   9.4333   47.016   11.460   81.023   16.613  132.217   18.546  170.670   20.828 -38.45309 27.88831 
1 1 1   19   18   10 o   76.579   16.543   17.912   6.4832   19.024   8.4790   16.348   10.060   80.270   21.964   72.887   24.744 7.383438 33.08636 
1 1 1   19   18   11 o   67.733   15.917   13.449   6.2793   18.630   8.5803   7.4737   9.2140   78.987   22.278   56.478   22.738 22.50853 31.83312 
1 1 1   19   18   12 o  147.987   17.389   66.136   10.871   67.522   13.420   63.490   18.542  158.124   18.160  137.850   29.661 20.27321 34.77866 
1 1 1   19   18   13 f  133.166   12.020   46.992   7.4758   49.206   10.777   44.938   10.379  136.255   16.924  130.077   17.073 6.178345 24.03992 
1 1 1   19   18   14 o   54.664   13.779   7.8522   4.4125   7.4416   6.8919   8.1374   5.7441   54.239   20.245   55.089   18.698 -0.8508873 27.55854 
1 1 1   19   18   15 o   53.255   14.728   6.4598   5.1878   6.0387   6.5470   7.1702   8.5042   50.994   19.573   55.516   22.013 -4.522007 29.45639 
1 1 1   19   18   16 f  136.010   16.718   53.976   9.8151   53.662   12.206   54.551   16.510  141.153   18.503  130.867   27.850 10.28645 33.43651 
1 1 1   19   18   17 o  140.322   12.189   52.511   7.9531   48.226   11.410   56.562   11.092  133.696   18.261  146.949   16.150 -13.25281 24.37805 
1 1 1   19   18   18 o   94.555   12.937   24.223   5.5538   34.275   8.4274   16.505   7.3842  114.122   15.801   74.987   20.488 39.13447 25.87364 
1 1 1   19   18   19 o   74.323   14.254   16.411   5.0331   16.108   7.9230   16.616   6.5169   72.486   21.696   76.160   18.494 -3.674500 28.50827 
1 1 1   19   18   20 o   53.405   20.781   7.5597   7.4560   7.5597   7.4560   0.0000   0.0000   53.405   20.781  ?   ?       ?      ? 
1 1 1   19   18   21 o   66.432   22.172   13.986   8.0753   13.986   8.0753   0.0000   0.0000   66.432   22.172  ?   ?       ?      ? 
1 1 1   19   18   22 o  130.601   12.682   47.824   7.7151   50.361   11.476   45.732   10.422  133.107   18.448  128.096   17.408 5.011353 25.36492 
1 1 1   19   18   23 o   91.242   13.929   25.802   5.8100   19.836   9.0602   29.969   7.5719   77.190   23.222  105.294   15.387 -28.10387 27.85740 
1 1 1   19   18   24 o   78.430   14.431   18.277   5.5775   28.515   8.6962   11.123   7.2696   97.277   19.802   59.582   20.997 37.69511 28.86115 
1 1 1   19   18   25 o   50.739   14.465   3.4592   4.9394   15.103   9.5949  -0.7390   5.7614   65.747   24.002   35.731   16.152 30.01602 28.93072 
1 1 1   19   18   26 o   60.731   17.034   11.969   7.4966   17.280   10.508   6.4641   10.698   68.691   25.112   52.772   23.021 15.91956 34.06713 
1 1 1   19   18   27 o   68.136   16.917   15.474   6.3138   13.327   7.6175   20.188   11.286   63.737   21.533   72.535   26.097 -8.798096 33.83344 
1 1 1   19   18   28 o  119.383   18.511   50.508   9.7497   48.245   11.970   54.968   16.806  124.655   20.547  114.111   30.798 10.54382 37.02243 
1 1 1   19   18   29 o   66.896   14.748   12.230   6.1436   0.8767   7.9250   29.328   9.7256   41.488   18.831   92.305   22.702 -50.81653 29.49548 
1 1 1   19   18   30 o   52.657   15.238   8.7703   5.8676   7.8196   7.5674   10.204   9.2916   50.635   20.529   54.679   22.525 -4.043694 30.47613 
1 1 1   19   19    0 o   73.773   18.112   18.205   7.9728   18.205   7.9728   18.205   7.9728   73.773   25.615   73.773   25.615 -0.000000 0.000000 
1 1 1   19   19    1 o   85.834   21.409   21.598   8.5593   0.0000   0.0000   21.598   8.5593  ?   ?    85.834   21.409      ?      ? 
1 1 1   19   19    2 o   95.549   15.260   23.680   6.8142   23.680   6.8142   0.0000   0.0000   95.549   15.260  ?   ?       ?      ? 
1 1 1   19   19    3 o   76.659   12.284   18.219   4.4143   22.828   5.3992   8.9285   7.6660   95.598   12.085   57.720   21.390 37.87856 24.56751 
1 1 1   19   19    4 o  119.704   14.092   39.541   7.4987   37.968   9.5622   42.055   12.085  119.487   17.124  119.920   22.386 -0.4330597 28.18446 
1 1 1   19   19    5 o   80.182   9.6896   16.359   3.5320   19.185   5.2753   14.063   4.7551   87.254   12.936   73.109   14.429 14.14547 19.37919 
1 1 1   19   19    6 o  107.919   13.571   29.541   6.8445   29.541   6.8445   0.0000   0.0000  107.919   13.571  ?   ?       ?      ? 
1 1 1   19   19    7 o  114.019   16.798   34.290   8.9513   34.290   8.9513   0.0000   0.0000  114.019   16.798  ?   ?       ?      ? 
1 1 1   19   19    8 o   66.305   14.217   12.615   4.7444   13.265   5.9531   11.482   7.8548   69.106   18.186   63.505   21.859 5.601238 28.43450 
1 1 1   19   19    9 o   53.558   13.329   5.3658   4.8845   13.774   7.0143  -2.5502   6.8059   69.388   20.324   37.729   17.250 31.65923 26.65782 
1 1 1   19   19   10 o  153.340   19.368   72.183   13.349   94.204   20.050   54.649   17.891  179.293   23.928  127.386   30.463 51.90730 38.73627 
1 1 1   19   19   11 o  133.769   20.762   58.950   12.685   69.159   18.181   49.266   17.707  148.667   27.168  118.870   31.404 29.79774 41.52475 
1 1 1   19   19   12 o  130.212   20.618   56.247   12.287   48.542   17.284   64.121   17.471  118.016   30.954  142.409   27.244 -24.39314 41.23516 
1 1 1   19   19   13 o   76.745   20.646   17.246   7.5672   17.246   7.5672   0.0000   0.0000   76.745   20.646  ?   ?       ?      ? 
1 1 1   19   19   14 o  185.394   17.625  100.504   14.671   84.741   17.973  131.972   25.395  168.649   22.803  202.139   26.882 -33.49040 35.25072 
1 1 1   19   19   15 o  106.275   17.319   34.100   8.0197   29.869   9.7391   43.009   14.134   99.725   21.527  112.825   27.137 -13.09968 34.63898 
1 1 1   19   19   16 o  141.707   15.835   52.774   9.4878   31.697   11.472   98.401   16.879   98.051   24.967  185.364   19.484 -87.31321 31.66998 
1 1 1   19   19   17 o   93.119   15.810   25.854   6.9882   16.256   9.0049   40.385   11.080   70.435   23.409  115.804   21.257 -45.36901 31.61977 
1 1 1   19   19   18 o  122.575   15.920   42.936   8.6332   32.816   10.611   62.753   14.848  101.931   22.841  143.219   22.184 -41.28762 31.84057 
1 1 1   19   19   19 f   87.525   16.988   26.998   7.2946   29.588   8.8927   21.669   12.754   99.830   19.760   75.219   27.640 24.61082 33.97672 
1 1 1   19   19   20 o   75.419   17.144   18.009   6.6554   13.327   8.1981   27.060   11.398   64.058   22.315   86.780   26.033 -22.72195 34.28804 
1 1 1   19   19   21 f   49.748   14.904   4.3265   5.7738   1.0989   7.1369   10.440   9.8226   41.503   18.425   57.993   23.432 -16.49047 29.80791 
1 1 1   19   19   22 o   60.156   21.936   11.691   8.0108   11.691   8.0108   0.0000   0.0000   60.156   21.936  ?   ?       ?      ? 
1 1 1   19   19   23 o   64.540   22.397   13.918   8.2544   13.918   8.2544   0.0000   0.0000   64.540   22.397  ?   ?       ?      ? 
1 1 1   19   19   24 o   80.218   19.013   24.756   8.4133   21.154   11.371   29.112   12.506   74.210   26.248   86.227   27.512 -12.01694 38.02514 
1 1 1   19   19   25 o   45.490   14.569   1.0545   6.8203   5.3260   9.4489  -3.5916   9.8545   49.727   21.665   41.253   19.484 8.473557 29.13764 
1 1 1   19   19   26 o   65.325   16.712   15.771   6.4790   15.820   7.9465   15.674   11.190   67.463   21.969   63.186   25.189 4.276482 33.42382 
1 1 1   19   19   27 o   54.862   14.345   9.7769   4.8061   10.766   7.5747   9.1105   6.2180   56.290   21.182   53.434   19.350 2.856354 28.68987 
1 1 1   19   20    0 o  212.867   16.152  121.797   22.063  121.797   22.063  121.797   22.063  212.867   22.842  212.867   22.842 -0.000000 0.000000 
1 1 1   19   20    1 o  138.448   14.675   52.533   9.1915   48.413   11.494   59.840   15.308  133.619   18.406  143.277   22.861 -9.658096 29.34974 
1 1 1   19   20    2 o   81.101   11.705   16.126   4.3099   26.669   7.2113   10.267   5.3757  101.374   15.221   60.828   17.786 40.54657 23.40978 
1 1 1   19   20    3 o   87.903   15.165   22.449   6.0995   21.017   7.9321   24.522   9.5408   85.477   20.180   90.330   22.643 -4.853439 30.33076 
1 1 1   19   20    4 o  130.264   9.6464   39.873   5.6314   60.020   9.5773   29.227   6.9622  153.684   13.334  106.843   13.943 46.84078 19.29278 
1 1 1   19   20    5 o   92.234   9.3513   19.521   3.5150   26.310   7.3473   17.506   4.0027  100.073   15.710   84.394   10.148 15.67893 18.70254 
1 1 1   19   20    6 o  126.784   9.6375   39.771   5.5212   46.911   9.3133   35.902   6.8558  134.210   14.848  119.358   12.290 14.85178 19.27505 
1 1 1   19   20    7 o   79.677   13.243   18.110   5.2578   26.902   7.5699   9.9154   7.3082  100.510   16.115   58.843   21.018 41.66785 26.48533 
1 1 1   19   20    8 o   72.682   14.416   15.843   5.1202   14.361   7.5119   17.128   6.9976   68.806   21.235   76.559   19.503 -7.753479 28.83209 
1 1 1   19   20    9 o  112.550   17.465   45.535   8.8869   28.962   15.855   53.127   10.731   84.716   30.865  140.384   16.356 -55.66800 34.93100 
1 1 1   19   20   10 o   59.551   15.547   10.744   5.8278   6.4902   10.553   12.610   6.9905   54.544   23.320   64.558   20.566 -10.01425 31.09320 
1 1 1   19   20   11 o   77.958   13.691   18.886   5.5684   9.4433   8.3886   26.324   7.4453   57.282   22.110   98.634   16.151 -41.35197 27.38134 
1 1 1   19   20   12 o  127.493   17.651   51.850   9.4859   54.657   17.040   50.590   11.419  120.927   30.233  134.060   18.225 -13.13221 35.30140 
1 1 1   19   20   13 o   85.560   14.941   22.452   5.9322   23.942   8.6823   21.148   8.1242   88.136   21.312   82.983   20.946 5.153564 29.88256 
1 1 1   19   20   14 o  109.276   13.461   34.664   6.6429   29.169   9.3637   40.232   9.4257   97.673   21.127  120.879   16.685 -23.20636 26.92112 
1 1 1   19   20   15 o   27.437   9.4167  -7.0617   3.7204  -6.7953   5.6932  -7.2602   4.9150   28.979   13.986   25.895   12.613 3.083401 18.83332 
1 1 1   19   20   16 o   45.356   13.082   4.4618   4.3549   4.3428   6.6211   4.5525   5.7814   45.765   18.948   44.947   18.041 0.8181572 26.16315 
1 1 1   19   20   17 f  122.613   14.684   47.097   7.7986   33.567   11.525   58.526   10.592   98.718   24.964  146.507   15.469 -47.78893 29.36857 
1 1 1   19   20   18 o   52.160   12.688   4.9198   4.1071   15.563   7.0288  -0.5980   5.0610   70.353   20.271   33.968   15.267 36.38480 25.37665 
1 1 1   19   20   19 o   63.279   13.661   12.907   4.6482   8.5027   7.6650   15.468   5.8456   53.868   21.039   72.690   17.432 -18.82262 27.32291 
1 1 1   19   20   20 o   54.869   15.621   8.7952   5.9960   8.7890   7.3975   8.8070   10.238   54.320   20.816   55.417   23.298 -1.097393 31.24231 
1 1 1   19   20   21 o   48.546   13.511   6.2384   4.5639   4.0197   7.3216   7.6483   5.8366   45.715   19.482   51.376   18.725 -5.661266 27.02173 
1 1 1   19   20   22 o   71.524   14.237   15.917   4.9372   19.955   7.6790   13.072   6.4461   78.857   20.608   64.191   19.648 14.66668 28.47310 
1 1 1   19   20   23 o   57.885   15.076   10.095   4.9828   15.559   9.2333   7.8498   5.9187   64.782   23.561   50.987   18.814 13.79562 30.15151 
1 1 1   19   20   24 o   58.599   16.470   12.686   6.7858   11.329   10.543   13.646   8.8665   56.358   23.665   60.839   22.913 -4.480545 32.94004 
1 1 1   19   21    0 o   27.970   12.169   2.0278   4.3702   2.0278   4.3702   2.0278   4.3702   27.970   17.209   27.970   17.209 -0.000000 0.000000 
1 1 1   19   21    1 o  133.260   9.8863   46.601   6.1448   43.756   8.7162   49.413   8.6641  128.670   14.495  137.851   13.448 -9.181213 19.77255 
1 1 1   19   21    2 o  108.280   11.133   30.725   5.5055   36.176   9.0053   27.471   6.9570  114.720   16.796  101.839   14.617 12.88139 22.26618 
1 1 1   19   21    3 f   94.835   14.809   28.409   5.9061   29.915   6.9177   24.359   11.344  106.898   13.847   82.771   26.181 24.12793 29.61721 
1 1 1   19   21    4 o   71.660   14.565   15.829   4.8725   15.980   5.6859   15.413   9.4538   75.372   16.591   67.948   23.944 7.423599 29.13056 
1 1 1   19   21    5 o   39.844   11.066   3.1492   3.0086   4.5665   4.5699   2.0650   3.9970   43.504   16.434   36.184   14.824 7.320732 22.13238 
1 1 1   19   21    6 o  101.085   8.9880   26.504   3.7421   25.835   7.1085   26.761   4.4013   97.845   15.545  104.325   9.0270 -6.479988 17.97603 
1 1 1   19   21    7 o  114.154   10.645   35.275   5.3281   33.391   9.0107   36.288   6.6069  108.999   17.689  119.308   11.849 -10.30865 21.29055 
1 1 1   19   21    8 o  118.786   19.332   54.249   12.144   27.497   17.337   80.027   17.018   77.785   31.234  159.788   22.789 -82.00286 38.66370 
1 1 1   19   21    9 o   63.337   17.165   13.460   7.2677   10.205   10.907   16.059   9.7466   58.437   24.268   68.237   24.284 -9.799507 34.33094 
1 1 1   19   21   10 o   62.529   13.823   11.905   5.9250   20.885   7.4374  -3.6919   9.8023   83.286   19.459   41.773   19.637 41.51285 27.64512 
1 1 1   19   21   11 o   57.081   15.754   9.9613   6.0024   10.409   7.4807   9.1516   10.057   57.942   21.187   56.220   23.322 1.722031 31.50853 
1 1 1   19   21   12 o  150.238   14.509   68.677   9.6481   55.543   13.853   81.048   13.445  130.602   23.563  169.874   16.935 -39.27260 29.01769 
1 1 1   19   21   13 o   76.840   13.596   19.131   5.4520   10.074   8.3798   25.779   7.1793   56.974   22.069   96.706   15.885 -39.73235 27.19125 
1 1 1   19   21   14 o   88.492   14.159   24.436   5.7093   21.492   8.6576   26.702   7.5947   80.846   22.224   96.139   17.550 -15.29339 28.31829 
1 1 1   19   21   15 o   74.209   14.461   17.589   5.1841   16.102   8.1217   18.611   6.7345   69.537   22.169   78.882   18.575 -9.344147 28.92252 
1 1 1   19   21   16 o   40.800   12.177   2.7811   3.8587   1.6627   6.7578   3.3222   4.7003   41.350   18.160   40.249   16.228 1.101318 24.35433 
1 1 1   19   21   17 o   33.275   10.850  -1.5351   3.6221  -2.2138   6.6627  -1.2503   4.3155   36.069   16.698   30.481   13.858 5.588285 21.69929 
1 1 1   19   21   18 o   69.468   14.441   15.769   5.0050   14.584   7.9689   16.541   6.4319   65.446   22.024   73.490   18.685 -8.043854 28.88260 
1 1 1   19   21   19 o   52.128   14.799   8.0673   5.4301   7.0564   7.0723   9.5191   8.4755   49.761   19.961   54.495   21.854 -4.733986 29.59777 
1 1 1   19   21   20 o   52.550   14.643   8.6636   5.2973   7.2875   7.2922   10.201   7.7082   49.842   20.171   55.259   21.231 -5.417603 29.28527 
1 1 1   19   21   21 o   43.927   12.759   4.7394   4.2072   2.9487   6.9886   5.7573   5.2690   42.368   18.541   45.485   17.533 -3.116920 25.51804 
1 1 1   19   22    0 o   63.987   13.886   12.920   5.1343   12.920   5.1343   12.920   5.1343   63.987   19.638   63.987   19.638 -0.000000 0.000000 
1 1 1   19   22    1 o   75.992   14.396   19.495   5.1184   14.222   11.208   20.884   5.7534   63.337   25.222   88.647   13.887 -25.31001 28.79260 
1 1 1   19   22    2 o   44.755   12.279   4.4523   3.8608   7.6669   5.4535   1.2223   5.4666   51.574   18.185   37.937   16.504 13.63695 24.55770 
1 1 1   19   22    3 o   35.644   10.266   2.0825   2.4978   2.8856   4.5989   1.7464   2.9749   39.126   15.950   32.162   12.930 6.964016 20.53296 
1 1 1   19   22    4 o  114.784   8.6481   34.019   4.6311   35.139   6.7891   33.044   6.3333  116.310   12.490  113.258   11.965 3.051529 17.29619 
1 1 1   19   22    5 o   79.386   16.024   21.728   6.3319   23.613   7.9538   18.466   10.463   87.863   19.839   70.910   25.168 16.95323 32.04730 
1 1 1   19   22    6 o   79.855   12.860   21.015   4.9469   26.609   6.2016   11.230   8.2028  100.616   13.189   59.094   22.081 41.52236 25.71967 
1 1 1   19   22    7 o   76.383   12.036   17.177   3.7762   15.666   7.5807   17.675   4.3550   69.453   21.315   83.313   11.185 -13.85956 24.07146 
1 1 1   19   22    8 f   82.404   16.076   25.008   6.8548   16.163   12.284   29.008   8.2606   65.560   26.303   99.248   18.490 -33.68810 32.15169 
1 1 1   19   22    9 o  109.112   21.222   47.984   11.173   46.992   16.138   48.898   15.483  106.222   30.747  112.002   29.259 -5.779404 42.44363 
1 1 1   19   22   10 o   79.362   16.907   20.679   6.6371   16.103   8.2995   28.798   11.054   69.066   22.450   89.659   25.287 -20.59289 33.81452 
1 1 1   19   22   11 o  132.343   18.569   63.130   10.554   66.678   13.074   56.493   17.880  150.756   18.557  113.930   32.170 36.82583 37.13819 
1 1 1   19   22   12 o  124.343   13.300   45.878   7.7008   45.280   11.266   46.402   10.550  122.283   19.713  126.403   17.859 -4.120049 26.60032 
1 1 1   19   22   13 o   88.103   14.390   24.645   5.7971   23.844   8.5613   25.324   7.8780   85.238   21.495   90.969   19.137 -5.730583 28.77935 
1 1 1   19   22   14 o  101.290   13.910   32.383   6.3681   25.186   9.2128   38.969   8.8123   85.422   22.692  117.159   16.094 -31.73790 27.82032 
1 1 1   19   22   15 o   66.433   14.474   14.756   4.9161   14.990   7.4915   14.579   6.5152   65.894   21.322   66.973   19.580 -1.078934 28.94819 
1 1 1   19   22   16 o   56.925   13.942   10.723   4.5244   9.7961   7.3609   11.286   5.7358   54.396   20.783   59.454   18.590 -5.057621 27.88415 
1 1 1   19   22   17 o   60.924   13.775   12.529   4.5141   10.311   7.5326   13.772   5.6388   55.242   21.044   66.607   17.781 -11.36575 27.55025 
1 1 1   19   23    0 o   39.873   14.361   6.4090   4.7562   6.4090   4.7562   6.4090   4.7562   39.873   20.310   39.873   20.310 -0.000000 0.000000 
1 1 1   19   23    1 o   52.500   12.842   7.8033   3.8231   5.5586   4.9195   11.226   6.0747   45.373   17.071   59.626   19.191 -14.25341 25.68475 
1 1 1   19   23    2 o   53.969   11.041   8.5682   2.8711   7.5908   5.1774   9.0023   3.4502   50.658   17.729   57.279   13.165 -6.621166 22.08204 
1 1 1   19   23    3 o   92.045   9.1401   21.862   3.8765   27.125   6.0955   18.288   5.0231  101.109   12.900   82.981   12.953 18.12800 18.28027 
1 1 1   19   23    4 o   47.251   12.101   4.9727   2.9591   10.235   6.3633   3.5208   3.3425   56.584   19.663   37.917   14.110 18.66702 24.20155 
1 1 1   19   23    5 o   39.900   10.822   3.9301   2.8246   2.0090   5.0914   4.7843   3.3950   37.810   16.183   41.989   14.374 -4.178654 21.64478 
1 1 1   19   23    6 o   61.111   13.940   12.283   4.6441   9.7244   6.8055   14.513   6.3533   54.872   20.186   67.349   19.232 -12.47762 27.88095 
1 1 1   19   23    7 o   85.258   14.929   21.140   5.0678   31.037   11.153   18.565   5.6891   90.264   25.379   80.252   15.731 10.01179 29.85857 
1 1 1   19   23    8 o   73.747   15.633   20.523   6.0229   16.023   11.525   22.213   7.0644   62.493   25.335   85.001   18.323 -22.50779 31.26604 
1 1 1   19   23    9 o   58.891   14.444   11.753   4.8553   11.101   7.6509   12.193   6.2824   56.853   21.309   60.929   19.506 -4.076183 28.88881 
1 1 1   19   23   10 o   58.692   14.085   11.680   4.7816   8.6652   7.3931   13.848   6.2694   52.131   20.571   65.254   19.244 -13.12306 28.16918 
1 1 1   20    0    1 o  261.498   26.671  188.750   43.310  188.750   43.310  188.750   43.310  261.498   37.719  261.498   37.719 -0.000000 0.000000 
1 1 1   20    0    2 o  267.843   15.986  179.192   27.836  179.192   27.836  179.192   27.836  267.843   22.608  267.843   22.608 -0.000000 0.000000 
1 1 1   20    0    3 o  145.359   9.6677   51.531   9.0992   51.531   9.0992   51.531   9.0992  145.359   13.672  145.359   13.672 -0.000000 0.000000 
1 1 1   20    0    4 o  184.670   13.357   84.814   15.912   84.814   15.912   84.814   15.912  184.670   18.890  184.670   18.890 -0.000000 0.000000 
1 1 1   20    0    5 o  294.747   17.481  219.128   33.503  219.128   33.503  219.128   33.503  294.747   24.722  294.747   24.722 -0.000000 0.000000 
1 1 1   20    0    6 o  293.172   17.695  217.365   33.711  217.365   33.711  217.365   33.711  293.172   25.024  293.172   25.024 -0.000000 0.000000 
1 1 1   20    0    7 o  282.045   17.264  200.871   31.628  200.871   31.628  200.871   31.628  282.045   24.415  282.045   24.415 -0.000000 0.000000 
1 1 1   20    0    8 o   83.801   11.614   18.539   5.7265   18.539   5.7265   18.539   5.7265   83.801   16.424   83.801   16.424 -0.000000 0.000000 
1 1 1   20    0    9 f   82.589   11.708   18.088   5.6681   18.088   5.6681   18.088   5.6681   82.589   16.557   82.589   16.557 -0.000000 0.000000 
1 1 1   20    0   10 o  136.636   7.6423   44.960   6.8023   44.960   6.8023   44.960   6.8023  136.636   10.808  136.636   10.808 -0.000000 0.000000 
1 1 1   20    0   11 o  279.428   11.535  189.406   21.138  189.406   21.138  189.406   21.138  279.428   16.313  279.428   16.313 -0.000000 0.000000 
1 1 1   20    0   12 o   78.451   12.764   16.853   5.7616   16.853   5.7616   16.853   5.7616   78.451   18.050   78.451   18.050 -0.000000 0.000000 
1 1 1   20    0   13 o   31.392   12.801   3.0598   4.2797   3.0598   4.2797   3.0598   4.2797   31.392   18.104   31.392   18.104 -0.000000 0.000000 
1 1 1   20    0   14 o  174.057   10.005   73.715   11.335   73.715   11.335   73.715   11.335  174.057   14.149  174.057   14.149 -0.000000 0.000000 
1 1 1   20    0   15 o  158.540   10.065   61.437   10.351   61.437   10.351   61.437   10.351  158.540   14.234  158.540   14.234 -0.000000 0.000000 
1 1 1   20    0   16 o  152.581   9.6339   56.813   9.5373   56.813   9.5373   56.813   9.5373  152.581   13.624  152.581   13.624 -0.000000 0.000000 
1 1 1   20    0   17 f   52.038   14.493   8.9933   4.7867   8.9933   4.7867   8.9933   4.7867   52.038   20.497   52.038   20.497 -0.000000 0.000000 
1 1 1   20    0   18 o   63.767   13.697   12.123   5.0391   12.123   5.0391   12.123   5.0391   63.767   19.370   63.767   19.370 -0.000000 0.000000 
1 1 1   20    0   19 o  213.676   14.362  114.807   19.862  114.807   19.862  114.807   19.862  213.676   20.311  213.676   20.311 -0.000000 0.000000 
1 1 1   20    0   20 f  125.133   12.368   39.948   9.6568   39.948   9.6568   39.948   9.6568  125.133   17.491  125.133   17.491 -0.000000 0.000000 
1 1 1   20    0   21 o   78.122   18.031   19.116   8.2448   19.116   8.2448   19.116   8.2448   78.122   25.499   78.122   25.499 -0.000000 0.000000 
1 1 1   20    0   22 o   32.874   13.301   3.5027   4.5641   3.5027   4.5641   3.5027   4.5641   32.874   18.810   32.874   18.810 -0.000000 0.000000 
1 1 1   20    0   23 o  177.338   9.9187   76.771   11.458   76.771   11.458   76.771   11.458  177.338   14.027  177.338   14.027 -0.000000 0.000000 
1 1 1   20    0   24 o  109.263   9.9707   29.977   6.8705   29.977   6.8705   29.977   6.8705  109.263   14.101  109.263   14.101 -0.000000 0.000000 
1 1 1   20    0   25 o   88.574   11.458   20.666   6.0441   20.666   6.0441   20.666   6.0441   88.574   16.204   88.574   16.204 -0.000000 0.000000 
1 1 1   20    0   26 o   26.553   11.679   1.3269   4.1347   1.3269   4.1347   1.3269   4.1347   26.553   16.517   26.553   16.517 -0.000000 0.000000 
1 1 1   20    0   27 o   29.827   13.048   1.9165   5.0901   1.9165   5.0901   1.9165   5.0901   29.827   18.453   29.827   18.453 -0.000000 0.000000 
1 1 1   20    0   28 o   47.950   15.148   8.2217   5.1035   8.2217   5.1035   8.2217   5.1035   47.950   21.422   47.950   21.422 -0.000000 0.000000 
1 1 1   20    0   29 o   32.666   13.527   3.3316   4.8945   3.3316   4.8945   3.3316   4.8945   32.666   19.130   32.666   19.130 -0.000000 0.000000 
1 1 1   20    0   30 o  100.009   15.963   28.300   9.2048   28.300   9.2048   28.300   9.2048  100.009   22.576  100.009   22.576 -0.000000 0.000000 
1 1 1   20    0   31 o   25.247   11.496   0.4052   4.4207   0.4052   4.4207   0.4052   4.4207   25.247   16.258   25.247   16.258 -0.000000 0.000000 
1 1 1   20    0   32 o   17.640   8.7482  -3.8018   3.8725  -3.8018   3.8725  -3.8018   3.8725   17.640   12.372   17.640   12.372 -0.000000 0.000000 
1 1 1   20    0   33 o   56.979   19.305   12.887   8.3714   12.887   8.3714   12.887   8.3714   56.979   27.302   56.979   27.302 -0.000000 0.000000 
1 1 1   20    0   34 o   33.120   13.286   3.8099   4.5031   3.8099   4.5031   3.8099   4.5031   33.120   18.790   33.120   18.790 -0.000000 0.000000 
1 1 1   20    0   35 o  116.222   9.7297   34.228   7.1982   34.228   7.1982   34.228   7.1982  116.222   13.760  116.222   13.760 -0.000000 0.000000 
1 1 1   20    0   36 o   42.599   15.116   7.0743   5.2239   7.0743   5.2239   7.0743   5.2239   42.599   21.377   42.599   21.377 -0.000000 0.000000 
1 1 1   20    0   37 o   96.412   13.585   26.103   7.6854   26.103   7.6854   26.103   7.6854   96.412   19.212   96.412   19.212 -0.000000 0.000000 
1 1 1   20    0   38 o   15.479   7.8387  -5.4731   3.7267  -5.4731   3.7267  -5.4731   3.7267   15.479   11.086   15.479   11.086 -0.000000 0.000000 
1 1 1   20    0   39 o   62.868   16.675   14.027   6.4705   14.027   6.4705   14.027   6.4705   62.868   23.583   62.868   23.583 -0.000000 0.000000 
1 1 1   20    0   40 o   22.456   10.564  -0.6199   4.2109  -0.6199   4.2109  -0.6199   4.2109   22.456   14.940   22.456   14.940 -0.000000 0.000000 
1 1 1   20    0   41 o   26.164   11.501   1.6599   4.0026   1.6599   4.0026   1.6599   4.0026   26.164   16.264   26.164   16.264 -0.000000 0.000000 
1 1 1   20    0   42 o   48.281   18.274   10.713   7.9854   10.713   7.9854   10.713   7.9854   48.281   25.844   48.281   25.844 -0.000000 0.000000 
1 1 1   20    1    0 o  180.197   21.015   87.255   22.982   87.255   22.982   87.255   22.982  180.197   29.720  180.197   29.720 -0.000000 0.000000 
1 1 1   20    1    1 o   83.907   13.282   18.272   5.0837   16.271   7.3508   20.106   7.0383   79.002   19.915   88.812   17.579 -9.809456 26.56385 
1 1 1   20    1    2 o  135.553   17.138   47.953   10.574   56.137   15.677   41.123   14.322  147.791   22.697  123.315   25.685 24.47623 34.27660 
1 1 1   20    1    3 o  241.196   20.767  158.176   21.899  159.322   37.856  157.600   26.847  235.377   34.413  247.016   23.255 -11.63922 41.53418 
1 1 1   20    1    4 o  279.120   15.982  200.542   20.741  177.758   29.128  223.977   29.541  261.599   23.825  296.640   21.308 -35.04059 31.96360 
1 1 1   20    1    5 o  165.035   12.661   60.692   7.3903   57.217   8.0493   79.345   18.649  154.586   11.142  175.484   22.739 -20.89793 25.32182 
1 1 1   20    1    6 o   61.586   12.045   7.2696   3.1374   5.1120   3.5253   15.487   6.8798   46.000   14.600   77.172   19.163 -31.17229 24.09100 
1 1 1   20    1    7 o  223.510   11.337  123.032   11.817  115.442   16.825  130.423   16.601  216.261   16.647  230.758   15.394 -14.49718 22.67351 
1 1 1   20    1    8 o  160.452   9.7491   62.417   7.3027   66.595   10.534   58.553   10.132  165.692   13.604  155.212   13.968 10.48030 19.49822 
1 1 1   20    1    9 o  175.102   9.1918   73.623   7.4237   77.498   11.580   70.919   9.6730  178.570   13.876  171.633   12.059 6.936966 18.38351 
1 1 1   20    1   10 o  161.456   9.0743   62.461   6.7477   66.326   10.599   59.826   8.7502  165.229   13.725  157.683   11.874 7.546204 18.14867 
1 1 1   20    1   11 o  190.283   9.4554   87.379   8.2722   90.416   12.996   85.311   10.726  192.461   14.449  188.104   12.201 4.356644 18.91071 
1 1 1   20    1   12 o  230.083   11.208  130.484   12.012  143.957   17.153  117.518   16.826  242.258   15.150  217.909   16.522 24.34830 22.41662 
1 1 1   20    1   13 o  169.270   9.4940   69.930   7.4698   63.476   10.742   75.974   10.395  161.262   14.253  177.277   12.546 -16.01570 18.98809 
1 1 1   20    1   14 o   51.383   11.491   6.2780   3.2127   8.9570   4.6091   3.7462   4.4806   59.211   16.191   43.555   16.311 15.65604 22.98199 
1 1 1   20    1   15 o   70.352   10.954   12.622   3.5030   12.808   4.8776   12.424   5.0342   70.998   15.161   69.707   15.816 1.290810 21.90889 
1 1 1   20    1   16 o  112.508   9.7148   31.169   5.0217   37.421   7.0948   24.893   7.1087  124.426   12.201  100.590   15.121 23.83636 19.42970 
1 1 1   20    1   17 o  135.493   9.4536   44.745   5.9781   47.434   8.4661   42.070   8.4424  139.721   12.965  131.266   13.762 8.455002 18.90720 
1 1 1   20    1   18 o  131.344   10.344   43.011   6.2003   38.992   9.5686   45.920   8.1406  125.164   16.358  137.523   12.666 -12.35915 20.68837 
1 1 1   20    1   19 o  289.679   18.776  230.577   25.417  226.297   35.800  234.927   36.091  286.698   26.719  292.660   26.387 -5.961609 37.55207 
1 1 1   20    1   20 o  150.740   17.230   60.686   12.076   65.884   18.238   56.629   16.114  155.893   25.033  145.587   23.683 10.30568 34.46065 
1 1 1   20    1   21 o  115.033   14.340   35.085   7.4096   38.562   10.000   30.852   11.033  123.720   17.295  106.345   22.879 17.37482 28.68010 
1 1 1   20    1   22 o  123.346   11.006   37.910   6.3143   33.699   8.8819   42.212   8.9784  116.004   16.383  130.687   14.700 -14.68278 22.01112 
1 1 1   20    1   23 o   56.340   11.561   7.7848   3.4333   12.058   5.0048   3.9866   4.7186   68.254   15.973   44.426   16.718 23.82734 23.12212 
1 1 1   20    1   24 o   70.034   11.442   12.970   3.6448   14.193   4.7605   11.238   5.6660   74.786   14.139   65.282   17.993 9.503517 22.88319 
1 1 1   20    1   25 o   50.149   11.769   6.2366   3.2196   6.4878   4.4137   5.9509   4.7067   50.799   16.359   49.499   16.925 1.300243 23.53855 
1 1 1   20    1   26 o   60.947   11.241   9.6219   3.4126   5.4949   4.7470   14.036   4.9093   48.102   16.965   73.792   14.751 -25.69000 22.48149 
1 1 1   20    1   27 o  101.265   10.082   25.653   4.7578   27.791   6.7349   23.523   6.7221  105.767   13.625   96.763   14.865 9.003716 20.16427 
1 1 1   20    1   28 o   76.125   12.017   15.256   4.1429   14.825   5.5262   15.810   6.2601   75.237   16.196   77.012   17.756 -1.775406 24.03317 
1 1 1   20    1   29 o   97.169   10.133   23.691   4.5788   25.067   6.3132   22.165   6.6507  100.538   13.436   93.799   15.171 6.738739 20.26581 
1 1 1   20    1   30 o  188.848   10.984   90.753   9.6902   92.321   13.597   89.136   13.813  190.784   15.250  186.911   15.813 3.872528 21.96850 
1 1 1   20    1   31 o   74.239   11.429   14.706   3.8574   16.306   5.4858   13.140   5.4250   78.691   15.468   69.788   16.829 8.903091 22.85793 
1 1 1   20    1   32 o   72.946   13.680   14.621   4.5227   13.658   5.4973   16.639   7.9563   70.721   16.869   75.171   21.540 -4.450394 27.35933 
1 1 1   20    1   33 o   86.280   10.153   19.287   3.9963   18.151   5.7002   20.385   5.6043   82.808   15.292   89.753   13.361 -6.945442 20.30680 
1 1 1   20    1   34 o   60.824   12.707   7.0666   3.6513   18.411   7.4922   3.5330   4.1814   80.504   20.002   41.144   15.678 39.35992 25.41398 
1 1 1   20    1   35 o   66.193   11.974   12.364   3.8211   8.8503   5.6422   15.341   5.1934   56.581   18.516   75.805   15.188 -19.22467 23.94870 
1 1 1   20    1   36 o   56.266   12.402   8.9325   3.5999   9.1781   5.3793   8.7333   4.8448   56.774   18.036   55.759   17.028 1.015343 24.80430 
1 1 1   20    1   37 o   28.946   9.2925  -2.7229   2.9495   1.0383   3.9996  -7.2069   4.3670   33.953   14.432   23.939   11.709 10.01423 18.58491 
1 1 1   20    1   38 o   71.193   18.274   14.954   6.1111   14.954   6.1111   0.0000   0.0000   71.193   18.274  ?   ?       ?      ? 
1 1 1   20    1   39 o   49.674   12.882   6.6044   4.7468   11.027   5.4535  -7.2183   9.6411   60.853   17.949   38.496   18.482 22.35731 25.76303 
1 1 1   20    1   40 o   58.969   13.859   9.9845   4.2348   8.2934   5.1314   13.596   7.4991   53.275   17.669   64.663   21.356 -11.38868 27.71759 
1 1 1   20    1   41 o   55.059   14.023   8.7320   5.1583   2.1088   7.5341   14.576   7.0771   43.066   19.034   67.051   20.598 -23.98460 28.04555 
1 1 1   20    1   42 o   38.599   9.7998   2.3900   2.7700   7.4685   3.8620  -2.9900   3.9750   50.764   15.137   26.435   12.451 24.32933 19.59956 
1 1 1   20    2    0 o  239.052   15.417  142.810   23.893  142.810   23.893  142.810   23.893  239.052   21.803  239.052   21.803 -0.000000 0.000000 
1 1 1   20    2    1 o  175.919   12.277   76.815   9.9976   64.673   14.019   89.381   14.262  160.980   18.634  190.858   15.989 -29.87817 24.55328 
1 1 1   20    2    2 o  148.646   12.410   51.685   6.9643   49.605   7.7638   60.255   15.756  143.825   11.550  153.467   21.969 -9.641617 24.81990 
1 1 1   20    2    3 o  208.287   18.117  115.934   16.391  119.376   20.143  109.185   28.202  217.752   19.793  198.821   30.351 18.93042 36.23465 
1 1 1   20    2    4 o  253.479   15.959  165.365   18.905  166.993   26.780  163.748   26.691  254.805   22.489  252.152   22.650 2.653336 31.91802 
1 1 1   20    2    5 f  123.312   10.238   37.775   5.3961   35.033   9.6268   39.031   6.5160  118.906   17.324  127.719   10.917 -8.812416 20.47620 
1 1 1   20    2    6 o   86.149   10.500   17.444   4.0417   23.000   6.6864   14.244   5.0735   97.095   14.735   75.203   14.962 21.89151 20.99949 
1 1 1   20    2    7 o  152.708   8.8936   56.262   6.3455   57.921   9.0016   54.624   8.9464  155.003   12.426  150.413   12.727 4.589676 17.78716 
1 1 1   20    2    8 o  103.458   8.2514   25.618   3.9429   25.077   5.1722   26.368   6.0923  102.361   10.812  104.554   12.468 -2.193405 16.50286 
1 1 1   20    2    9 o   54.444   10.717   7.5184   2.8187   7.9173   3.7229   6.9826   4.3147   55.979   14.206   52.908   16.050 3.071339 21.43393 
1 1 1   20    2   10 o  118.893   8.9885   33.916   4.9757   37.978   7.3926   30.551   6.7276  125.383   12.616  112.402   12.807 12.98082 17.97708 
1 1 1   20    2   11 o  126.676   9.0557   38.818   5.3461   38.841   7.8559   38.799   7.2962  126.547   13.283  126.804   12.312 -0.2572708 18.11139 
1 1 1   20    2   12 o  103.844   9.4575   26.410   4.5357   22.237   6.4816   30.414   6.3494   95.378   14.541  112.309   12.097 -16.93069 18.91491 
1 1 1   20    2   13 o  183.157   10.033   81.970   8.5750   79.381   12.329   84.396   11.934  180.096   14.648  186.218   13.713 -6.122284 20.06520 
1 1 1   20    2   14 o  120.697   9.2817   35.296   5.2270   36.358   7.6545   34.369   7.1549  122.302   13.392  119.091   12.855 3.211433 18.56341 
1 1 1   20    2   15 o  133.576   9.1576   43.128   5.6801   50.229   8.2890   36.842   7.7990  144.145   12.304  123.008   13.566 21.13660 18.31522 
1 1 1   20    2   16 o   83.876   9.9652   17.344   3.8238   18.565   5.6214   16.293   5.2167   87.222   13.790   80.529   14.389 6.692970 19.93043 
1 1 1   20    2   17 o  134.419   10.209   43.008   6.3138   54.728   9.9103   35.001   8.1915  149.487   14.185  119.351   14.686 30.13660 20.41797 
1 1 1   20    2   18 o   89.330   12.116   20.498   4.8703   19.841   6.7201   21.225   7.0686   87.857   16.981   90.803   17.288 -2.945717 24.23288 
1 1 1   20    2   19 o  102.153   11.396   25.927   5.4345   24.934   7.4720   27.043   7.9187  100.138   15.966  104.169   16.266 -4.030556 22.79216 
1 1 1   20    2   20 o   91.605   10.826   20.396   4.4716   17.737   5.7101   24.612   7.1905   83.595   15.175   99.615   15.445 -16.02041 21.65224 
1 1 1   20    2   21 o   53.598   12.586   7.1172   3.6146   7.5092   4.4992   6.4038   6.0702   54.325   16.369   52.871   19.123 1.454674 25.17204 
1 1 1   20    2   22 o  153.809   11.204   58.919   8.0470   55.941   11.152   62.155   11.623  149.701   15.940  157.917   15.749 -8.216309 22.40770 
1 1 1   20    2   23 o   81.584   12.222   17.021   4.6570   10.633   6.3314   24.552   6.8742   63.611   19.473   99.557   14.774 -35.94528 24.44306 
1 1 1   20    2   24 o   98.385   10.643   24.075   4.8742   24.338   7.2324   23.856   6.5977   98.615   15.693   98.154   14.383 0.4609833 21.28651 
1 1 1   20    2   25 o   65.111   12.397   11.149   3.7780   10.932   4.7851   11.507   6.1560   64.673   15.935   65.549   18.995 -0.8757324 24.79376 
1 1 1   20    2   26 o  147.501   9.1203   53.884   6.2294   45.662   8.7675   62.265   8.8525  135.497   13.845  159.504   11.875 -24.00706 18.24055 
1 1 1   20    2   27 o  129.754   9.7426   41.928   5.8551   35.327   8.1685   48.903   8.3971  118.674   14.728  140.835   12.758 -22.16053 19.48524 
1 1 1   20    2   28 o   51.158   11.605   6.5325   3.3294   9.2182   4.5301   3.3777   4.9098   59.290   15.985   43.026   16.829 16.26350 23.21072 
1 1 1   20    2   29 o  126.292   9.4140   39.597   5.5474   37.835   7.9336   41.282   7.7596  123.287   13.769  129.298   12.841 -6.010170 18.82794 
1 1 1   20    2   30 o   68.115   11.544   12.338   3.6231   12.242   5.2796   12.424   4.9811   67.665   16.778   68.565   15.860 -0.8995056 23.08780 
1 1 1   20    2   31 f   73.364   12.951   16.149   4.6699   19.830   5.6970   8.6093   8.1530   88.644   13.752   58.083   21.949 30.56039 25.90124 
1 1 1   20    2   32 f   56.103   13.638   8.3689   4.1175   8.2629   4.9262   8.6146   7.5004   55.193   17.223   57.014   21.152 -1.821060 27.27691 
1 1 1   20    2   33 o  111.559   11.892   32.078   5.9396   30.191   7.3419   35.652   10.105  108.585   14.468  114.532   18.878 -5.947281 23.78445 
1 1 1   20    2   34 o  109.856   13.250   34.864   6.1174   40.340   7.7476   25.797   9.9690  126.634   13.091   93.078   23.040 33.55594 26.49970 
1 1 1   20    2   35 o   69.003   18.498   15.160   8.2064   15.096   11.621   15.225   11.590   68.899   26.164   69.107   26.157 -0.2087631 36.99652 
1 1 1   20    2   36 o   42.821   13.023   2.2506   3.8963   1.9163   4.3460   3.6197   8.7959   36.968   15.332   48.675   21.055 -11.70722 26.04633 
1 1 1   20    2   37 o   30.595   13.487  -0.2154   3.7587  -0.2154   3.7587   0.0000   0.0000   30.595   13.487  ?   ?       ?      ? 
1 1 1   20    2   38 f   49.329   12.162   5.3712   3.5820   1.8151   4.5077   11.464   5.9003   36.831   15.470   61.828   18.771 -24.99678 24.32496 
1 1 1   20    2   39 o   53.032   12.509   8.1934   3.6283   7.9279   5.5058   8.3973   4.8239   52.261   18.283   53.803   17.079 -1.541473 25.01881 
1 1 1   20    2   40 o   75.453   12.292   17.161   4.3913   12.350   6.6800   20.822   5.8273   62.643   20.120   88.264   14.127 -25.62047 24.58411 
1 1 1   20    2   41 o   59.819   12.153   10.575   3.6352   13.206   5.3035   8.2432   4.9925   66.896   16.945   52.742   17.425 14.15444 24.30558 
1 1 1   20    2   42 o   69.710   10.834   13.593   3.5424   9.4464   4.7062   19.013   5.3807   55.903   16.718   83.518   13.785 -27.61539 21.66884 
1 1 1   20    3    0 o   19.211   9.5056  -4.4264   4.4976  -4.4264   4.4976  -4.4264   4.4976   19.211   13.443   19.211   13.443 -0.000000 0.000000 
1 1 1   20    3    1 o  216.344   16.376  119.786   14.172  118.651   16.339  123.236   28.482  219.840   15.902  212.848   28.632 6.992218 32.75176 
1 1 1   20    3    2 o  184.164   10.995   81.377   9.2863   74.645   11.855   92.068   14.940  175.075   14.488  193.253   16.542 -18.17810 21.98947 
1 1 1   20    3    3 o  297.149   13.783  222.552   18.899  225.127   24.977  219.103   28.903  300.963   17.758  293.336   21.083 7.626282 27.56543 
1 1 1   20    3    4 o  149.487   8.5111   53.521   5.8860   52.160   7.7505   55.375   9.0474  147.525   11.241  151.449   12.782 -3.924316 17.02229 
1 1 1   20    3    5 o  161.433   8.9328   62.891   6.7386   61.994   9.5527   63.779   9.5070  160.238   12.756  162.628   12.508 -2.390518 17.86559 
1 1 1   20    3    6 o  143.948   8.4757   50.411   5.6060   46.197   8.5226   53.624   7.4428  138.146   13.201  149.751   10.635 -11.60442 16.95148 
1 1 1   20    3    7 o  213.367   11.251  111.008   10.547  114.889   18.428  109.117   12.862  214.317   18.399  212.416   12.956 1.901169 22.50276 
1 1 1   20    3    8 o  184.706   8.9743   80.848   7.6694   94.595   11.903   71.089   10.028  197.786   12.877  171.626   12.503 26.16022 17.94855 
1 1 1   20    3    9 o  184.935   10.230   83.515   8.8361   81.848   12.636   85.109   12.361  182.958   14.777  186.912   14.151 -3.953201 20.46017 
1 1 1   20    3   10 o  115.786   8.8707   32.317   4.7914   35.164   6.9379   29.721   6.6251  120.725   12.297  110.847   12.789 9.878021 17.74136 
1 1 1   20    3   11 o  191.099   11.068   90.031   9.7170   90.783   12.686   88.963   15.114  192.997   14.065  189.200   17.093 3.796768 22.13604 
1 1 1   20    3   12 o  184.566   11.598   84.946   9.7665   87.683   12.673   80.943   15.326  189.486   14.311  179.645   18.255 9.841385 23.19540 
1 1 1   20    3   13 o  251.889   15.599  166.104   17.823  173.687   23.069  154.875   28.072  262.473   18.806  241.305   24.892 21.16774 31.19733 
1 1 1   20    3   14 o  189.191   11.723   88.997   10.158   89.690   13.179   87.982   15.942  191.260   14.744  187.121   18.230 4.138458 23.44592 
1 1 1   20    3   15 o  119.586   11.173   35.011   6.1871   29.055   8.3635   42.211   9.1952  108.139   16.549  131.033   15.016 -22.89334 22.34558 
1 1 1   20    3   16 o   97.054   12.129   23.480   5.2782   21.993   6.7663   25.790   8.4358   94.423   15.333   99.686   18.797 -5.262024 24.25727 
1 1 1   20    3   17 o  161.375   17.086   70.732   11.423   72.450   13.840   67.061   20.231  169.927   17.427  152.822   29.394 17.10487 34.17160 
1 1 1   20    3   18 o  198.977   16.465  109.004   12.721  113.717   14.732   95.192   25.220  214.929   14.666  183.025   29.484 31.90416 32.93044 
1 1 1   20    3   19 o  178.367   12.953   73.075   9.7197   64.146   11.240   99.553   19.355  161.182   14.921  195.553   21.178 -34.37106 25.90645 
1 1 1   20    3   20 f  149.956   10.545   55.558   7.1549   55.508   9.0716   55.642   11.639  150.915   12.862  148.997   16.714 1.917923 21.09003 
1 1 1   20    3   21 o  110.974   11.093   29.330   5.5595   25.811   6.8770   35.970   9.4454  102.327   14.380  119.620   16.896 -17.29269 22.18665 
1 1 1   20    3   22 o   95.546   15.109   21.298   5.2630   19.594   5.7575   29.963   12.980   89.296   13.796  101.796   26.885 -12.49906 30.21781 
1 1 1   20    3   23 o  139.409   20.040   56.346   12.829   47.843   18.003   65.120   18.287  125.266   30.935  153.552   25.483 -28.28630 40.07962 
1 1 1   20    3   24 o  173.563   17.053   81.862   12.949   84.194   22.483   80.705   15.840  170.719   28.179  176.407   19.213 -5.688370 34.10572 
1 1 1   20    3   25 o  114.390   16.379   36.027   8.1698   37.323   14.026   35.362   10.051  112.016   27.089  116.764   18.419 -4.748207 32.75729 
1 1 1   20    3   26 o   78.438   15.744   17.373   6.0399   17.870   8.6203   16.895   8.4652   79.505   22.297   77.371   22.232 2.133896 31.48711 
1 1 1   20    3   27 o   91.142   11.483   19.837   4.6260   15.722   5.6817   27.928   7.9676   77.504   16.207  104.780   16.271 -27.27553 22.96557 
1 1 1   20    3   28 o  161.528   12.199   69.188   8.6630   75.602   10.970   58.560   14.121  174.685   13.437  148.371   20.364 26.31419 24.39776 
1 1 1   20    3   29 o   45.375   12.572   3.1084   3.3067   2.1173   3.7339   6.7109   7.1186   36.664   14.571   54.086   20.492 -17.42191 25.14478 
1 1 1   20    3   30 o   73.141   11.274   10.954   3.8525   4.9529   4.5732   25.619   7.1493   46.002   16.605  100.280   15.255 -54.27800 22.54816 
1 1 1   20    3   31 o   59.700   12.952   10.487   4.1969   12.932   4.9414   4.1559   7.9504   69.627   15.575   49.772   20.698 19.85518 25.90385 
1 1 1   20    3   32 o   86.599   10.543   19.598   4.1118   24.084   5.9461   15.487   5.6923   97.683   13.025   75.514   16.583 22.16909 21.08661 
1 1 1   20    3   33 o  163.019   10.601   68.366   8.0665   64.504   11.361   72.292   11.455  157.976   15.387  168.062   14.585 -10.08620 21.20110 
1 1 1   20    3   34 o   61.711   15.318   10.120   4.7288   10.611   11.163   10.013   5.2204   63.051   25.152   60.371   17.491 2.680355 30.63566 
1 1 1   20    3   35 o   64.014   13.169   11.794   4.2163   10.090   6.0498   13.405   5.8794   59.374   19.156   68.653   18.076 -9.279034 26.33757 
1 1 1   20    3   36 o   66.049   10.744   8.6088   3.7781   1.2769   4.5719   24.398   6.7091   36.218   15.414   95.880   14.972 -59.66214 21.48837 
1 1 1   20    3   37 f   73.361   10.563   14.307   3.8522   4.6225   5.1345   26.779   5.8266   44.419   17.255  102.302   12.187 -57.88323 21.12506 
1 1 1   20    3   38 o   45.134   11.433   5.4188   3.1808   6.9492   3.9677   2.6659   5.3212   49.928   15.437   40.339   16.868 9.589527 22.86508 
1 1 1   20    3   39 o   59.406   11.720   10.622   3.6143   13.902   4.7734   6.2154   5.5329   70.801   14.898   48.011   18.096 22.78920 23.43991 
1 1 1   20    3   40 o   51.268   11.222   7.3443   3.2100   10.780   4.4675   3.6777   4.6153   61.645   15.518   40.890   16.216 20.75560 22.44449 
1 1 1   20    3   41 o   44.711   10.991   4.7182   3.1527   0.5823   4.3738   9.1908   4.5483   33.543   14.674   55.879   16.366 -22.33562 21.98116 
1 1 1   20    3   42 o   61.351   11.076   10.531   3.1359   8.4096   3.9669   14.065   5.1203   53.705   15.148   68.998   16.162 -15.29318 22.15161 
1 1 1   20    4    0 o   67.922   10.387   12.359   4.0894   12.359   4.0894   12.359   4.0894   67.922   14.689   67.922   14.689 -0.000000 0.000000 
1 1 1   20    4    1 o  197.575   9.7021   93.702   8.8866  102.828   13.655   86.997   11.705  205.560   14.213  189.590   13.210 15.97011 19.40413 
1 1 1   20    4    2 o  285.837   13.060  205.777   17.164  194.203   26.220  214.456   22.705  276.842   20.266  294.832   16.478 -17.99084 26.11918 
1 1 1   20    4    3 o  247.854   11.280  151.202   12.924  150.152   19.707  151.995   17.119  246.151   17.131  249.557   14.678 -3.406464 22.55925 
1 1 1   20    4    4 o  336.710   16.645  295.473   26.165  309.553   36.999  281.387   37.008  345.664   22.903  327.756   24.160 17.90781 33.29064 
1 1 1   20    4    5 o  208.794   10.345  107.222   9.9355  111.811   13.141  101.098   15.180  214.943   13.082  202.645   16.028 12.29765 20.68929 
1 1 1   20    4    6 o  111.170   8.3236   29.810   4.3100   31.880   6.0172   27.629   6.1764  115.303   11.166  107.038   12.347 8.265121 16.64725 
1 1 1   20    4    7 o   81.868   9.3921   16.497   3.5043   17.540   4.8939   15.399   5.0201   85.287   12.278   78.448   14.216 6.839363 18.78417 
1 1 1   20    4    8 o   78.498   8.9979   14.918   3.2050   17.766   4.8025   12.631   4.3036   85.889   11.964   71.106   13.443 14.78262 17.99585 
1 1 1   20    4    9 o   96.159   7.6634   22.216   3.4318   20.276   4.8808   24.113   4.8262   91.877   11.367  100.442   10.281 -8.564568 15.32687 
1 1 1   20    4   10 o   89.166   7.7510   18.995   3.1828   23.671   4.6707   14.941   4.3488   99.559   10.038   78.773   11.813 20.78564 15.50191 
1 1 1   20    4   11 o   57.135   11.225   8.3440   3.1470   6.6495   4.5711   9.8708   4.3390   51.999   16.638   62.271   15.072 -10.27283 22.44923 
1 1 1   20    4   12 o  118.070   10.406   32.975   5.6271   28.447   7.1397   40.399   9.1425  107.946   14.152  128.193   15.260 -20.24721 20.81253 
1 1 1   20    4   13 o  140.564   11.736   49.011   7.5599   37.553   10.388   61.915   11.023  122.273   18.178  158.855   14.848 -36.58240 23.47138 
1 1 1   20    4   14 o  187.080   12.862   88.006   11.235   83.105   15.756   93.075   16.023  181.499   18.576  192.661   17.795 -11.16295 25.72400 
1 1 1   20    4   15 o  184.801   16.898   90.251   13.541   90.905   23.831   89.939   16.455  181.018   28.170  188.585   18.670 -7.566299 33.79510 
1 1 1   20    4   16 o  112.193   15.466   32.297   7.2864   35.853   13.503   30.837   8.6546  113.176   26.067  111.210   16.652 1.966644 30.93139 
1 1 1   20    4   17 o  105.031   13.814   28.574   6.4628   30.894   10.020   26.922   8.4569  108.133   20.580  101.929   18.431 6.203529 27.62701 
1 1 1   20    4   18 o   65.246   15.013   9.9073   5.1399   15.760   8.7256   6.7973   6.3607   76.195   22.759   54.297   19.585 21.89806 30.02578 
1 1 1   20    4   19 o   61.176   14.279   8.7008   4.4489   12.498   8.1037   7.0629   5.3227   68.705   22.170   53.646   18.000 15.05944 28.55747 
1 1 1   20    4   20 o   66.823   11.591   11.757   3.7004   15.454   5.1383   7.7740   5.3335   78.072   14.620   55.573   17.992 22.49911 23.18264 
1 1 1   20    4   21 o   43.324   12.106   2.2372   4.1328 -10.4840   8.4173   6.2781   4.7440   35.908   17.247   50.741   16.994 -14.83316 24.21249 
1 1 1   20    4   22 o   89.706   12.028   20.378   4.7546   18.778   6.0392   22.986   7.7112   85.700   15.655   93.712   18.263 -8.012077 24.05509 
1 1 1   20    4   23 o   42.978   11.788   3.2543   3.2192   2.8519   3.9256   4.0804   5.6249   39.427   15.150   46.529   18.065 -7.101830 23.57697 
1 1 1   20    4   24 f   44.351   11.825   4.0810   3.2847   4.6214   4.0807   3.0867   5.5356   44.685   15.733   44.018   17.658 0.6676331 23.65058 
1 1 1   20    4   25 o   78.952   11.010   16.822   3.9904   8.1990   5.6783   25.236   5.6089   56.328   18.582  101.576   11.815 -45.24740 22.02050 
1 1 1   20    4   26 o  162.032   10.166   65.656   7.6939   65.656   10.702   65.655   11.069  162.224   14.116  161.840   14.635 0.3846436 20.33274 
1 1 1   20    4   27 o   92.824   10.788   21.882   4.5026   17.221   6.1735   27.179   6.5812   80.897   16.875  104.751   13.443 -23.85435 21.57507 
1 1 1   20    4   28 o  156.517   10.133   61.971   7.2357   65.459   9.4681   57.074   11.219  163.149   12.418  149.885   16.016 13.26353 20.26579 
1 1 1   20    4   29 o  134.143   9.1175   44.752   5.6675   38.144   7.9655   51.527   8.0656  123.519   13.799  144.766   11.921 -21.24666 18.23508 
1 1 1   20    4   30 o   46.249   11.288   5.2259   2.9645   4.5748   4.0625   5.9676   4.3356   44.004   15.676   48.495   16.246 -4.491291 22.57543 
1 1 1   20    4   31 o  128.130   11.547   42.781   6.6503   44.150   11.019   41.997   8.3406  127.791   18.450  128.467   13.892 -0.6759033 23.09496 
1 1 1   20    4   32 o   81.980   13.154   17.176   4.7591   25.427   8.2801   13.105   5.8156   95.319   19.250   68.641   17.932 26.67803 26.30817 
1 1 1   20    4   33 o  112.491   15.944   35.702   6.6306   38.069   14.803   35.107   7.4162  107.054   28.909  117.929   13.456 -10.87440 31.88735 
1 1 1   20    4   34 o   66.954   13.938   14.326   4.8883   5.0499   10.496   16.895   5.5239   54.290   23.235   79.617   15.403 -25.32698 27.87685 
1 1 1   20    4   35 o   79.830   13.360   19.875   5.3725   9.9041   8.3773   26.841   7.0020   58.631   22.227  101.029   14.830 -42.39748 26.71968 
1 1 1   20    4   36 o   48.468   12.183   6.3082   3.5404   7.6301   4.6027   4.3928   5.5404   52.270   16.692   44.666   17.750 7.604492 24.36564 
1 1 1   20    4   37 f   62.640   11.569   11.095   3.4184   10.273   4.6550   12.058   5.0360   60.199   16.193   65.081   16.527 -4.881508 23.13719 
1 1 1   20    4   38 f   51.078   11.213   6.6806   3.5599   12.629   4.9260   0.1778   5.1503   66.681   16.009   35.475   15.705 31.20599 22.42651 
1 1 1   20    4   39 o   70.796   11.883   14.619   3.7880   15.044   4.7609   13.887   6.2531   74.207   14.246   67.385   19.023 6.821716 23.76594 
1 1 1   20    4   40 o   60.384   12.662   11.645   4.0628   6.9641   6.9953   14.027   4.9908   50.352   19.965   70.415   15.578 -20.06270 25.32395 
1 1 1   20    4   41 o   44.944   10.926   5.7518   2.7776   6.4743   3.3673   4.2134   4.9134   47.948   14.093   41.940   16.700 6.008595 21.85181 
1 1 1   20    4   42 o   78.451   9.8088   16.318   3.4587   13.236   4.4105   21.239   5.5740   68.494   14.243   88.407   13.491 -19.91290 19.61754 
1 1 1   20    5    0 o  165.514   8.3890   65.919   9.0687   65.919   9.0687   65.919   9.0687  165.514   11.864  165.514   11.864 -0.000000 0.000000 
1 1 1   20    5    1 o  180.818   8.3203   78.630   7.0291   76.336   9.9237   80.939   9.9576  178.104   11.922  183.533   11.609 -5.429428 16.64068 
1 1 1   20    5    2 o  149.329   8.7097   54.315   5.9640   57.093   7.8500   50.522   9.1722  154.400   10.879  144.259   13.605 10.14111 17.41942 
1 1 1   20    5    3 o  157.104   8.6903   59.534   6.3183   59.352   9.6121   59.672   8.3841  156.546   13.138  157.661   11.379 -1.114761 17.38050 
1 1 1   20    5    4 o   91.700   9.2123   20.349   3.9369   18.402   5.4945   22.404   5.6436   87.073   13.502   96.326   12.536 -9.252182 18.42461 
1 1 1   20    5    5 o  154.997   10.272   58.434   7.2731   59.775   11.616   57.570   9.3279  155.765   15.956  154.230   12.941 1.534576 20.54447 
1 1 1   20    5    6 o  219.760   11.559  119.773   11.780  136.420   16.690  103.250   16.628  235.885   15.139  203.635   17.472 32.24982 23.11872 
1 1 1   20    5    7 o  116.306   8.2345   32.539   4.4753   33.212   6.3346   31.869   6.3233  117.539   11.532  115.073   11.758 2.466301 16.46904 
1 1 1   20    5    8 o   75.224   9.7238   14.050   3.3236   13.241   4.9021   14.738   4.5216   72.327   14.994   78.121   12.385 -5.794357 19.44762 
1 1 1   20    5    9 o  111.509   10.610   32.402   4.9703   25.654   8.2002   36.320   6.2489   99.936   18.229  123.083   10.863 -23.14744 21.22066 
1 1 1   20    5   10 o  220.638   12.297  122.407   11.837  124.523   14.488  118.159   20.529  226.165   13.707  215.110   20.420 11.05498 24.59443 
1 1 1   20    5   11 o  199.122   10.537   97.274   9.8044   99.213   13.917   95.364   13.815  201.153   14.803  197.090   14.998 4.063095 21.07349 
1 1 1   20    5   12 o  176.139   13.317   72.679   9.6069   91.004   19.651   66.924   11.013  186.834   22.505  165.443   14.243 21.39087 26.63368 
1 1 1   20    5   13 o  145.868   17.245   60.089   10.246   48.672   18.011   65.552   12.458  129.247   30.338  162.490   16.405 -33.24345 34.48999 
1 1 1   20    5   14 o  148.530   13.298   54.772   8.5481   52.956   10.262   58.886   15.448  146.694   14.969  150.366   21.983 -3.671982 26.59547 
1 1 1   20    5   15 f  129.382   14.216   42.523   7.0506   41.766   8.0667   44.974   14.512  130.962   13.180  127.803   25.192 3.159470 28.43161 
1 1 1   20    5   16 o  141.991   15.889   54.139   9.6655   56.014   12.048   50.754   16.190  149.417   17.254  134.565   26.686 14.85197 31.77766 
1 1 1   20    5   17 o   58.513   12.179   8.8104   3.5792   7.5820   5.1398   9.9669   4.9871   54.979   17.648   62.048   16.790 -7.069164 24.35858 
1 1 1   20    5   18 o   58.992   14.107   7.9870   4.2923   11.091   7.9877   6.7269   5.0896   65.507   22.050   52.477   17.602 13.02997 28.21384 
1 1 1   20    5   19 o  109.399   9.6380   29.044   4.8841   34.962   7.2702   24.177   6.5936  119.688   12.997   99.110   14.235 20.57822 19.27608 
1 1 1   20    5   20 o   82.074   13.874   17.469   4.9134   19.106   9.0382   16.783   5.8539   83.345   22.624   80.804   16.067 2.541161 27.74873 
1 1 1   20    5   21 o  115.752   13.127   35.812   6.3657   30.971   10.875   38.335   7.8514  106.476   22.555  125.028   13.437 -18.55215 26.25416 
1 1 1   20    5   22 o  186.837   11.171   87.428   9.7001   98.829   13.879   76.543   13.562  199.446   14.890  174.228   16.656 25.21797 22.34130 
1 1 1   20    5   23 f  216.102   14.244  122.783   14.359  119.176   20.700  126.128   19.935  212.158   20.877  220.047   19.385 -7.889236 28.48896 
1 1 1   20    5   24 o  170.049   15.382   71.243   11.186   96.962   21.568   61.779   13.084  185.656   24.858  154.442   18.127 31.21332 30.76489 
1 1 1   20    5   25 o   98.674   17.234   26.349   6.2270   30.158   16.219   25.691   6.7439   95.929   31.394  101.419   14.228 -5.490082 34.46753 
1 1 1   20    5   26 o  169.116   21.251   93.321   12.876   72.912   26.920   99.376   14.662  140.117   39.441  198.114   15.836 -57.99628 42.50112 
1 1 1   20    5   27 o  107.098   12.981   29.786   6.2505   32.092   9.8551   28.234   8.0846  108.930   20.099  105.265   16.433 3.664917 25.96206 
1 1 1   20    5   28 o  135.940   10.836   46.082   6.6148   49.442   11.121   44.242   8.2285  138.355   17.200  133.526   13.186 4.828644 21.67249 
1 1 1   20    5   29 o  169.612   11.613   75.298   8.8178   69.877   14.295   78.628   11.203  162.014   18.879  177.210   13.527 -15.19533 23.22523 
1 1 1   20    5   30 o  198.537   9.9039  100.751   9.0225   79.815   12.676  122.251   12.845  175.779   15.430  221.294   12.420 -45.51456 19.80782 
1 1 1   20    5   31 o  130.128   8.3239   41.373   4.9898   37.742   6.4356   46.847   7.9010  123.516   11.149  136.741   12.363 -13.22592 16.64775 
1 1 1   20    5   32 o   54.931   10.786   7.3390   2.7719   5.5901   3.3902   10.866   4.8146   46.464   14.253   63.398   16.192 -16.93430 21.57167 
1 1 1   20    5   33 o   41.718   10.439   2.7589   2.3984   1.0420   2.7935   7.5738   4.6780   30.192   12.384   53.243   16.810 -23.05120 20.87873 
1 1 1   20    5   34 o   75.552   10.790   13.751   3.3901   11.465   3.9708   19.897   6.5110   66.079   13.318   85.024   16.980 -18.94472 21.57992 
1 1 1   20    5   35 o   67.977   11.570   11.891   3.2850   10.652   3.8074   15.502   6.4974   63.307   13.292   72.647   18.942 -9.340515 23.14037 
1 1 1   20    5   36 o   54.029   10.087   6.0355   2.7050   2.2940   3.2384   14.671   4.9200   34.712   13.641   73.347   14.862 -38.63451 20.17323 
1 1 1   20    5   37 o   39.296   10.063   2.3035   2.9859   7.2952   3.9508  -4.3455   4.5598   51.147   15.323   27.445   13.047 23.70216 20.12512 
1 1 1   20    5   38 o   29.418   9.5561  -1.7794   2.9765  -1.1999   3.8780  -2.6104   4.6435   29.065   13.185   29.770   13.836 -0.7043171 19.11228 
1 1 1   20    5   39 o   81.041   14.614   19.318   5.4502   27.874   9.1373   14.593   6.7904   93.901   21.309   68.180   20.005 25.72089 29.22843 
1 1 1   20    5   40 o   59.368   11.663   10.403   3.5539   6.4184   5.0480   14.319   5.0042   47.772   17.414   70.964   15.521 -23.19254 23.32698 
1 1 1   20    5   41 o   60.153   12.223   10.976   3.7836   15.095   5.4971   7.2673   5.2156   71.025   16.820   49.280   17.740 21.74479 24.44617 
1 1 1   20    6    0 o  108.508   7.4563   28.600   5.2314   28.600   5.2314   28.600   5.2314  108.508   10.545  108.508   10.545 -0.000000 0.000000 
1 1 1   20    6    1 o  100.284   7.5834   24.092   3.5522   23.210   5.0257   24.973   5.0216   98.402   10.928  102.165   10.517 -3.763138 15.16685 
1 1 1   20    6    2 o  174.812   8.3770   73.579   6.8436   74.244   9.6691   72.911   9.6876  175.633   11.780  173.992   11.914 1.640747 16.75404 
1 1 1   20    6    3 o  238.591   10.237  139.117   11.407  133.143   16.124  145.103   16.139  233.234   14.792  243.949   14.156 -10.71495 20.47445 
1 1 1   20    6    4 o  143.369   7.6976   49.260   5.1491   45.609   7.2082   53.066   7.3581  137.842   11.189  148.895   10.574 -11.05341 15.39511 
1 1 1   20    6    5 o  122.940   7.2617   36.074   4.1529   31.566   5.7480   40.997   6.0068  114.795   10.714  131.085   9.8051 -16.29005 14.52335 
1 1 1   20    6    6 o   48.575   10.397   5.9121   2.5719   4.8573   4.0308   6.6365   3.3403   45.811   15.663   51.339   13.676 -5.527958 20.79312 
1 1 1   20    6    7 o   86.189   10.523   18.697   4.0316   19.647   5.2430   17.324   6.3061   90.162   12.443   82.216   16.974 7.945824 21.04632 
1 1 1   20    6    8 o  121.561   10.193   36.600   5.6039   38.276   7.1944   34.015   8.9361  125.901   12.227  117.220   16.312 8.680061 20.38573 
1 1 1   20    6    9 o  151.113   14.197   58.194   9.4889   58.105   16.146   58.241   11.728  148.914   23.201  153.312   16.368 -4.398178 28.39330 
1 1 1   20    6   10 o  111.582   11.593   31.516   5.0979   30.548   9.9116   31.864   5.9445  107.983   20.387  115.181   11.043 -7.198273 23.18616 
1 1 1   20    6   11 o  188.654   16.488   94.235   13.597   95.872   16.732   91.051   23.331  195.098   18.351  182.210   27.398 12.88760 32.97596 
1 1 1   20    6   12 o   46.348   13.574  -1.2884   5.6974 -13.6330   8.8170   7.5615   7.4654   35.003   17.013   57.694   21.155 -22.69099 27.14747 
1 1 1   20    6   13 o  118.978   15.224   36.702   8.0488   35.071   10.203   39.389   13.097  117.746   18.541  120.210   24.151 -2.463806 30.44711 
1 1 1   20    6   14 o  214.953   14.807  119.947   14.807  110.170   21.218  129.229   20.672  205.169   22.128  224.737   19.682 -19.56757 29.61472 
1 1 1   20    6   15 o  179.708   12.745   81.580   10.700   81.912   15.369   81.267   14.905  179.868   18.283  179.547   17.763 0.3211212 25.49098 
1 1 1   20    6   16 o  155.685   12.710   61.715   9.1658   55.438   13.326   67.352   12.627  147.158   19.376  164.211   16.454 -17.05257 25.41946 
1 1 1   20    6   17 f   49.843   13.998   4.2912   4.8395   3.9146   7.4186   4.5701   6.3851   50.287   20.347   49.399   19.228 0.8882256 27.99521 
1 1 1   20    6   18 o  171.748   18.239   82.900   12.870   76.003   22.735   86.152   15.612  159.312   31.650  184.184   18.137 -24.87221 36.47863 
1 1 1   20    6   19 o  105.575   16.175   35.835   6.7435   19.520   14.692   40.190   7.5903   82.737   29.775  128.413   12.648 -45.67529 32.35007 
1 1 1   20    6   20 o  137.354   10.991   45.841   6.7866   51.363   11.500   42.891   8.4063  142.545   17.263  132.163   13.610 10.38208 21.98279 
1 1 1   20    6   21 o   56.891   13.685   5.1336   4.2458   15.237   8.1729   1.3991   4.9689   74.608   21.963   39.174   16.333 35.43420 27.37079 
1 1 1   20    6   22 o   70.193   14.299   13.711   4.7679   10.991   9.0920   14.743   5.5997   65.212   23.428   75.174   16.400 -9.961266 28.59744 
1 1 1   20    6   23 o   71.757   15.534   13.369   5.5769   18.805   9.2787   10.295   6.9779   81.252   23.255   62.262   20.602 18.98969 31.06838 
1 1 1   20    6   24 o   63.302   14.197   10.841   5.4395   1.2407   8.9249   16.515   6.8612   48.564   21.108   78.039   18.992 -29.47425 28.39466 
1 1 1   20    6   25 o  116.762   17.012   34.941   9.2834   0.0000   0.0000   34.941   9.2834  ?   ?   116.762   17.012      ?      ? 
1 1 1   20    6   26 o  113.493   17.721   37.253   7.3126   36.210   17.595   37.470   8.0398  104.312   32.550  122.673   14.023 -18.36098 35.44276 
1 1 1   20    6   27 o   91.336   13.530   22.393   5.3639   22.043   9.3783   22.563   6.5389   87.949   22.672   94.723   14.771 -6.773514 27.05955 
1 1 1   20    6   28 o  171.139   11.698   74.320   9.1215   81.362   14.855   70.057   11.557  175.987   18.062  166.290   14.870 9.697083 23.39553 
1 1 1   20    6   29 o   63.322   12.398   12.337   4.3995   1.4162   8.1715   16.794   5.2208   46.300   20.161   80.345   14.434 -34.04500 24.79528 
1 1 1   20    6   30 o   39.970   11.826   2.0908   3.5617   0.0049   6.5513   2.9660   4.2436   40.230   17.766   39.709   15.612 0.5218010 23.65113 
1 1 1   20    6   31 o   95.697   14.898   31.158   6.3233   15.146   12.222   37.011   7.3891   70.192   26.790  121.202   13.045 -51.00932 29.79690 
1 1 1   20    6   32 f  103.453   15.846   29.978   7.0085   35.201   12.594   27.635   8.4352  106.653   25.594  100.254   18.691 6.399033 31.69226 
1 1 1   20    6   33 o   81.476   13.729   18.979   5.1501   18.671   7.4704   19.258   7.1097   80.392   19.972   82.559   18.842 -2.166588 27.45745 
1 1 1   20    6   34 o   84.727   14.447   21.547   5.6561   19.978   8.3764   22.862   7.6682   80.462   21.754   88.991   19.015 -8.528160 28.89301 
1 1 1   20    6   35 o  104.146   13.072   32.760   5.8167   22.891   9.1400   39.478   7.5408   84.691   22.651  123.601   13.054 -38.90933 26.14384 
1 1 1   20    6   36 o   90.604   13.430   31.486   6.0961   6.9590   11.579   40.892   7.1704   54.921   23.954  126.286   12.149 -71.36473 26.85917 
1 1 1   20    6   37 o   58.620   13.500   9.9347   4.1465   13.015   6.8021   8.1130   5.2308   64.372   20.263   52.868   17.843 11.50394 26.99981 
1 1 1   20    6   38 o   40.033   10.777   3.8270   2.7802   4.7805   3.2757   1.3709   5.2574   42.404   14.120   37.661   16.285 4.743011 21.55366 
1 1 1   20    6   39 o   49.341   11.581   6.2458   2.9240   4.9400   3.4952   9.2907   5.3373   42.953   14.585   55.729   17.994 -12.77598 23.16253 
1 1 1   20    6   40 o   39.247   10.743   3.6927   2.8359   4.7512   3.4050   1.2957   5.1239   41.878   14.393   36.615   15.954 5.262863 21.48671 
1 1 1   20    6   41 o   51.297   15.446   6.1571   4.4559   13.984   14.262   5.3104   4.6907   58.583   26.025   44.011   16.644 14.57170 30.89204 
1 1 1   20    7    0 o  192.413   9.0018   89.166   11.333   89.166   11.333   89.166   11.333  192.413   12.731  192.413   12.731 -0.000000 0.000000 
1 1 1   20    7    1 o  232.437   9.8612  131.700   10.711  129.150   15.137  134.258   15.157  230.093   14.076  234.781   13.814 -4.688553 19.72240 
1 1 1   20    7    2 o  108.301   7.4767   28.274   3.7525   24.467   5.3561   31.945   5.2589  100.891   11.359  115.712   9.7247 -14.82108 14.95344 
1 1 1   20    7    3 o  101.780   8.6557   26.131   3.9045   30.037   5.0622   20.393   6.1347  112.218   9.6523   91.342   14.371 20.87633 17.31147 
1 1 1   20    7    4 o  175.150   8.4036   74.018   6.8678   78.750   9.7151   69.291   9.7099  180.926   11.490  169.374   12.267 11.55243 16.80713 
1 1 1   20    7    5 o  171.493   8.2386   70.923   6.5867   76.510   9.3155   65.337   9.3144  178.463   11.169  164.523   12.114 13.93985 16.47711 
1 1 1   20    7    6 o   93.830   8.0345   20.603   3.4714   17.876   4.4682   24.755   5.5136   86.275   11.082  101.385   11.636 -15.11005 16.06895 
1 1 1   20    7    7 o   89.411   11.458   20.301   4.6113   20.339   6.4829   20.262   6.5605   89.548   16.082   89.273   16.326 0.2751312 22.91637 
1 1 1   20    7    8 f   87.148   9.7958   17.476   3.7744   24.731   6.3987   13.604   4.6742  100.756   13.589   73.541   14.113 27.21495 19.59159 
1 1 1   20    7    9 o   85.348   9.6676   17.967   3.7097   22.254   5.4125   14.170   5.0945   95.971   12.067   74.725   15.107 21.24635 19.33518 
1 1 1   20    7   10 o  116.926   9.0406   33.948   4.8076   28.521   7.2832   38.140   6.4000  107.844   14.451  126.007   10.868 -18.16288 18.08117 
1 1 1   20    7   11 o  126.781   10.686   40.492   5.9489   42.530   7.3918   36.745   10.023  132.658   11.923  120.903   17.738 11.75509 21.37265 
1 1 1   20    7   12 o   96.292   14.099   24.636   5.7481   25.411   6.8798   22.843   10.461  101.704   14.474   90.881   24.199 10.82284 28.19714 
1 1 1   20    7   13 o  178.234   13.068   80.608   10.851   73.322   15.269   88.042   15.424  169.474   19.278  186.993   17.649 -17.51930 26.13653 
1 1 1   20    7   14 o  132.096   12.100   43.727   7.4400   49.072   10.739   38.796   10.317  140.224   16.388  123.969   17.807 16.25488 24.20004 
1 1 1   20    7   15 o  117.979   12.866   35.917   6.8548   31.907   9.9592   39.527   9.4492  110.013   20.111  125.946   16.053 -15.93334 25.73296 
1 1 1   20    7   16 o  129.149   12.227   41.991   7.3419   42.357   10.957   41.693   9.8907  129.183   18.148  129.115   16.391 0.6823730E-01 24.45472 
1 1 1   20    7   17 o  120.084   12.874   36.658   7.2195   38.490   10.290   34.882   10.132  123.217   17.868  116.951   18.538 6.265327 25.74729 
1 1 1   20    7   18 o   75.719   15.172   15.590   5.8152   10.689   8.3505   20.205   8.1029   64.668   22.522   86.769   20.336 -22.10118 30.34468 
1 1 1   20    7   19 o   65.360   15.110   11.000   5.4082   14.269   7.8369   8.0273   7.4726   72.557   21.546   58.162   21.190 14.39523 30.21943 
1 1 1   20    7   20 o  139.629   12.638   49.766   8.2438   49.059   11.753   50.451   11.566  138.458   18.164  140.799   17.577 -2.340546 25.27560 
1 1 1   20    7   21 o  182.078   12.062   83.616   10.033   88.391   16.110   80.590   12.823  184.816   18.651  179.340   15.300 5.475830 24.12356 
1 1 1   20    7   22 o  139.173   11.510   49.232   7.1511   49.099   11.945   49.306   8.9278  137.302   18.615  141.045   13.544 -3.743240 23.02043 
1 1 1   20    7   23 o   81.659   14.406   18.553   5.3098   17.444   9.1314   19.120   6.5267   78.112   23.271   85.206   16.986 -7.093414 28.81111 
1 1 1   20    7   24 o   84.755   14.820   20.022   5.8217   18.661   8.8291   21.069   7.7435   81.231   22.490   88.278   19.307 -7.047615 29.63999 
1 1 1   20    7   25 o  113.011   17.085   30.919   7.6290   49.560   16.325   25.711   8.6292  128.435   27.989   97.587   19.601 30.84769 34.16976 
1 1 1   20    7   26 o  183.244   13.504   72.918   9.6615  121.268   22.248   61.681   10.726  209.766   22.695  156.721   14.644 53.04459 27.00891 
1 1 1   20    7   27 o   37.693   11.135   0.3527   3.7010 -10.7115   7.2621   4.2345   4.3015   31.764   15.440   43.621   16.049 -11.85681 22.26967 
1 1 1   20    7   28 o   68.213   15.892   13.354   5.9879   10.174   8.4621   16.543   8.4741   61.345   22.518   75.080   22.429 -13.73495 31.78302 
1 1 1   20    7   29 o   55.542   13.278   8.6519   4.2637   3.5238   7.9830   10.699   5.0433   48.587   20.507   62.498   16.873 -13.91080 26.55641 
1 1 1   20    7   30 o   94.177   14.762   25.801   5.8593   24.025   11.176   26.474   6.8807   86.762   25.722  101.593   14.492 -14.83157 29.52316 
1 1 1   20    7   31 o   75.550   15.129   13.676   5.4581   26.985   10.069   8.1382   6.4950   95.502   22.864   55.598   19.819 39.90414 30.25815 
1 1 1   20    7   32 o   47.549   12.489   4.0437   4.3716  -3.8933   6.7486   9.7820   5.7382   35.841   16.665   59.257   18.604 -23.41624 24.97725 
1 1 1   20    7   33 o   42.848   12.517   2.1316   4.1531   6.3504   6.4219  -0.9013   5.4449   50.387   19.374   35.309   15.855 15.07765 25.03459 
1 1 1   20    7   34 o   61.584   13.736   10.943   4.3782   13.681   6.8641   9.0647   5.6847   67.100   20.219   56.067   18.597 11.03355 27.47103 
1 1 1   20    7   35 o   46.172   12.755   4.8668   3.9087   6.7631   6.2671   3.6596   5.0004   50.363   19.193   41.982   16.804 8.381577 25.50928 
1 1 1   20    7   36 o   51.625   13.198   7.6566   4.8447  -6.0061   10.246   11.591   5.4982   40.680   19.400   62.570   17.899 -21.88924 26.39601 
1 1 1   20    7   37 o   55.566   14.018   9.8281   5.0964   0.0012   10.636   12.757   5.8064   46.012   21.229   65.121   18.313 -19.10964 28.03589 
1 1 1   20    7   38 o   59.320   14.418   10.399   4.7356   14.631   7.7795   7.9072   5.9689   66.551   21.741   52.090   18.944 14.46092 28.83614 
1 1 1   20    7   39 o   43.860   12.969   3.0929   4.2560   7.8572   7.3849   0.7237   5.2078   51.664   20.505   36.055   15.885 15.60961 25.93831 
1 1 1   20    7   40 o   52.556   14.893   7.2179   4.6969   14.070   10.295   5.4169   5.2782   60.342   24.126   44.771   17.467 15.57037 29.78505 
1 1 1   20    8    0 o   98.989   7.7823   24.033   4.9306   24.033   4.9306   24.033   4.9306   98.989   11.006   98.989   11.006 -0.000000 0.000000 
1 1 1   20    8    1 o  139.542   7.5075   46.782   4.8742   41.666   6.8719   51.962   6.9146  131.659   11.168  147.424   10.036 -15.76579 15.01496 
1 1 1   20    8    2 o   57.580   9.5462   8.4509   2.5461   10.139   3.5459   6.6545   3.6583   63.771   12.344   51.389   14.565 12.38190 19.09238 
1 1 1   20    8    3 o  135.582   8.1034   44.844   5.0426   40.381   7.6446   48.282   6.7091  129.086   12.672  142.077   10.104 -12.99126 16.20689 
1 1 1   20    8    4 o   88.579   9.2915   19.627   3.6690   23.180   5.0782   15.746   5.3069   98.212   11.064   78.945   14.931 19.26727 18.58307 
1 1 1   20    8    5 o  236.632   13.375  141.839   14.484  141.363   22.804  142.162   18.752  234.365   20.820  238.898   16.795 -4.532028 26.74960 
1 1 1   20    8    6 o  193.632   12.147   93.700   10.992   94.947   15.612   92.474   15.479  194.941   17.136  192.324   17.221 2.616730 24.29440 
1 1 1   20    8    7 o  157.090   10.219   61.406   7.2926   56.121   11.432   65.033   9.4698  150.310   16.274  163.871   12.365 -13.56070 20.43826 
1 1 1   20    8    8 o  216.658   9.8086  114.738   9.9246  120.713   14.166  108.979   13.908  222.360   13.632  210.956   14.107 11.40338 19.61727 
1 1 1   20    8    9 o  220.041   11.514  122.189   11.509  129.578   14.965  111.494   18.005  230.107   13.915  209.976   18.348 20.13043 23.02757 
1 1 1   20    8   10 o  178.942   12.848   80.889   10.742   79.136   15.000   82.735   15.392  176.979   18.135  180.906   18.205 -3.926956 25.69643 
1 1 1   20    8   11 o  196.051   11.902   97.229   10.662   90.108   16.497  102.336   13.972  188.253   18.750  203.850   14.666 -15.59682 23.80485 
1 1 1   20    8   12 o  104.824   14.197   26.043   6.1768   37.228   11.857   21.877   7.2363  117.612   22.389   92.035   17.462 25.57712 28.39386 
1 1 1   20    8   13 o  111.892   16.069   37.122   6.9975   26.740   14.251   40.420   8.0325   95.193   29.227  128.592   13.366 -33.39884 32.13805 
1 1 1   20    8   14 o  185.085   19.213  100.870   12.930   83.361   26.027  106.606   14.898  162.891   35.215  207.279   15.379 -44.38902 38.42689 
1 1 1   20    8   15 o  125.450   17.535   51.158   9.3548   24.559   16.472   63.820   11.366   90.454   31.625  160.445   15.157 -69.99151 35.06935 
1 1 1   20    8   16 f   74.970   15.869   13.940   5.6346   19.980   10.277   11.344   6.7375   84.377   24.569   65.563   20.090 18.81349 31.73762 
1 1 1   20    8   17 o  134.614   12.178   45.764   7.6588   46.663   11.010   44.920   10.661  135.823   17.345  133.406   17.099 2.417587 24.35627 
1 1 1   20    8   18 o  131.945   12.079   43.690   7.2817   56.823   10.791   32.712   9.8665  151.026   15.289  112.864   18.705 38.16194 24.15870 
1 1 1   20    8   19 o  147.571   16.727   60.041   10.532   60.997   13.029   58.239   17.889  154.241   18.074  140.900   28.152 13.34157 33.45418 
1 1 1   20    8   20 o  132.238   12.908   45.414   7.9142   50.669   11.096   39.971   11.291  141.014   16.837  123.462   19.569 17.55208 25.81532 
1 1 1   20    8   21 o   74.388   15.692   15.563   5.8994   17.132   8.2076   13.886   8.4853   78.214   21.694   70.561   22.678 7.652870 31.38328 
1 1 1   20    8   22 o   68.511   15.341   12.979   5.5126   13.546   7.6425   12.363   7.9592   69.917   21.393   67.106   21.993 2.810669 30.68158 
1 1 1   20    8   23 o  131.631   11.625   44.395   6.9560   42.703   11.027   45.513   8.9647  128.155   18.411  135.107   14.198 -6.951111 23.24967 
1 1 1   20    8   24 o  139.946   12.029   49.971   7.8467   55.127   11.506   45.488   10.729  146.841   16.766  133.051   17.254 13.79066 24.05812 
1 1 1   20    8   25 o   96.582   17.433   23.174   6.3558   35.306   15.577   20.751   6.9617  104.716   30.178   88.447   17.462 16.26939 34.86564 
1 1 1   20    8   26 o  120.779   16.023   35.522   6.9982   51.797   16.721   32.066   7.7055  128.930   28.507  112.628   14.639 16.30286 32.04606 
1 1 1   20    8   27 o   80.787   16.588   11.589   4.9332   36.471   14.079   8.1059   5.2671  106.466   27.943   55.108   17.883 51.35744 33.17555 
1 1 1   20    8   28 o   62.331   14.778   8.7205   4.4785   17.419   9.3546   6.1338   5.1011   75.349   23.768   49.313   17.566 26.03607 29.55505 
1 1 1   20    8   29 o   71.052   14.865   12.356   4.6717   20.971   9.7022   9.7564   5.3303   82.625   23.819   59.478   17.793 23.14691 29.73096 
1 1 1   20    8   30 o   55.470   14.709   7.8623   5.0408   5.4361   9.2847   8.8763   6.0025   53.754   22.362   57.185   19.115 -3.431824 29.41864 
1 1 1   20    8   31 o   53.132   14.194   7.0453   4.9155   4.1414   7.9188   8.8656   6.2697   49.348   20.601   56.917   19.533 -7.569324 28.38860 
1 1 1   20    8   32 o   37.102   11.893  -1.5153   4.4898  -7.7283   8.0932   1.2469   5.3963   35.549   17.031   38.655   16.605 -3.105915 23.78656 
1 1 1   20    8   33 o   46.314   13.480   4.3688   4.4098   3.5815   8.3965   4.6686   5.1820   47.841   20.633   44.788   17.353 3.052315 26.96018 
1 1 1   20    8   34 o   53.792   13.751   8.2068   4.1747   6.7547   8.6729   8.6447   4.7628   52.474   21.703   55.109   16.892 -2.635029 27.50231 
1 1 1   20    8   35 o   56.755   15.459   8.3270   4.6817   13.337   11.595   7.3510   5.1174   62.555   25.393   50.956   17.638 11.59817 30.91781 
1 1 1   20    8   36 o   53.732   14.871   8.4572   5.2047   4.1816   11.557   9.5449   5.8292   51.132   23.017   56.332   18.837 -5.200001 29.74275 
1 1 1   20    8   37 o   61.858   13.024   8.4213   4.6614   22.718   7.8730   0.7045   5.7842   85.886   19.989   37.831   16.701 48.05548 26.04774 
1 1 1   20    8   38 o   34.544   11.579  -3.2629   4.5869 -17.7993   11.122  -0.2839   5.0351   34.985   17.399   34.104   15.285 0.8808517 23.15882 
1 1 1   20    8   39 o   55.926   15.918   9.4249   5.9787   6.3390   7.1917   16.329   10.757   48.119   19.819   63.732   24.916 -15.61372 31.83691 
1 1 1   20    9    0 o  121.605   10.646   36.983   8.2038   36.983   8.2038   36.983   8.2038  121.605   15.055  121.605   15.055 -0.000000 0.000000 
1 1 1   20    9    1 o  192.247   12.642   93.051   11.351   89.130   16.018   97.007   16.088  187.896   18.241  196.598   17.509 -8.702209 25.28424 
1 1 1   20    9    2 o  145.212   10.492   52.086   7.0583   60.034   10.034   44.301   9.9306  156.764   13.696  133.660   15.898 23.10455 20.98341 
1 1 1   20    9    3 o  184.199   15.254   86.260   12.439   82.055   15.211   94.749   21.615  180.388   18.043  188.009   24.600 -7.620804 30.50702 
1 1 1   20    9    4 o  117.147   11.969   31.895   6.2790   26.233   7.6538   43.548   10.980  102.814   15.929  131.480   17.870 -28.66581 23.93859 
1 1 1   20    9    5 o   64.968   10.427   10.708   3.1026   8.9613   4.2689   12.664   4.5170   59.150   15.320   70.786   14.149 -11.63565 20.85409 
1 1 1   20    9    6 o   84.473   9.7184   18.496   3.5558   24.562   4.9203   11.865   5.1447  101.177   10.406   67.769   16.417 33.40811 19.43681 
1 1 1   20    9    7 o   94.322   9.5449   22.570   3.9682   26.673   5.3851   17.694   5.8699  105.276   10.945   83.367   15.640 21.90954 19.08972 
1 1 1   20    9    8 o  165.258   7.9166   67.086   5.9776   57.784   9.0321   74.336   7.9738  154.228   12.531  176.288   9.6782 -22.06009 15.83325 
1 1 1   20    9    9 o   99.141   9.6051   24.365   4.3828   27.589   6.0151   20.715   6.3992  106.700   12.062   91.583   14.951 15.11623 19.21026 
1 1 1   20    9   10 o   64.520   15.023   10.520   4.9145   10.400   5.7829   10.833   9.3247   63.148   18.442   65.892   23.720 -2.743141 30.04577 
1 1 1   20    9   11 f   91.817   11.894   21.644   4.9103   22.181   7.1476   21.164   6.7573   92.781   17.114   90.854   16.523 1.927216 23.78885 
1 1 1   20    9   12 o   76.181   13.404   15.834   4.8276   11.643   7.3800   18.969   6.3826   66.476   21.127   85.886   16.501 -19.40992 26.80702 
1 1 1   20    9   13 o   86.531   12.971   19.412   5.0199   21.065   7.8535   18.271   6.5274   89.166   19.398   83.896   17.225 5.269852 25.94155 
1 1 1   20    9   14 o   89.193   12.781   20.733   5.0597   21.064   7.9943   20.511   6.5351   88.942   19.747   89.443   16.232 -0.5007401 25.56178 
1 1 1   20    9   15 o  122.415   15.999   41.191   7.5396   38.591   15.289   42.026   8.6668  114.291   28.672  130.540   14.206 -16.24820 31.99797 
1 1 1   20    9   16 o  101.095   14.611   23.134   5.9319   38.258   12.344   18.593   6.7640  117.955   23.219   84.235   17.742 33.71952 29.22199 
1 1 1   20    9   17 o   82.635   15.825   16.243   5.5930   26.020   11.420   13.158   6.4151   95.155   25.258   70.116   19.072 25.03947 31.64979 
1 1 1   20    9   18 o  126.255   17.913   51.252   9.5175   30.733   16.971   60.666   11.495   97.389   32.125  155.122   15.856 -57.73267 35.82501 
1 1 1   20    9   19 o  169.232   16.251   75.010   12.002   89.581   21.746   68.628   14.392  176.521   26.360  161.943   19.016 14.57704 32.50299 
1 1 1   20    9   20 o  130.893   12.151   43.795   7.4030   49.524   10.894   38.880   10.091  139.093   16.758  122.693   17.598 16.39941 24.30102 
1 1 1   20    9   21 o   60.368   15.729   9.1394   5.7493   9.9776   7.0771   7.5126   9.8594   61.453   20.755   59.283   23.641 2.170677 31.45870 
1 1 1   20    9   22 o   92.264   16.245   22.671   6.8512   17.527   8.5801   31.720   11.381   78.883   22.288  105.646   23.640 -26.76369 32.49060 
1 1 1   20    9   23 o  177.938   13.236   82.852   10.993   86.368   15.465   79.262   15.629  182.321   18.150  173.554   19.269 8.767487 26.47127 
1 1 1   20    9   24 o  102.404   12.987   28.102   5.9651   25.692   9.0622   29.945   7.9237   96.300   20.748  108.508   15.625 -12.20830 25.97353 
1 1 1   20    9   25 o  109.302   17.331   40.653   8.0725   23.872   16.567   45.878   9.2441   84.086   31.388  134.517   14.704 -50.43094 34.66177 
1 1 1   20    9   26 o   57.065   14.329   9.1222   4.7218  -1.3717   12.165   10.984   5.1235   50.616   23.111   63.514   16.947 -12.89807 28.65820 
1 1 1   20    9   27 o   59.945   17.506   9.9078   5.2107   0.0000   0.0000   9.9078   5.2107  ?   ?    59.945   17.506      ?      ? 
1 1 1   20    9   28 o   93.220   16.711   27.029   7.0257   24.224   12.794   28.240   8.4067   85.074   27.884  101.365   18.425 -16.29062 33.42128 
1 1 1   20    9   29 o  109.937   14.740   34.988   7.2090   28.067   10.984   40.226   9.5550   95.942   24.431  123.932   16.497 -27.99051 29.47925 
1 1 1   20    9   30 o   44.966   13.496   2.6443   4.6743   2.3208   8.3722   2.7907   5.6341   47.409   20.525   42.524   17.531 4.884403 26.99290 
1 1 1   20    9   31 o   49.321   14.025   5.6356   4.7345  -2.1430   11.212   7.3237   5.2230   46.782   21.658   51.859   17.826 -5.076786 28.05089 
1 1 1   20    9   32 o   86.449   15.536   25.153   6.1109   18.823   12.721   27.052   6.9674   71.807   27.349  101.090   14.748 -29.28319 31.07196 
1 1 1   20    9   33 o   70.772   15.028   13.770   4.6844   20.561   9.9900   11.855   5.3036   77.424   24.577   64.120   17.299 13.30347 30.05507 
1 1 1   20    9   34 o   58.795   14.612   9.3724   6.3393  -5.1484   10.096   18.824   8.1453   41.130   19.512   76.460   21.756 -35.33045 29.22406 
1 1 1   20    9   35 o   59.454   15.289   8.5370   6.0503   20.741   9.6064   0.5134   7.7894   77.001   24.055   41.908   18.878 35.09351 30.57790 
1 1 1   20    9   36 o   58.728   16.645   11.065   6.7751   10.334   12.168   11.394   8.1565   58.062   24.938   59.395   22.053 -1.333332 33.29007 
1 1 1   20    9   37 o   40.545   12.910  -0.6457   5.3560   4.3563   7.5358  -5.7521   7.6140   46.251   19.739   34.838   16.645 11.41318 25.81970 
1 1 1   20    9   38 o   45.880   14.146   4.2139   5.7639   5.9744   7.4409   1.5725   9.1142   47.792   19.962   43.968   20.048 3.823467 28.29117 
1 1 1   20   10    0 o   72.859   12.418   14.730   5.1848   14.730   5.1848   14.730   5.1848   72.859   17.562   72.859   17.562 -0.000000 0.000000 
1 1 1   20   10    1 o  164.104   14.541   68.896   10.673   66.954   13.263   72.464   17.979  163.120   17.398  165.088   23.303 -1.967819 29.08124 
1 1 1   20   10    2 o  141.745   14.016   53.811   8.4240   58.615   10.595   45.556   13.890  154.199   14.702  129.290   23.867 24.90956 28.03142 
1 1 1   20   10    3 o   92.926   14.562   21.270   6.3240   21.270   6.3240   0.0000   0.0000   92.926   14.562  ?   ?       ?      ? 
1 1 1   20   10    4 o  147.886   9.8990   53.873   6.7405   54.999   8.8764   52.340   10.360  150.376   12.630  145.397   15.246 4.978653 19.79795 
1 1 1   20   10    5 o  117.768   8.6753   34.474   4.6420   38.854   6.1779   28.793   7.0349  127.191   10.393  108.344   13.893 18.84668 17.35061 
1 1 1   20   10    6 o   73.201   10.458   13.865   3.4860   17.392   4.7875   9.8839   5.0860   84.682   12.097   61.721   17.062 22.96085 20.91508 
1 1 1   20   10    7 o  166.873   10.753   71.387   8.0258   81.542   10.518   57.234   12.417  183.236   12.283  150.510   17.652 32.72589 21.50517 
1 1 1   20   10    8 o  109.161   12.899   28.524   5.3863   26.763   6.0867   34.881   11.566  104.918   12.413  113.404   22.616 -8.486496 25.79867 
1 1 1   20   10    9 o   67.981   14.355   12.465   4.4673   13.148   5.0060   9.7942   9.9001   71.582   15.419   64.381   24.218 7.201332 28.71021 
1 1 1   20   10   10 o   94.438   12.432   24.560   4.9767   28.277   6.2063   17.865   8.3293  107.839   12.314   81.036   21.600 26.80339 24.86412 
1 1 1   20   10   11 o  210.272   18.271  122.767   16.594  125.328   20.308  117.622   28.786  220.309   19.724  200.236   30.761 20.07384 36.54126 
1 1 1   20   10   12 o  124.709   16.109   42.840   8.4612   39.179   14.780   44.625   10.319  116.134   27.633  133.283   16.567 -17.14885 32.21858 
1 1 1   20   10   13 o   52.992   13.710   6.0016   4.6526   2.1877   6.7980   9.3623   6.3814   45.690   19.082   60.293   19.690 -14.60282 27.41901 
1 1 1   20   10   14 o   97.691   13.748   26.423   6.0990   15.535   8.9150   36.003   8.3623   75.011   23.131  120.371   14.865 -45.36020 27.49520 
1 1 1   20   10   15 o  144.684   12.391   53.417   8.3781   53.759   11.863   53.077   11.834  145.172   17.485  144.196   17.561 0.9759979 24.78100 
1 1 1   20   10   16 o   85.044   13.052   19.403   5.2518   11.528   7.3796   27.485   7.4756   65.447   21.161  104.641   15.286 -39.19441 26.10448 
1 1 1   20   10   17 o  116.672   12.216   34.952   6.6413   31.753   9.2870   38.300   9.5012  110.799   17.935  122.545   16.590 -11.74590 24.43106 
1 1 1   20   10   18 o  124.980   14.125   38.469   7.8587   52.156   13.958   32.117   9.5090  138.885   21.505  111.075   18.318 27.81047 28.24909 
1 1 1   20   10   19 o  143.518   17.946   61.084   10.649   51.962   18.568   65.555   12.999  127.522   31.372  159.513   17.437 -31.99047 35.89164 
1 1 1   20   10   20 o   72.612   15.844   15.201   5.9109   11.241   10.637   16.970   7.1097   66.204   25.058   79.020   19.396 -12.81654 31.68740 
1 1 1   20   10   21 o  142.842   14.859   52.344   9.3014   62.163   16.733   47.954   11.189  149.318   23.978  136.366   17.557 12.95207 29.71861 
1 1 1   20   10   22 o  109.191   17.319   31.226   7.6354   42.490   15.683   27.727   8.7414  116.929   28.871  101.453   19.138 15.47525 34.63824 
1 1 1   20   10   23 o  151.171   18.797   72.836   11.548   83.396   14.210   52.296   19.818  179.433   16.945  122.908   33.558 56.52451 37.59342 
1 1 1   20   10   24 o   49.053   14.215   3.3601   5.6068   7.8604   7.1308  -3.9280   9.0745   55.790   20.638   42.317   19.554 13.47305 28.43049 
1 1 1   20   10   25 o   46.229   14.365  -0.7594   6.4494  -9.1826   9.6958   5.9253   8.6374   39.008   18.676   53.449   21.832 -14.44067 28.73078 
1 1 1   20   10   26 o   86.686   26.157   24.317   11.483   0.0000   0.0000   24.317   11.483  ?   ?    86.686   26.157      ?      ? 
1 1 1   20   10   28 o   96.822   21.942   27.291   9.6991   27.291   9.6991   0.0000   0.0000   96.822   21.942  ?   ?       ?      ? 
1 1 1   20   10   29 o   74.210   27.075   18.309   12.206   18.309   12.206   0.0000   0.0000   74.210   27.075  ?   ?       ?      ? 
1 1 1   20   10   30 o   88.366   19.636   28.028   9.1660   23.360   12.813   32.919   13.117   80.047   27.898   96.686   27.642 -16.63937 39.27297 
1 1 1   20   10   31 o  109.663   18.890   46.555   11.676   20.361   17.576   67.248   15.622   71.330   30.285  147.997   22.586 -76.66717 37.77980 
1 1 1   20   10   32 o   56.383   15.645   9.2279   6.0803   7.1386   9.3407   10.764   8.0096   53.560   22.368   59.206   21.879 -5.645451 31.28915 
1 1 1   20   10   33 o   87.547   17.796   26.939   7.6713   26.533   10.877   27.342   10.821   86.641   25.290   88.454   25.044 -1.813019 35.59150 
1 1 1   20   10   34 o   90.343   14.942   23.447   5.8263   33.359   10.663   19.228   6.9567  100.756   23.133   79.929   18.917 20.82767 29.88306 
1 1 1   20   10   35 o  105.679   17.826   43.305   8.7963   31.866   16.791   47.631   10.327   81.493   31.329  129.865   17.015 -48.37237 35.65133 
1 1 1   20   10   36 o   78.544   16.811   22.381   7.6859   10.535   10.980   33.763   10.762   57.197   24.091   99.892   23.454 -42.69457 33.62280 
1 1 1   20   10   37 o   89.052   15.525   26.151   6.1819   29.684   10.606   24.334   7.6077   89.594   24.586   88.509   18.963 1.085083 31.04923 
1 1 1   20   11    0 o   89.109   8.9095   19.984   4.9449   19.984   4.9449   19.984   4.9449   89.109   12.600   89.109   12.600 -0.000000 0.000000 
1 1 1   20   11    1 o  131.095   8.5243   41.694   5.2199   43.583   7.4479   39.869   7.3178  134.081   11.886  128.109   12.222 5.972885 17.04865 
1 1 1   20   11    2 o  181.356   12.300   83.076   10.413   87.386   14.728   78.769   14.725  186.438   16.903  176.275   17.874 10.16258 24.60049 
1 1 1   20   11    3 o  128.713   10.893   41.176   6.5460   40.706   9.4353   41.612   9.0894  127.809   15.796  129.618   15.005 -1.809364 21.78670 
1 1 1   20   11    4 o   93.317   10.389   22.707   4.0669   19.058   6.8938   24.655   5.0367   85.438   17.841  101.197   10.650 -15.75832 20.77765 
1 1 1   20   11    5 o   93.320   11.493   22.322   4.7488   14.382   6.5344   31.209   6.9133   73.643   18.893  112.997   13.091 -39.35361 22.98542 
1 1 1   20   11    6 o   62.762   10.992   9.4278   3.0830   13.002   5.3688   7.6695   3.7659   70.751   16.534   54.773   14.488 15.97723 21.98385 
1 1 1   20   11    7 f  108.168   14.322   31.886   6.5915   34.234   8.1263   27.370   11.270  117.602   14.785   98.735   24.533 18.86655 28.64402 
1 1 1   20   11    8 o  148.750   15.138   59.984   9.4358   63.215   11.631   53.764   16.140  159.239   15.628  138.261   25.930 20.97849 30.27553 
1 1 1   20   11    9 o  145.270   16.045   56.757   9.9686   56.918   12.299   56.448   17.019  149.786   17.570  140.754   26.852 9.032394 32.08928 
1 1 1   20   11   10 f  130.360   16.725   47.146   9.0524   48.435   10.901   44.283   16.247  138.527   16.838  122.192   28.903 16.33524 33.45053 
1 1 1   20   11   11 o   96.308   18.896   27.155   8.8104   28.105   12.094   26.082   12.861   98.668   25.899   93.948   27.522 4.719200 37.79176 
1 1 1   20   11   12 o  131.130   18.663   49.978   11.326   73.478   16.416   28.633   15.646  166.554   21.090   95.706   30.798 70.84805 37.32676 
1 1 1   20   11   13 o   61.477   15.146   10.010   5.4644   12.354   6.4837   4.2607   10.152   67.692   19.459   55.262   23.215 12.43028 30.29151 
1 1 1   20   11   14 o   67.808   16.314   11.869   5.6185   11.198   6.4794   13.903   11.280   64.478   19.692   71.138   26.016 -6.659447 32.62857 
1 1 1   20   11   15 o   72.889   16.308   14.098   5.7388   12.907   6.7231   17.296   11.016   68.754   19.829   77.025   25.896 -8.270142 32.61566 
1 1 1   20   11   16 o   58.802   15.447   8.5364   5.4014   9.4942   6.2760   5.8008   10.607   59.917   19.525   57.687   23.942 2.229919 30.89383 
1 1 1   20   11   17 o  102.077   15.813   24.282   6.6967   17.978   7.7293   43.261   13.411   80.768   20.455  123.386   24.122 -42.61785 31.62691 
1 1 1   20   11   18 o  145.020   16.456   57.199   10.021   55.398   12.075   61.185   17.961  146.600   17.624  143.439   27.796 3.160767 32.91272 
1 1 1   20   11   19 o  123.488   14.967   38.669   7.8099   34.394   9.2695   49.131   14.500  115.737   17.137  131.240   24.542 -15.50243 29.93339 
1 1 1   20   11   20 o   88.214   16.912   21.630   6.7577   19.815   8.1268   25.697   12.166   84.455   20.741   91.973   26.717 -7.517967 33.82305 
1 1 1   20   11   21 o   96.648   19.418   28.971   9.2499   24.534   12.749   33.903   13.441   88.405   27.727  104.891   27.194 -16.48547 38.83647 
1 1 1   20   11   22 o  115.002   19.321   41.601   10.511   29.532   14.620   54.512   15.122   93.965   29.722  136.039   24.694 -42.07382 38.64157 
1 1 1   20   11   23 o   98.941   27.248   31.654   13.000   0.0000   0.0000   31.654   13.000  ?   ?    98.941   27.248      ?      ? 
1 1 1   20   11   24 o   98.086   27.596   31.834   13.182   0.0000   0.0000   31.834   13.182  ?   ?    98.086   27.596      ?      ? 
1 1 1   20   11   26 o   49.687   22.360  -0.0004   10.898  -0.0004   10.898   0.0000   0.0000   49.687   22.360  ?   ?       ?      ? 
1 1 1   20   11   27 o   56.154   19.817   8.4734   6.4776   0.0000   0.0000   8.4734   6.4776  ?   ?    56.154   19.817      ?      ? 
1 1 1   20   11   28 o   54.181   14.035   8.1663   4.9736  -2.4822   10.961   10.927   5.5813   46.334   21.438   62.028   18.119 -15.69363 28.06940 
1 1 1   20   11   29 o   55.972   15.493   6.9521   4.8738   13.951   11.051   5.2618   5.4305   65.344   25.334   46.599   17.840 18.74535 30.98515 
1 1 1   20   11   30 o   56.659   14.619   8.8901   4.7883   11.614   8.3910   7.5748   5.8310   61.144   22.427   52.173   18.760 8.970684 29.23843 
1 1 1   20   11   31 o   68.918   14.936   14.249   5.0817   18.249   8.6207   12.118   6.2909   74.576   22.701   63.260   19.418 11.31571 29.87261 
1 1 1   20   11   32 o   61.540   17.156   8.4122   5.0736   23.929   14.839   6.3580   5.3990   74.670   29.243   48.410   17.948 26.26010 34.31213 
1 1 1   20   11   33 o   57.373   15.117   9.8180   4.9097   10.564   10.696   9.6189   5.5263   58.029   24.059   56.718   18.309 1.311554 30.23353 
1 1 1   20   11   34 o   38.448   12.647  -3.5926   4.8552   3.6397   9.1141  -6.4581   5.7370   47.682   21.011   29.214   14.084 18.46754 25.29495 
1 1 1   20   11   35 o  106.841   17.825   40.309   8.1283   42.561   16.067   39.534   9.4232   96.446   31.227  117.235   17.199 -20.78922 35.65027 
1 1 1   20   11   36 o   58.165   16.216   12.060   6.4414   13.064   9.8756   11.317   8.4978   59.291   23.655   57.038   22.187 2.252815 32.43219 
1 1 1   20   12    0 o  102.397   8.1840   25.856   5.3564   25.856   5.3564   25.856   5.3564  102.397   11.574  102.397   11.574 -0.000000 0.000000 
1 1 1   20   12    1 o  118.524   8.9269   33.520   4.8355   30.815   6.1298   37.977   7.8680  112.717   11.636  124.330   13.541 -11.61314 17.85370 
1 1 1   20   12    2 o  213.222   13.090  116.935   12.708  118.999   16.389  113.824   20.125  217.876   16.095  208.567   20.647 9.308533 26.17929 
1 1 1   20   12    3 o  161.077   8.9999   63.408   6.7742   62.692   9.6160   64.114   9.5447  160.105   12.851  162.048   12.603 -1.942764 17.99975 
1 1 1   20   12    4 o  129.305   8.4594   40.764   5.0833   45.781   7.2152   35.820   7.1629  137.528   11.226  121.082   12.658 16.44544 16.91871 
1 1 1   20   12    5 o  118.820   8.7479   34.591   4.8293   30.820   6.8871   38.240   6.7736  112.096   13.146  125.544   11.545 -13.44783 17.49579 
1 1 1   20   12    6 o  164.722   10.882   66.906   8.2285   63.272   10.575   72.482   13.101  159.952   14.146  169.493   16.539 -9.541412 21.76316 
1 1 1   20   12    7 o  156.095   16.410   73.024   9.1916   79.995   10.643   52.568   18.231  180.797   12.596  131.394   30.308 49.40337 32.82095 
1 1 1   20   12    8 o  215.087   16.904  123.202   14.596  119.665   16.832  133.924   29.309  217.359   16.570  212.815   29.468 4.544083 33.80733 
1 1 1   20   12    9 o  122.275   10.578   36.910   5.9351   34.877   7.6199   40.046   9.4636  118.685   13.738  125.866   16.088 -7.181473 21.15542 
1 1 1   20   12   10 f   83.821   11.842   19.174   4.3401   21.750   5.4685   14.792   7.1338   94.137   12.430   73.505   20.161 20.63145 23.68447 
1 1 1   20   12   11 o  103.934   16.072   31.588   7.2706   25.645   12.920   34.342   8.7955   91.612   27.769  116.256   16.188 -24.64387 32.14311 
1 1 1   20   12   12 f   89.569   16.633   20.864   6.6271   30.251   12.161   16.899   7.9036  101.256   25.665   77.883   21.163 23.37371 33.26515 
1 1 1   20   12   13 o   78.203   15.508   17.600   5.8966   19.290   7.4156   14.693   9.7240   84.337   19.240   72.069   24.329 12.26789 31.01682 
1 1 1   20   12   14 o   93.552   12.894   23.107   5.5010   18.188   7.6499   28.373   7.9159   81.373   20.208  105.731   16.020 -24.35892 25.78734 
1 1 1   20   12   15 o   92.080   13.134   22.643   5.4565   22.472   7.6622   22.819   7.7724   91.760   18.506   92.401   18.642 -0.6415482 26.26737 
1 1 1   20   12   16 o  169.191   12.888   74.289   10.187   71.495   14.304   77.163   14.510  165.740   18.467  172.641   17.984 -6.900253 25.77659 
1 1 1   20   12   17 o  116.929   12.973   36.179   6.7767   44.128   9.6509   28.448   9.5179  132.001   15.644  101.857   20.700 30.14400 25.94663 
1 1 1   20   12   18 o  132.544   12.600   45.725   7.7860   49.685   11.126   41.925   10.899  138.652   17.171  126.435   18.445 12.21690 25.20025 
1 1 1   20   12   19 o   69.382   14.372   13.457   5.1378   9.3484   7.3888   17.303   7.1489   59.618   21.151   79.146   19.463 -19.52770 28.74326 
1 1 1   20   12   20 o   48.335   12.251   2.8770   4.4567  -6.9102   6.5330   11.397   6.0953   32.470   15.487   64.201   18.987 -31.73110 24.50158 
1 1 1   20   12   21 o   54.952   15.246   6.5342   5.3802   9.9974   9.5868   4.9420   6.5003   61.244   23.638   48.661   19.262 12.58274 30.49170 
1 1 1   20   12   22 o   39.831   12.738  -0.4440   4.3925  -2.8850   9.4009   0.2377   4.9681   43.576   20.052   36.087   15.717 7.489197 25.47699 
1 1 1   20   12   23 o  103.340   18.468   34.235   8.8890   31.892   13.936   35.841   11.542   96.935   28.719  109.744   23.228 -12.80927 36.93645 
1 1 1   20   12   24 o   92.159   26.874   27.375   12.288   27.375   12.288   0.0000   0.0000   92.159   26.874  ?   ?       ?      ? 
1 1 1   20   12   25 o   49.564   19.238   5.5044   6.3783   0.0000   0.0000   5.5044   6.3783  ?   ?    49.564   19.238      ?      ? 
1 1 1   20   12   26 o  126.594   29.551   55.030   17.165   0.0000   0.0000   55.030   17.165  ?   ?   126.594   29.551      ?      ? 
1 1 1   20   12   27 o  101.835   28.246   36.859   13.914   0.0000   0.0000   36.859   13.914  ?   ?   101.835   28.246      ?      ? 
1 1 1   20   12   28 o   44.414   14.186  -0.2383   6.4504  -7.7426   10.989   3.7071   7.9676   41.492   19.870   47.337   20.251 -5.844460 28.37150 
1 1 1   20   12   29 o   36.986   12.526  -3.5349   4.5807  -5.3849   11.257  -3.1678   5.0147   43.404   20.595   30.569   14.265 12.83498 25.05250 
1 1 1   20   12   30 o   86.155   14.366   23.765   5.7939   18.276   9.5225   26.991   7.3008   72.782   24.066   99.527   15.696 -26.74516 28.73240 
1 1 1   20   12   31 o   50.939   14.758   3.7453   4.7712   14.925   10.329   0.7127   5.3796   64.963   24.667   36.915   16.208 28.04811 29.51563 
1 1 1   20   12   32 o   44.859   13.642   3.3790   5.1551   2.8431   7.7094   3.8123   6.9331   44.734   19.528   44.984   19.056 -0.2497101 27.28474 
1 1 1   20   12   33 o   52.136   14.499   6.9126   5.3215   12.108   8.0414   2.8646   7.0979   60.649   21.999   43.622   18.892 17.02674 28.99736 
1 1 1   20   12   34 o   77.522   14.875   20.414   5.5423   17.765   9.3438   21.851   6.8840   69.453   23.844   85.591   17.790 -16.13815 29.74973 
1 1 1   20   12   35 o   51.131   14.160   7.8490   4.6506   8.6438   8.7088   7.5319   5.5006   52.398   21.716   49.865   18.178 2.533485 28.31994 
1 1 1   20   13    0 o  152.779   8.7360   56.916   8.6886   56.916   8.6886   56.916   8.6886  152.779   12.355  152.779   12.355 -0.000000 0.000000 
1 1 1   20   13    1 o  107.149   10.273   28.534   5.1137   24.567   7.0045   33.061   7.4827   98.909   15.153  115.390   13.876 -16.48106 20.54623 
1 1 1   20   13    2 o  111.994   8.8002   29.202   4.4843   23.549   5.6298   39.015   7.4170   97.998   12.292  125.990   12.596 -27.99215 17.60033 
1 1 1   20   13    3 o   91.879   8.2914   20.714   3.5378   22.984   4.9617   18.366   5.0458   97.291   10.912   86.467   12.486 10.82402 16.58287 
1 1 1   20   13    4 o  117.346   8.3622   33.739   4.5733   36.144   6.4252   31.270   6.5109  121.826   11.285  112.868   12.343 8.957962 16.72449 
1 1 1   20   13    5 o   57.908   11.591   9.1680   3.4009   11.310   4.3072   5.6222   5.5421   66.222   14.333   49.594   18.221 16.62772 23.18259 
1 1 1   20   13    6 o   50.392   11.758   6.4439   3.2116   7.1880   4.0736   5.2218   5.2206   52.708   15.503   48.076   17.681 4.631577 23.51540 
1 1 1   20   13    7 o   77.744   10.615   13.850   3.6848   8.3520   4.5487   24.346   6.2846   56.466   16.318   99.022   13.580 -42.55615 21.22949 
1 1 1   20   13    8 o   63.676   11.646   10.224   3.4226   8.4245   4.3187   13.263   5.6121   56.748   15.735   70.604   17.173 -13.85609 23.29202 
1 1 1   20   13    9 o   96.585   10.363   22.805   4.5583   20.922   5.7418   26.012   7.4962   91.880   13.372  101.290   15.836 -9.409966 20.72607 
1 1 1   20   13   10 o   63.499   12.167   10.848   3.6772   11.620   4.7079   9.6392   5.8888   66.730   15.408   60.269   18.835 6.461273 24.33404 
1 1 1   20   13   11 o   72.651   16.785   13.990   6.9386   21.805   10.223   7.3164   9.4480   86.788   24.261   58.514   23.203 28.27434 33.57049 
1 1 1   20   13   12 o   60.110   15.829   7.1444   5.4000   14.332   10.561   4.5998   6.2835   71.609   25.299   48.611   19.032 22.99823 31.65869 
1 1 1   20   13   13 o  100.657   12.541   26.448   5.7762   25.249   8.1079   27.685   8.2312   97.358   18.496  103.956   16.942 -6.598198 25.08242 
1 1 1   20   13   14 o  115.046   15.866   38.958   7.8283   44.205   9.7527   29.452   13.126  131.978   15.812   98.115   27.513 33.86306 31.73297 
1 1 1   20   13   15 o   72.392   14.391   14.533   5.0565   14.655   7.5401   14.433   6.8164   72.384   21.036   72.400   19.645 -0.1647186E-01 28.78228 
1 1 1   20   13   16 o   81.679   14.028   18.845   5.4143   13.727   7.8889   23.401   7.4443   69.705   21.803   93.652   17.656 -23.94749 28.05502 
1 1 1   20   13   17 o   44.074   12.772   2.3540   4.4122  -1.6304   6.5771   5.6143   5.9497   38.499   17.344   49.649   18.753 -11.14955 25.54373 
1 1 1   20   13   18 o   60.646   15.304   6.4378   5.2003   19.159   10.236   2.0117   6.0377   78.918   24.859   42.374   17.857 36.54431 30.60802 
1 1 1   20   13   19 o   58.728   15.564   8.1671   5.5162   13.450   9.6284   5.5859   6.7301   67.286   24.116   50.170   19.681 17.11563 31.12745 
1 1 1   20   13   20 o   80.206   15.425   21.278   6.5736   9.2372   11.598   26.977   7.9790   61.087   25.165   99.324   17.845 -38.23770 30.84996 
1 1 1   20   13   21 o  114.785   19.212   42.803   10.179   37.621   15.286   46.932   13.645  104.542   29.824  125.028   24.226 -20.48531 38.42365 
1 1 1   20   13   22 o   82.268   15.523   20.022   6.1160   21.952   8.3444   17.780   8.9904   87.575   20.713   76.961   23.128 10.61304 31.04696 
1 1 1   20   13   23 o   52.378   14.460   6.2922   5.3872  -4.2218   11.257   9.4152   6.1353   46.283   21.522   58.472   19.317 -12.18912 28.91954 
1 1 1   20   13   24 o   74.731   16.085   17.191   6.1319   16.239   9.1014   17.982   8.2978   72.287   23.510   77.176   21.958 -4.888504 32.16972 
1 1 1   20   13   25 o   62.037   17.194   10.166   5.7063   13.854   15.866   9.6186   6.1155   66.244   28.465   57.831   19.294 8.412495 34.38813 
1 1 1   20   13   26 o   52.983   15.889   0.1550   4.4625   21.659   13.706  -2.3950   4.7197   75.316   28.459   30.650   14.141 44.66566 31.77891 
1 1 1   20   13   27 o   75.892   18.842   21.381   8.4235   18.423   13.552   23.244   10.753   70.157   27.799   81.628   25.442 -11.47150 37.68345 
1 1 1   20   13   28 o   48.550   14.270   4.8218   5.5538   8.0591   7.3612   0.5439   8.4620   53.510   20.696   43.591   19.652 9.918720 28.53992 
1 1 1   20   13   29 o   44.905   19.880   2.1872   8.2537   0.0000   0.0000   2.1872   8.2537  ?   ?    44.905   19.880      ?      ? 
1 1 1   20   13   30 o   46.120   13.455   4.3195   5.1351  -9.5247   11.256   7.9584   5.7706   39.947   19.372   52.293   18.677 -12.34600 26.90928 
1 1 1   20   13   31 o   67.965   16.370   16.721   7.4906   3.0452   12.672   24.066   9.2867   51.042   23.411   84.888   22.887 -33.84592 32.73939 
1 1 1   20   13   32 o   74.312   17.063   17.537   5.9370   26.254   12.750   15.124   6.7088   79.438   27.820   69.185   19.765 10.25242 34.12616 
1 1 1   20   13   33 o   58.910   16.108   8.8489   5.1999   21.920   11.843   5.7272   5.7876   71.710   26.584   46.109   18.199 25.60058 32.21663 
1 1 1   20   13   34 o   38.981   12.704  -0.4911   4.4210   3.9081   9.3583  -1.7550   5.0161   46.460   20.829   31.502   14.550 14.95751 25.40759 
1 1 1   20   14    0 o   39.907   12.285   5.5290   3.3598   5.5290   3.3598   5.5290   3.3598   39.907   17.374   39.907   17.374 -0.000000 0.000000 
1 1 1   20   14    1 o  148.273   10.858   57.382   7.1173   63.729   9.1066   47.421   11.409  161.258   12.084  135.288   18.044 25.97006 21.71643 
1 1 1   20   14    2 o  138.926   8.2183   47.109   5.3346   46.015   7.4456   48.263   7.6469  137.279   11.605  140.573   11.640 -3.294434 16.43658 
1 1 1   20   14    3 o  156.359   8.6931   60.021   6.3268   53.435   8.8461   66.917   9.0523  147.223   12.857  165.494   11.704 -18.27029 17.38626 
1 1 1   20   14    4 o   53.399   10.208   7.3648   2.6073   7.2733   3.6291   7.4624   3.7484   53.082   14.305   53.716   14.565 -0.6333237 20.41505 
1 1 1   20   14    5 o  120.747   9.2826   33.572   5.0411   27.252   6.1873   46.051   8.6944  105.264   12.577  136.230   13.656 -30.96529 18.56529 
1 1 1   20   14    6 o  137.117   14.905   49.886   7.7398   49.217   8.8439   52.073   15.997  140.972   13.424  133.262   26.617 7.709625 29.81054 
1 1 1   20   14    7 o  194.484   11.791   94.684   10.530   86.877   13.484  106.883   16.856  185.484   15.555  203.484   17.725 -17.99937 23.58253 
1 1 1   20   14    8 o  200.229   11.886  100.287   10.948   90.200   14.058  115.837   17.454  188.584   15.950  211.874   17.627 -23.29027 23.77229 
1 1 1   20   14    9 o  118.184   9.8774   34.039   5.3528   31.045   6.8280   38.812   8.6222  112.067   13.037  124.301   14.842 -12.23338 19.75473 
1 1 1   20   14   10 o  144.122   11.588   53.071   7.8031   54.516   11.075   51.647   10.996  146.204   16.208  142.041   16.565 4.162720 23.17517 
1 1 1   20   14   11 o   89.680   15.002   19.898   5.6805   29.947   11.004   16.248   6.6324  101.986   23.562   77.375   18.576 24.61142 30.00404 
1 1 1   20   14   12 o  122.484   16.669   44.317   8.5268   37.943   15.119   47.290   10.326  109.233   29.095  135.734   16.277 -26.50050 33.33873 
1 1 1   20   14   13 o   85.406   16.411   21.385   6.4957   21.648   7.8820   20.830   11.468   88.598   19.559   82.214   26.358 6.384163 32.82204 
1 1 1   20   14   14 o  117.782   12.855   36.964   6.8198   44.606   9.9321   30.146   9.3807  131.271   16.189  104.293   19.973 26.97843 25.71037 
1 1 1   20   14   15 o   75.435   16.351   17.570   6.3767   13.454   11.225   19.531   7.7484   67.918   25.733   82.952   20.180 -15.03397 32.70162 
1 1 1   20   14   16 o   87.874   17.017   24.896   8.1449   11.332   12.208   35.779   10.935   64.585   26.112  111.162   21.826 -46.57685 34.03315 
1 1 1   20   14   17 o   52.870   14.800   6.4824   5.4190   1.9990   10.045   8.3229   6.4359   50.042   22.054   55.697   19.742 -5.654987 29.59984 
1 1 1   20   14   18 o   66.832   17.044   13.382   6.9397   9.9713   11.123   15.556   8.8798   61.909   24.962   71.755   23.213 -9.846027 34.08771 
1 1 1   20   14   19 o  123.418   17.083   48.666   9.0269   56.619   11.256   34.332   15.111  147.096   16.373   99.739   29.987 47.35668 34.16563 
1 1 1   20   14   20 o  142.416   21.207   67.149   13.644   64.705   19.936   69.303   18.714  137.223   31.720  147.609   28.155 -10.38567 42.41316 
1 1 1   20   14   21 o  116.667   19.003   43.136   10.088   46.376   15.279   40.633   13.432  119.370   27.891  113.964   25.817 5.405624 38.00510 
1 1 1   20   14   22 o  123.935   17.851   55.604   9.5667   31.849   17.130   66.370   11.533   89.111   32.141  158.758   15.544 -69.64768 35.70197 
1 1 1   20   14   23 o   46.411   13.340   4.5208   4.3702   2.3777   8.1698   5.3798   5.1724   46.144   20.124   46.678   17.516 -0.5346451 26.67908 
1 1 1   20   14   24 o   61.081   14.026   11.512   4.6681   8.1207   8.3476   13.055   5.6308   54.827   21.788   67.334   17.671 -12.50690 28.05298 
1 1 1   20   14   25 o   56.595   16.018   8.3128   5.1061   9.3077   14.412   8.1700   5.4603   59.635   26.342   53.554   18.230 6.080799 32.03517 
1 1 1   20   14   26 o   89.961   17.373   28.393   7.1395   26.622   16.086   28.827   7.9672   77.893   30.464  102.029   16.708 -24.13602 34.74503 
1 1 1   20   14   27 o   46.407   14.268   3.2956   5.3615   5.1820   9.7808   2.4852   6.4104   50.686   22.064   42.128   18.098 8.557446 28.53666 
1 1 1   20   14   28 o   48.590   14.139   0.8250   4.7141   15.459   9.7964  -3.5846   5.3776   66.169   24.238   31.011   14.567 35.15821 28.27874 
1 1 1   20   14   29 o   50.593   13.746   4.5574   5.6348   13.883   7.5316  -7.2981   8.4921   65.279   21.394   35.907   17.267 29.37146 27.49297 
1 1 1   20   14   30 o   46.844   13.973   4.4495   5.2618   7.0150   7.7519   2.2576   7.1653   50.914   20.727   42.774   18.745 8.139561 27.94606 
1 1 1   20   14   31 o   46.642   14.225   4.4997   5.7103   6.4015   7.7755   2.2731   8.4132   49.141   20.455   44.144   19.773 4.997490 28.44975 
1 1 1   20   14   32 o   45.959   13.275   3.8686   4.4073   10.798   7.6449   0.4191   5.3939   56.282   21.258   35.635   15.906 20.64680 26.54973 
1 1 1   20   15    0 o   73.597   10.238   14.405   4.4307   14.405   4.4307   14.405   4.4307   73.597   14.479   73.597   14.479 -0.000000 0.000000 
1 1 1   20   15    1 o   94.429   10.870   24.114   4.2717   26.839   5.3007   19.065   7.2147  105.014   10.801   83.844   18.868 21.17028 21.74062 
1 1 1   20   15    2 o  138.700   9.3325   46.963   5.9323   43.893   7.5816   51.811   9.5269  133.574   12.145  143.825   14.173 -10.25027 18.66504 
1 1 1   20   15    3 o  113.495   10.269   34.870   4.8460   41.910   6.2519   24.275   7.6699  131.492   10.174   95.499   17.841 35.99288 20.53784 
1 1 1   20   15    4 o   88.512   8.3283   19.328   3.3869   23.654   4.8546   15.226   4.7275   98.642   10.531   78.382   12.905 20.25973 16.65654 
1 1 1   20   15    5 o  113.240   11.265   34.661   5.3785   39.488   6.8549   26.929   8.6755  126.913   11.557   99.568   19.341 27.34464 22.53078 
1 1 1   20   15    6 o  110.425   9.7925   30.123   4.8971   28.862   6.1586   32.292   8.0757  108.164   12.183  112.687   15.334 -4.523331 19.58495 
1 1 1   20   15    7 o  146.008   11.202   55.433   7.3412   58.319   9.3763   50.861   11.801  153.016   13.111  138.999   18.166 14.01704 22.40338 
1 1 1   20   15    8 o   61.193   11.062   8.6775   3.4059   3.6992   4.3204   16.851   5.5359   42.131   15.964   80.254   15.319 -38.12265 22.12495 
1 1 1   20   15    9 o   30.590   9.9496  -2.3535   3.1175  -2.1766   3.8575  -2.6866   5.2933   28.195   12.926   32.984   15.129 -4.789679 19.89912 
1 1 1   20   15   10 o   50.337   12.683   6.1890   3.9771   2.4986   6.1829   8.7936   5.1942   43.611   18.204   57.062   17.666 -13.45094 25.36689 
1 1 1   20   15   11 o  103.963   16.303   34.647   7.4955   24.112   13.427   39.416   9.0343   84.634   28.588  123.292   15.679 -38.65808 32.60528 
1 1 1   20   15   12 o  147.371   17.054   57.562   11.746   0.0000   0.0000   57.562   11.746  ?   ?   147.371   17.054      ?      ? 
1 1 1   20   15   13 o  107.475   15.886   34.307   7.2996   32.241   13.043   35.249   8.8083   99.141   27.288  115.808   16.275 -16.66678 31.77286 
1 1 1   20   15   14 o   67.598   14.182   14.320   5.8591  -0.3099   10.673   20.631   7.0099   48.641   21.986   86.555   17.919 -37.91381 28.36372 
1 1 1   20   15   15 o   53.806   15.457   5.4949   6.3669   0.3200   9.3204   10.023   8.7180   46.958   20.938   60.654   22.744 -13.69567 30.91445 
1 1 1   20   15   16 o  152.342   17.146   68.098   11.221   67.566   13.935   69.079   18.924  157.986   18.873  146.698   28.630 11.28737 34.29125 
1 1 1   20   15   17 o  139.732   15.117   52.172   9.5209   44.865   11.736   66.242   16.284  128.019   19.615  151.445   23.007 -23.42638 30.23412 
1 1 1   20   15   18 f   99.344   18.744   31.896   8.8950   29.547   13.135   33.886   12.089   94.085   27.883  104.602   25.058 -10.51709 37.48856 
1 1 1   20   15   19 o   44.552   13.803   0.9493   5.0686   4.3607   9.1958  -0.5394   6.0747   51.199   21.826   37.906   16.903 13.29258 27.60588 
1 1 1   20   15   20 o   76.086   14.530   17.396   5.2950   16.446   7.7646   18.223   7.2394   73.399   21.351   78.773   19.712 -5.373962 29.05908 
1 1 1   20   15   21 o   72.590   13.491   14.732   4.7123   21.777   7.4454   10.024   6.0866   86.616   18.922   58.564   19.235 28.05223 26.98192 
1 1 1   20   15   22 o   59.733   14.772   10.358   4.8623   12.444   8.4797   9.3363   5.9349   62.831   22.619   56.636   19.007 6.194889 29.54496 
1 1 1   20   15   23 o   43.223   13.861  -3.5149   6.0199  -9.8496   7.5831   7.2810   9.8995   32.181   15.673   54.264   22.867 -22.08229 27.72219 
1 1 1   20   15   24 o   40.299   12.926  -3.2881   5.8090   4.6055   7.7337 -13.5075   8.7996   47.795   20.179   32.804   16.161 14.99015 25.85297 
1 1 1   20   15   25 o   56.960   18.591   9.6998   5.6894   0.0000   0.0000   9.6998   5.6894  ?   ?    56.960   18.591      ?      ? 
1 1 1   20   15   26 o   91.339   17.696   29.706   7.2598   30.607   16.690   29.496   8.0624   80.240   31.127  102.437   16.841 -22.19717 35.39108 
1 1 1   20   15   27 o  100.356   15.111   32.686   6.8767   26.520   10.804   36.886   8.9161   85.964   25.237  114.749   16.626 -28.78497 30.22114 
1 1 1   20   15   28 o   68.122   15.364   15.487   5.4725   15.032   9.0265   15.752   6.8815   65.559   23.365   70.686   19.956 -5.127289 30.72771 
1 1 1   20   15   29 o   73.374   16.385   19.399   6.5691   24.613   9.2234   14.031   9.3584   84.500   22.820   62.249   23.517 22.25103 32.76924 
1 1 1   20   15   30 o   34.489   11.709  -5.8284   5.4728  -5.8613   7.6838  -5.7946   7.7969   34.335   16.488   34.644   16.629 -0.3085213 23.41775 
1 1 1   20   16    0 o   85.157   9.4867   18.743   4.9432   18.743   4.9432   18.743   4.9432   85.157   13.416   85.157   13.416 -0.000000 0.000000 
1 1 1   20   16    1 o  119.974   9.7792   36.639   5.2582   37.051   6.6135   35.933   8.6696  122.312   11.570  117.637   15.769 4.674271 19.55831 
1 1 1   20   16    2 o  152.446   8.8499   58.172   6.2718   51.114   8.7771   65.536   8.9653  142.438   13.185  162.455   11.808 -20.01717 17.69986 
1 1 1   20   16    3 f  197.496   10.725  100.640   9.8974   98.528   13.973  102.766   14.021  195.236   15.314  199.757   15.019 -4.521072 21.44975 
1 1 1   20   16    4 o  167.337   8.6824   70.018   6.7797   66.111   9.6156   73.880   9.5605  162.337   12.674  172.337   11.870 -9.999496 17.36472 
1 1 1   20   16    5 o  131.244   10.277   43.070   6.1157   39.750   7.6580   48.916   10.161  125.572   13.049  136.915   15.880 -11.34316 20.55391 
1 1 1   20   16    6 o   84.859   10.647   18.363   3.9666   17.152   4.9243   20.601   6.6938   82.587   12.758   87.132   17.049 -4.545174 21.29402 
1 1 1   20   16    7 o  106.350   10.262   29.102   4.8961   29.293   6.1615   28.776   8.0645  108.243   12.180  104.457   16.520 3.785583 20.52431 
1 1 1   20   16    8 o   71.981   11.514   13.766   4.0890   6.7948   5.5820   21.839   6.0068   51.410   18.369   92.552   13.887 -41.14222 23.02732 
1 1 1   20   16    9 o   65.792   12.728   12.161   4.0881   14.257   5.6235   9.8116   5.9536   72.195   16.956   59.389   18.986 12.80641 25.45521 
1 1 1   20   16   10 f   59.150   14.283   9.6211   4.6570   9.6765   7.6233   9.5881   5.8822   59.410   21.439   58.890   18.877 0.5197449 28.56504 
1 1 1   20   16   11 o  103.825   25.410   33.378   12.229   0.0000   0.0000   33.378   12.229  ?   ?   103.825   25.410      ?      ? 
1 1 1   20   16   13 o   84.789   16.009   22.022   6.4388   23.911   7.9936   18.530   10.865   92.786   19.071   76.792   25.718 15.99407 32.01746 
1 1 1   20   16   14 o   39.559   12.879  -3.1063   5.4810  -5.4608   8.5648  -1.4734   7.1327   39.281   18.430   39.837   17.993 -0.5565109 25.75732 
1 1 1   20   16   15 o   52.658   14.086   2.6346   5.9675 -10.2921   8.5612   14.850   8.3224   35.174   17.018   70.142   22.450 -34.96805 28.17143 
1 1 1   20   16   16 o   80.471   14.804   21.566   6.3128   9.6242   11.248   27.057   7.6274   60.176   24.785  100.765   16.197 -40.58891 29.60804 
1 1 1   20   16   17 o   67.367   14.976   14.880   5.8248   5.9933   10.560   18.766   6.9833   54.188   23.252   80.545   18.880 -26.35688 29.95183 
1 1 1   20   16   18 f   69.763   14.850   14.977   5.2488   16.127   7.4717   13.856   7.3751   72.476   20.905   67.050   21.098 5.426109 29.70098 
1 1 1   20   16   19 o   82.186   14.439   20.407   5.5069   21.093   8.1528   19.831   7.4680   82.905   21.014   81.466   19.807 1.439148 28.87737 
1 1 1   20   16   20 o   56.268   13.753   9.3839   4.4753   7.2670   7.0762   10.795   5.7774   52.073   20.249   60.463   18.617 -8.389984 27.50663 
1 1 1   20   16   21 o   76.680   14.325   18.171   5.1935   17.425   7.9863   18.718   6.8364   73.762   21.710   79.598   18.696 -5.836227 28.65066 
1 1 1   20   16   22 o   52.128   14.741   7.1907   5.0390   7.2375   10.006   7.1749   5.8326   53.608   22.808   50.648   18.680 2.960392 29.48132 
1 1 1   20   16   23 o   53.275   12.608   8.3622   4.8561  -9.0502   9.9461   13.812   5.5644   37.840   18.316   68.711   17.330 -30.87081 25.21568 
1 1 1   20   16   24 o   58.980   15.461   10.768   5.7007   14.425   8.5785   7.8758   7.6288   65.268   22.822   52.693   20.864 12.57452 30.92146 
1 1 1   20   16   25 o   75.270   16.990   19.596   6.1200   20.823   15.125   19.356   6.6923   69.678   28.725   80.861   18.154 -11.18314 33.98083 
1 1 1   20   16   26 o   70.298   16.732   17.635   6.1257   16.573   15.011   17.848   6.7098   64.137   27.625   76.460   18.888 -12.32340 33.46468 
1 1 1   20   16   27 o   75.058   15.629   19.352   5.7751   19.763   9.4705   19.109   7.2866   72.964   23.995   77.151   20.032 -4.187050 31.25711 
1 1 1   20   16   28 o   41.408   12.512   2.8613   4.5272  -3.9762   8.3599   5.6985   5.3851   37.302   17.714   45.514   17.674 -8.211720 25.02319 
1 1 1   20   17    0 o  110.411   9.5681   30.819   6.7015   30.819   6.7015   30.819   6.7015  110.411   13.531  110.411   13.531 -0.000000 0.000000 
1 1 1   20   17    1 o  103.695   10.185   26.803   4.8675   23.639   6.2781   31.569   7.7070   96.497   13.921  110.893   14.871 -14.39590 20.36997 
1 1 1   20   17    2 o  178.582   10.527   81.230   8.6279   85.384   13.647   78.465   11.136  180.951   16.138  176.213   13.522 4.738419 21.05381 
1 1 1   20   17    3 o   82.416   9.8617   16.805   3.6533   21.857   5.8157   13.513   4.6953   93.088   13.368   71.745   14.502 21.34342 19.72346 
1 1 1   20   17    4 o   93.556   8.9433   21.339   3.8555   25.568   6.1054   18.534   4.9723  100.918   12.945   86.194   12.343 14.72441 17.88669 
1 1 1   20   17    5 o   58.994   12.638   9.5278   3.7736   9.6475   5.0458   9.3758   5.6844   59.493   17.185   58.494   18.536 0.9995918 25.27661 
1 1 1   20   17    6 o   91.910   15.168   26.169   6.1266   28.792   7.2008   19.293   11.659  106.135   14.517   77.684   26.638 28.45077 30.33659 
1 1 1   20   17    7 o   71.536   14.269   15.304   4.8961   16.740   5.7799   11.656   9.2126   79.030   16.193   64.042   23.498 14.98769 28.53705 
1 1 1   20   17    8 o  111.413   14.471   33.420   6.7919   31.085   8.1022   38.937   12.456  109.201   15.876  113.626   24.198 -4.424316 28.94138 
1 1 1   20   17    9 o  108.062   15.949   36.522   7.3827   40.476   8.9512   28.111   13.056  124.828   15.344   91.296   27.965 33.53275 31.89791 
1 1 1   20   17   10 o  152.438   33.111   84.434   22.914   84.434   22.914   0.0000   0.0000  152.438   33.111  ?   ?       ?      ? 
1 1 1   20   17   11 o   76.223   25.016   18.931   10.296   18.931   10.296   0.0000   0.0000   76.223   25.016  ?   ?       ?      ? 
1 1 1   20   17   12 o  104.053   18.096   35.916   8.9284   27.907   12.717   43.701   12.538   88.892   27.662  119.213   23.340 -30.32129 36.19275 
1 1 1   20   17   13 o   63.081   18.868   11.622   5.9941   0.0000   0.0000   11.622   5.9941  ?   ?    63.081   18.868      ?      ? 
1 1 1   20   17   14 o   59.634   14.767   10.577   4.9268   9.9635   8.9380   10.844   5.9049   58.436   22.748   60.832   18.836 -2.395424 29.53437 
1 1 1   20   17   15 o   75.590   12.319   16.595   5.0764   4.5560   7.1981   28.507   7.1602   47.488   19.717  103.692   14.775 -56.20391 24.63885 
1 1 1   20   17   16 o   78.984   14.148   18.923   5.3309   14.572   7.4789   23.417   7.6007   68.247   21.209   89.720   18.732 -21.47330 28.29666 
1 1 1   20   17   17 o  142.117   13.498   58.396   8.8627   67.088   12.589   49.855   12.479  154.946   17.385  129.288   20.653 25.65872 26.99609 
1 1 1   20   17   18 o   63.622   14.481   12.610   4.8959   12.155   7.0495   13.034   6.8047   62.409   20.710   64.835   20.244 -2.425953 28.96101 
1 1 1   20   17   19 o   40.345   12.409   1.4951   4.3343   3.0042   6.6018   0.3517   5.7461   43.335   18.484   37.356   16.560 5.978962 24.81744 
1 1 1   20   17   20 o   43.954   13.884   0.7646   4.8755   7.0142   10.247  -1.0644   5.5432   53.216   22.871   34.693   15.747 18.52299 27.76832 
1 1 1   20   17   21 o  133.144   17.592   59.304   10.243   58.561   12.899   60.572   16.851  139.988   19.716  126.299   29.142 13.68802 35.18436 
1 1 1   20   17   22 o   76.556   14.863   18.844   5.4424   18.264   8.6636   19.222   6.9948   73.391   22.831   79.721   19.037 -6.330185 29.72591 
1 1 1   20   17   23 o   76.843   17.214   21.737   7.0709   23.407   8.8873   18.858   11.672   84.150   22.256   69.536   26.266 14.61370 34.42710 
1 1 1   20   17   24 o   53.453   14.940   8.5697   5.1298   6.8249   11.360   9.0166   5.7493   52.600   23.303   54.305   18.701 -1.705528 29.87910 
1 1 1   20   17   25 o   69.117   16.891   16.481   5.7210   22.164   14.675   15.462   6.2125   67.998   28.186   70.236   18.623 -2.238487 33.78297 
1 1 1   20   17   26 o   46.541   13.679   5.7504   4.7460  -3.1771   12.131   7.3639   5.1571   43.655   20.898   49.428   17.656 -5.773331 27.35819 
1 1 1   20   18    0 f   31.401   13.796   2.4372   5.7524   2.4372   5.7524   2.4372   5.7524   31.401   19.510   31.401   19.510 -0.000000 0.000000 
1 1 1   20   18    1 o  139.479   15.715   51.614   10.244   51.614   10.244   0.0000   0.0000  139.479   15.715  ?   ?       ?      ? 
1 1 1   20   18    2 o   60.558   17.486   10.355   5.2252   10.355   5.2252   0.0000   0.0000   60.558   17.486  ?   ?       ?      ? 
1 1 1   20   18    3 o  143.604   14.718   60.806   8.1259   62.685   9.5271   55.788   15.566  156.553   13.021  130.655   26.400 25.89871 29.43677 
1 1 1   20   18    4 o   75.758   11.292   16.481   3.7613   18.572   4.6717   12.628   6.3419   85.923   11.634   65.592   19.358 20.33057 22.58494 
1 1 1   20   18    5 o   77.117   12.833   15.214   4.6251   15.214   4.6251   0.0000   0.0000   77.117   12.833  ?   ?       ?      ? 
1 1 1   20   18    6 o  118.693   12.508   35.938   6.9382   35.938   6.9382   0.0000   0.0000  118.693   12.508  ?   ?       ?      ? 
1 1 1   20   18    7 o  140.240   13.094   50.658   8.5818   50.658   8.5818   0.0000   0.0000  140.240   13.094  ?   ?       ?      ? 
1 1 1   20   18    8 o   55.979   12.824   9.0206   3.6575   9.4698   4.2330   7.6973   7.2652   58.561   15.299   53.397   20.586 5.164082 25.64837 
1 1 1   20   18    9 o  100.335   14.847   29.364   6.5895   25.625   8.3295   35.620   10.773   93.188   19.740  107.482   22.182 -14.29412 29.69341 
1 1 1   20   18   10 o   90.625   18.773   29.490   8.9040   38.101   12.575   20.832   12.609  106.509   25.584   74.741   27.480 31.76756 37.54581 
1 1 1   20   18   11 o  152.679   24.629   97.653   17.402   80.623   24.322  115.518   24.911  130.591   37.731  174.767   31.665 -44.17659 49.25708 
1 1 1   20   18   12 o   71.931   15.959   15.333   5.4959   13.006   6.4538   21.472   10.484   65.547   19.572   78.315   25.212 -12.76798 31.91707 
1 1 1   20   18   13 o   95.781   16.266   32.048   7.1975   35.425   8.5620   23.913   13.289  113.791   16.100   77.770   28.269 36.02111 32.53237 
1 1 1   20   18   14 o   57.862   15.141   7.7653   5.1451   3.7272   6.0812   17.937   9.6515   43.827   18.154   71.897   24.238 -28.07023 30.28262 
1 1 1   20   18   15 o   47.719   13.908   5.0120   5.2305   7.7562   6.3892  -0.5645   9.1079   52.158   19.488   43.280   19.849 8.877804 27.81687 
1 1 1   20   18   16 o   57.264   14.778   7.7357   5.4392   1.5499   6.8588   18.219   8.9289   41.501   18.259   73.028   23.241 -31.52731 29.55597 
1 1 1   20   18   17 o   41.181   13.197   0.3431   5.1969   0.9972   6.2392  -1.1390   9.3916   39.353   17.360   43.009   19.880 -3.656414 26.39324 
1 1 1   20   18   18 o   33.631   15.900  -4.4729   6.5946  -4.4729   6.5946   0.0000   0.0000   33.631   15.900  ?   ?       ?      ? 
1 1 1   20   18   19 o   47.987   19.611   5.5849   6.9740   5.5849   6.9740   0.0000   0.0000   47.987   19.611  ?   ?       ?      ? 
1 1 1   20   18   20 o   85.832   16.166   21.374   7.0467   10.029   8.6273   44.113   12.214   56.413   22.234  115.251   23.473 -58.83789 32.33219 
1 1 1   20   18   21 o   58.704   14.963   11.353   6.1914   17.332   7.7223   0.5936   10.360   72.052   21.386   45.355   20.935 26.69715 29.92670 
1 1 1   20   18   22 o   90.965   22.114   27.994   9.3097   27.994   9.3097   0.0000   0.0000   90.965   22.114  ?   ?       ?      ? 
1 1 1   20   18   23 f   44.636   13.682   3.9929   5.3550   6.2135   6.3972  -1.2061   9.7887   47.218   18.969   42.054   19.723 5.163773 27.36393 
1 1 1   20   19    0 o  140.612   10.363   50.728   9.3917   50.728   9.3917   50.728   9.3917  140.612   14.656  140.612   14.656 -0.000000 0.000000 
1 1 1   20   19    1 o  139.721   11.468   55.039   7.0654   44.362   11.095   62.323   9.1637  123.903   19.160  155.540   12.606 -31.63672 22.93560 
1 1 1   20   19    2 f   97.948   12.220   27.158   5.3542   20.502   7.5183   34.008   7.6267   82.615   19.742  113.280   14.406 -30.66412 24.43910 
1 1 1   20   19    3 o   65.034   11.601   12.397   3.5076   10.145   5.8001   13.695   4.4043   58.570   18.741   71.498   13.679 -12.92810 23.20253 
1 1 1   20   19    4 o   85.152   11.082   21.409   3.9372   15.282   6.6788   24.673   4.8742   71.065   19.514   99.239   10.509 -28.17442 22.16388 
1 1 1   20   19    5 o   84.173   13.340   21.138   5.1185   23.160   6.9422   18.730   7.5765   90.474   17.044   77.872   20.527 12.60197 26.68071 
1 1 1   20   19    6 o   35.063   10.910  -0.3003   3.6207   2.4340   4.8183  -3.8468   5.4874   38.890   16.138   31.236   14.687 7.654325 21.82068 
1 1 1   20   19    7 o   62.262   13.207   11.293   4.4146   6.5232   6.0607   16.685   6.4432   49.451   18.867   75.074   18.487 -25.62283 26.41450 
1 1 1   20   19    8 o  101.322   13.095   29.852   6.0504   27.426   8.5953   32.236   8.5182   95.296   19.940  107.348   16.979 -12.05210 26.18936 
1 1 1   20   19    9 o   81.985   13.835   23.464   6.1678   8.0143   10.210   32.343   7.7398   54.714   23.148  109.257   15.158 -54.54305 27.66929 
1 1 1   20   19   10 o  117.228   18.096   53.650   9.7266   34.918   17.259   62.369   11.774   85.372   32.004  149.085   16.899 -63.71329 36.19151 
1 1 1   20   19   11 o   94.323   19.211   34.010   9.3935   24.556   13.225   43.635   13.344   77.364   28.189  111.282   26.109 -33.91798 38.42221 
1 1 1   20   19   12 o  131.088   17.547   55.929   10.099   50.817   12.531   65.405   17.061  128.853   20.808  133.323   28.259 -4.470001 35.09338 
1 1 1   20   19   13 o   60.929   17.418   12.556   7.6467   13.416   11.455   11.864   10.270   61.994   25.212   59.864   24.039 2.130196 34.83572 
1 1 1   20   19   14 o   62.234   17.035   13.054   7.6164   5.4934   11.554   18.864   10.129   52.378   23.337   72.090   24.821 -19.71154 34.06930 
1 1 1   20   19   15 o   55.739   13.895   9.0973   5.3510   15.063   6.8075  -0.5485   8.6561   69.281   19.945   42.197   19.352 27.08370 27.79070 
1 1 1   20   19   16 o  119.991   16.612   44.358   8.9285   32.123   11.115   66.612   14.991   95.743   24.683  144.239   22.238 -48.49608 33.22316 
1 1 1   20   19   17 o  157.897   15.029   78.787   11.026   87.246   15.744   70.645   15.446  168.617   19.979  147.177   22.456 21.43935 30.05756 
1 1 1   20   19   18 o   82.200   14.760   22.031   5.7097   25.847   8.3779   18.722   7.8022   89.801   20.424   74.600   21.316 15.20153 29.52070 
1 1 1   20   19   19 o   74.964   14.581   18.858   5.2650   17.947   8.1706   19.506   6.8850   71.158   22.177   78.770   18.936 -7.612221 29.16194 
1 1 1   20   19   20 o   87.607   14.488   25.372   5.7972   23.940   8.9215   26.418   7.6269   82.335   22.530   92.879   18.222 -10.54417 28.97666 
1 1 1   20   20    0 o   43.200   13.899   7.0418   4.3000   7.0418   4.3000   7.0418   4.3000   43.200   19.656   43.200   19.656 -0.000000 0.000000 
1 1 1   20   20    1 o  121.757   9.0587   38.757   5.1331   34.902   7.2273   42.680   7.2918  114.985   13.449  128.528   12.139 -13.54337 18.11734 
1 1 1   20   20    2 o   63.593   12.182   10.482   3.7964   5.9951   4.7097   18.806   6.4153   46.916   16.861   80.270   17.587 -33.35469 24.36356 
1 1 1   20   20    3 o   90.159   11.026   20.333   4.3461   31.793   7.6151   14.797   5.2928  108.170   15.064   72.147   16.105 36.02215 22.05185 
1 1 1   20   20    4 o   86.795   9.0294   19.457   3.6426   21.845   5.5091   17.602   4.8555   91.384   12.899   82.206   12.638 9.177811 18.05870 
1 1 1   20   20    5 o  106.926   9.0039   28.603   4.1142   33.022   7.7035   26.839   4.8663  110.373   14.934  103.479   10.062 6.894676 18.00782 
1 1 1   20   20    6 o  103.055   10.711   27.483   5.0209   22.729   6.2822   35.889   8.3539   91.811   14.641  114.299   15.639 -22.48817 21.42272 
1 1 1   20   20    7 o  173.827   14.615   92.312   11.867   89.381   16.712   95.295   16.855  170.416   20.983  177.239   20.349 -6.823090 29.22946 
1 1 1   20   20    8 o  109.463   13.870   35.946   6.9396   38.021   9.8639   33.913   9.7650  114.213   18.479  104.712   20.688 9.501724 27.73937 
1 1 1   20   20    9 o   80.648   16.970   24.085   7.0573   19.568   12.913   26.009   8.4273   69.568   27.270   91.729   20.204 -22.16107 33.93921 
1 1 1   20   20   10 o   75.319   20.815   18.226   7.5708   0.0000   0.0000   18.226   7.5708  ?   ?    75.319   20.815      ?      ? 
1 1 1   20   20   11 o  108.310   14.021   35.750   6.8107   38.107   10.168   33.832   9.1725  110.885   20.371  105.734   19.272 5.150612 28.04289 
1 1 1   20   20   12 o   80.776   13.403   20.625   5.3112   13.121   7.6503   27.607   7.3794   62.365   21.566   99.186   15.919 -36.82042 26.80546 
1 1 1   20   20   13 o  104.473   13.954   34.115   6.6068   29.159   9.5008   38.755   9.1935   93.282   22.127  115.664   17.007 -22.38207 27.90825 
1 1 1   20   20   14 o   67.258   13.982   15.256   5.1520   8.6189   7.5984   20.903   7.0093   52.423   20.801   82.093   18.689 -29.66978 27.96368 
1 1 1   20   20   15 o  110.252   13.375   37.451   6.7496   37.626   9.6933   37.287   9.4039  109.238   19.712  111.267   18.084 -2.028564 26.75096 
1 1 1   20   20   16 o   59.682   14.321   12.068   4.8054   10.765   7.0818   13.180   6.5421   56.462   20.619   62.903   19.880 -6.441353 28.64238 
1 1 1   20   21    0 o  170.058   9.0518   73.124   10.041   73.124   10.041   73.124   10.041  170.058   12.801  170.058   12.801 -0.000000 0.000000 
1 1 1   20   21    1 o  125.757   11.750   45.715   6.7641   40.718   10.104   49.774   9.1056  116.625   18.538  134.888   14.444 -18.26283 23.50056 
1 1 1   20   21    2 o   90.955   12.692   24.495   5.1282   26.498   8.0673   23.137   6.6432   92.560   19.276   89.350   16.517 3.209373 25.38436 
1 1 1   20   21    3 o  139.223   11.219   53.781   7.1967   49.074   9.2972   60.818   11.367  133.114   14.945  145.331   16.736 -12.21640 22.43758 
1 1 1   20   21    4 o  161.286   9.3086   69.348   6.9380   82.830   10.100   57.301   9.5472  177.575   12.170  144.997   14.089 32.57767 18.61714 
1 1 1   20   21    5 o   53.364   11.024   7.4146   2.6173   10.668   5.2842   6.3570   3.0128   58.822   17.743   47.907   13.086 10.91544 22.04720 
1 1 1   20   21    6 o   75.355   13.277   17.717   4.6234   17.222   6.0963   18.387   7.0931   75.336   17.628   75.373   19.858 -0.3617859E-01 26.55367 
1 1 1   20   21    7 o   66.795   12.638   15.035   4.5016   19.982   5.7765   7.3839   7.1834   83.645   15.342   49.945   20.088 33.69978 25.27654 
1 1 1   20   21    8 o  145.351   21.076   86.170   13.163   91.415   22.951   83.599   16.069  131.524   36.197  159.179   21.600 -27.65518 42.15210 
1 1 1   20   21    9 o  117.685   18.021   48.630   9.1080   60.655   16.189   43.062   11.017  121.136   28.985  114.235   21.423 6.901321 36.04206 
1 1 1   20   21   10 o  104.680   14.415   35.355   6.7920   34.990   9.8022   35.692   9.4199  103.180   21.041  106.181   19.708 -3.001114 28.82929 
1 1 1   21    0    1 o  123.901   13.665   39.839   10.379   39.839   10.379   39.839   10.379  123.901   19.325  123.901   19.325 -0.000000 0.000000 
1 1 1   21    0    2 o   81.379   24.960   24.711   13.870   24.711   13.870   24.711   13.870   81.379   35.298   81.379   35.298 -0.000000 0.000000 
1 1 1   21    0    4 o   52.320   14.992   9.2526   5.0748   9.2526   5.0748   9.2526   5.0748   52.320   21.202   52.320   21.202 -0.000000 0.000000 
1 1 1   21    0    5 o  114.819   11.993   33.748   8.5181   33.748   8.5181   33.748   8.5181  114.819   16.961  114.819   16.961 -0.000000 0.000000 
1 1 1   21    0    6 o   97.243   12.700   24.968   7.3430   24.968   7.3430   24.968   7.3430   97.243   17.961   97.243   17.961 -0.000000 0.000000 
1 1 1   21    0    7 o   52.274   12.860   8.5638   4.0144   8.5638   4.0144   8.5638   4.0144   52.274   18.187   52.274   18.187 -0.000000 0.000000 
1 1 1   21    0    8 o   23.330   10.734  -0.1498   3.9904  -0.1498   3.9904  -0.1498   3.9904   23.330   15.180   23.330   15.180 -0.000000 0.000000 
1 1 1   21    0    9 o   27.250   11.417   2.0713   3.5599   2.0713   3.5599   2.0713   3.5599   27.250   16.146   27.250   16.146 -0.000000 0.000000 
1 1 1   21    0   10 o   46.290   12.930   7.1006   3.8051   7.1006   3.8051   7.1006   3.8051   46.290   18.285   46.290   18.285 -0.000000 0.000000 
1 1 1   21    0   11 o   35.096   12.092   4.3887   3.3014   4.3887   3.3014   4.3887   3.3014   35.096   17.101   35.096   17.101 -0.000000 0.000000 
1 1 1   21    0   12 o   65.966   13.512   12.797   5.1121   12.797   5.1121   12.797   5.1121   65.966   19.109   65.966   19.109 -0.000000 0.000000 
1 1 1   21    0   13 o  135.272   8.9536   44.776   7.8438   44.776   7.8438   44.776   7.8438  135.272   12.662  135.272   12.662 -0.000000 0.000000 
1 1 1   21    0   14 o  220.242   11.698  119.507   16.807  119.507   16.807  119.507   16.807  220.242   16.543  220.242   16.543 -0.000000 0.000000 
1 1 1   21    0   15 o  154.941   9.5321   58.793   9.5914   58.793   9.5914   58.793   9.5914  154.941   13.480  154.941   13.480 -0.000000 0.000000 
1 1 1   21    0   16 o  124.909   9.8542   38.818   7.8762   38.818   7.8762   38.818   7.8762  124.909   13.936  124.909   13.936 -0.000000 0.000000 
1 1 1   21    0   17 o  125.130   12.169   40.188   9.5227   40.188   9.5227   40.188   9.5227  125.130   17.210  125.130   17.210 -0.000000 0.000000 
1 1 1   21    0   18 o  140.236   11.482   49.677   10.271   49.677   10.271   49.677   10.271  140.236   16.238  140.236   16.238 -0.000000 0.000000 
1 1 1   21    0   19 o  104.604   17.571   31.523   10.544   31.523   10.544   31.523   10.544  104.604   24.849  104.604   24.849 -0.000000 0.000000 
1 1 1   21    0   20 o  185.940   13.376   87.861   16.048   87.861   16.048   87.861   16.048  185.940   18.916  185.940   18.916 -0.000000 0.000000 
1 1 1   21    0   21 o   97.313   10.429   24.298   6.2515   24.298   6.2515   24.298   6.2515   97.313   14.749   97.313   14.749 -0.000000 0.000000 
1 1 1   21    0   22 o   24.455   10.956   0.7300   3.8212   0.7300   3.8212   0.7300   3.8212   24.455   15.494   24.455   15.494 -0.000000 0.000000 
1 1 1   21    0   23 o   64.761   13.867   12.676   5.1788   12.676   5.1788   12.676   5.1788   64.761   19.611   64.761   19.611 -0.000000 0.000000 
1 1 1   21    0   24 f  221.754   11.559  122.738   16.730  122.738   16.730  122.738   16.730  221.754   16.347  221.754   16.347 -0.000000 0.000000 
1 1 1   21    0   25 o  131.345   9.2553   42.962   7.8515   42.962   7.8515   42.962   7.8515  131.345   13.089  131.345   13.089 -0.000000 0.000000 
1 1 1   21    0   26 o  107.085   10.376   29.485   6.9523   29.485   6.9523   29.485   6.9523  107.085   14.674  107.085   14.674 -0.000000 0.000000 
1 1 1   21    0   27 o   49.812   14.334   8.6117   4.6331   8.6117   4.6331   8.6117   4.6331   49.812   20.271   49.812   20.271 -0.000000 0.000000 
1 1 1   21    0   28 o   79.224   13.370   17.818   6.0745   17.818   6.0745   17.818   6.0745   79.224   18.908   79.224   18.908 -0.000000 0.000000 
1 1 1   21    0   29 f  263.538   14.170  180.221   24.353  180.221   24.353  180.221   24.353  263.538   20.039  263.538   20.039 -0.000000 0.000000 
1 1 1   21    0   30 o   50.492   15.154   9.2258   5.1300   9.2258   5.1300   9.2258   5.1300   50.492   21.431   50.492   21.431 -0.000000 0.000000 
1 1 1   21    0   31 o   21.217   10.182  -1.7407   4.2922  -1.7407   4.2922  -1.7407   4.2922   21.217   14.400   21.217   14.400 -0.000000 0.000000 
1 1 1   21    0   32 o   20.073   9.7942  -2.7675   4.3535  -2.7675   4.3535  -2.7675   4.3535   20.073   13.851   20.073   13.851 -0.000000 0.000000 
1 1 1   21    0   33 o   76.739   18.479   20.367   8.4054   20.367   8.4054   20.367   8.4054   76.739   26.134   76.739   26.134 -0.000000 0.000000 
1 1 1   21    0   34 o   75.196   16.700   18.608   7.2877   18.608   7.2877   18.608   7.2877   75.196   23.617   75.196   23.617 -0.000000 0.000000 
1 1 1   21    0   35 o   20.136   9.7624  -2.1890   4.1660  -2.1890   4.1660  -2.1890   4.1660   20.136   13.806   20.136   13.806 -0.000000 0.000000 
1 1 1   21    0   37 o   28.030   12.447   1.9249   4.8121   1.9249   4.8121   1.9249   4.8121   28.030   17.602   28.030   17.602 -0.000000 0.000000 
1 1 1   21    0   38 o   92.159   11.207   23.374   6.2205   23.374   6.2205   23.374   6.2205   92.159   15.849   92.159   15.849 -0.000000 0.000000 
1 1 1   21    1    1 o  109.075   20.463   31.432   10.048   0.0000   0.0000   31.432   10.048  ?   ?   109.075   20.463      ?      ? 
1 1 1   21    1    2 o  133.339   11.320   42.888   7.0543   0.0000   0.0000   42.888   7.0543  ?   ?   133.339   11.320      ?      ? 
1 1 1   21    1    3 o  188.646   13.664   87.087   12.046   0.0000   0.0000   87.087   12.046  ?   ?   188.646   13.664      ?      ? 
1 1 1   21    1    4 o  308.792   20.971  255.767   24.104  299.709   53.991  244.829   26.937  307.200   37.606  310.384   18.570 -3.183594 41.94116 
1 1 1   21    1    5 o  145.487   11.551   52.441   7.8087   56.434   11.832   49.360   10.393  150.047   16.873  140.927   15.781 9.119659 23.10258 
1 1 1   21    1    6 o   70.843   13.709   13.811   4.6853   10.185   7.9346   15.752   5.8056   63.501   21.963   78.185   16.411 -14.68416 27.41735 
1 1 1   21    1    7 o  107.350   10.086   28.784   4.9679   32.075   6.7143   24.802   7.3847  114.858   12.508   99.841   15.826 15.01755 20.17247 
1 1 1   21    1    8 o  137.818   10.412   47.368   6.5921   50.182   8.7480   43.669   10.028  143.394   13.054  132.242   16.225 11.15215 20.82452 
1 1 1   21    1    9 o  104.042   11.053   27.734   5.1049   30.829   6.8104   23.764   7.7124  112.405   12.964   95.679   17.906 16.72638 22.10632 
1 1 1   21    1   10 o  162.640   9.0474   64.754   6.7972   66.414   9.0362   62.591   10.316  165.618   11.674  159.662   13.825 5.955566 18.09475 
1 1 1   21    1   11 o   61.327   10.455   9.6218   2.9448   9.4590   3.9269   9.8309   4.4516   60.900   14.079   61.753   15.460 -0.8531647 20.90970 
1 1 1   21    1   12 o  156.188   11.458   62.852   8.0169   69.941   10.418   52.561   12.553  169.067   13.186  143.309   18.742 25.75761 22.91584 
1 1 1   21    1   13 f  192.206   10.670   91.849   9.5631   85.257   13.531   98.429   13.518  184.868   15.661  199.544   14.495 -14.67601 21.33960 
1 1 1   21    1   14 o   99.185   9.6078   24.195   4.4511   23.334   6.3001   25.053   6.2896   97.325   13.851  101.044   13.319 -3.718452 19.21562 
1 1 1   21    1   15 o  113.470   9.2781   31.587   4.9124   29.290   6.8650   33.998   7.0324  109.101   13.464  117.840   12.769 -8.739258 18.55626 
1 1 1   21    1   16 o  151.803   10.889   59.223   7.4588   50.167   11.529   65.743   9.7817  139.958   17.626  163.648   12.790 -23.69041 21.77740 
1 1 1   21    1   17 f  149.883   11.361   57.079   7.9111   50.494   11.187   63.667   11.189  140.482   17.039  159.284   15.031 -18.80196 22.72127 
1 1 1   21    1   18 o   77.755   13.660   16.357   4.8813   15.940   6.3354   16.967   7.6575   77.199   17.907   78.312   20.634 -1.112839 27.32024 
1 1 1   21    1   19 o  137.818   12.024   48.243   7.0020   47.591   8.3078   49.840   13.010  138.900   12.798  136.736   20.359 2.163437 24.04772 
1 1 1   21    1   20 o  115.033   11.408   33.730   6.0923   37.541   8.5673   29.832   8.6650  122.259   14.994  107.808   17.198 14.45130 22.81656 
1 1 1   21    1   21 o   64.841   11.368   11.320   3.7772   5.2736   5.6742   16.132   5.0618   48.982   18.353   80.699   13.421 -31.71702 22.73643 
1 1 1   21    1   22 o   74.751   10.784   14.632   3.7172   8.8645   5.2058   20.632   5.3095   57.943   17.641   91.559   12.408 -33.61612 21.56771 
1 1 1   21    1   23 o  181.518   10.039   82.748   8.5097   79.338   12.049   86.142   12.021  177.492   14.525  185.544   13.862 -8.051697 20.07829 
1 1 1   21    1   24 o  110.527   9.7080   30.761   5.0029   28.901   7.1390   32.557   7.0132  106.915   14.288  114.140   13.147 -7.225105 19.41604 
1 1 1   21    1   25 o   47.273   11.445   5.3826   3.1306   3.3112   4.3007   7.7174   4.5659   40.821   15.811   53.725   16.551 -12.90382 22.88927 
1 1 1   21    1   26 o   95.111   9.6008   22.946   4.2620   21.411   5.9247   24.592   6.1356   91.677   13.828   98.545   13.322 -6.867180 19.20152 
1 1 1   21    1   27 o   93.602   10.120   22.651   4.2417   17.848   5.8908   27.822   6.1128   81.729   15.995  105.475   12.401 -23.74558 20.23905 
1 1 1   21    1   28 o   77.718   11.208   16.114   3.9294   16.402   5.4441   15.801   5.6772   78.750   15.344   76.685   16.341 2.064667 22.41551 
1 1 1   21    1   29 o   73.611   11.738   14.801   3.9355   15.240   5.3769   14.294   5.7758   75.299   15.784   71.922   17.378 3.377365 23.47568 
1 1 1   21    1   30 o  141.678   9.4763   51.723   6.2308   45.104   8.7783   58.444   8.8455  131.658   14.267  151.698   12.477 -20.04065 18.95269 
1 1 1   21    1   31 o   76.134   11.528   16.134   3.9785   16.675   5.6240   15.591   5.6287   77.652   16.029   74.617   16.572 3.035561 23.05547 
1 1 1   21    1   32 o   98.181   10.731   26.127   4.7431   30.294   6.7067   21.957   6.7087  107.936   13.295   88.426   16.849 19.51044 21.46284 
1 1 1   21    1   33 o   59.300   12.731   9.8664   3.8405   13.716   6.0765   7.3060   4.9557   67.724   18.620   50.876   17.367 16.84773 25.46210 
1 1 1   21    1   34 o   69.941   12.466   13.581   3.9664   18.278   6.6583   10.997   4.9383   78.314   18.489   61.569   16.727 16.74527 24.93242 
1 1 1   21    1   35 o   54.502   18.697   8.8408   5.7444   8.8408   5.7444   0.0000   0.0000   54.502   18.697  ?   ?       ?      ? 
1 1 1   21    1   36 o   28.905   9.4075  -1.7956   2.8775  -1.6819   4.5042  -1.8740   3.7403   30.451   13.963   27.359   12.611 3.091803 18.81493 
1 1 1   21    1   37 o   43.810   14.123   1.4793   6.3203 -14.5391   14.962   4.9585   6.9730   41.776   20.672   45.844   19.248 -4.067223 28.24560 
1 1 1   21    1   38 o   44.789   12.923   4.6878   3.7913   3.9515   4.3528   7.0023   7.7175   40.272   15.819   49.305   20.439 -9.033432 25.84544 
1 1 1   21    2    0 o   28.438   12.335   1.7709   4.4592   1.7709   4.4592   1.7709   4.4592   28.438   17.444   28.438   17.444 -0.000000 0.000000 
1 1 1   21    2    1 o  104.464   10.668   27.077   5.1748   25.791   7.6390   28.168   7.0348  101.783   16.059  107.144   14.049 -5.361816 21.33690 
1 1 1   21    2    2 o  137.897   11.372   46.659   7.2751   54.101   11.100   41.055   9.6323  147.377   16.116  128.416   16.050 18.96072 22.74454 
1 1 1   21    2    3 o   67.426   12.469   12.933   3.8231   6.8953   8.1988   14.610   4.3217   57.170   21.912   77.683   11.904 -20.51332 24.93711 
1 1 1   21    2    4 o   72.140   11.377   13.334   3.7176   14.105   5.6172   12.732   4.9590   73.816   16.676   70.465   15.481 3.351089 22.75450 
1 1 1   21    2    5 o  133.301   10.907   34.308   5.3764   62.586   13.629   29.097   5.8509  156.834   18.595  109.768   11.405 47.06648 21.81393 
1 1 1   21    2    6 o  121.144   13.761   35.707   5.6500   41.840   13.965   34.507   6.1783  122.642   25.207  119.646   11.049 2.995605 27.52192 
1 1 1   21    2    7 o   64.527   11.632   9.4329   3.3309   15.294   6.1542   7.0048   3.9613   76.535   17.576   52.519   15.242 24.01595 23.26490 
1 1 1   21    2    8 o   93.551   12.369   24.984   4.8686   15.147   8.1182   30.509   6.0841   74.800   21.853  112.301   11.592 -37.50107 24.73711 
1 1 1   21    2    9 o  121.781   10.366   37.512   5.7172   41.868   7.5469   31.645   8.7585  131.254   12.303  112.308   16.687 18.94545 20.73203 
1 1 1   21    2   10 f  104.348   10.729   28.099   4.9126   33.063   6.6155   21.996   7.3350  116.679   12.132   92.018   17.699 24.66064 21.45785 
1 1 1   21    2   11 o   78.486   10.940   15.667   3.9213   12.435   5.5071   18.992   5.5848   68.981   17.155   87.991   13.581 -19.00946 21.87963 
1 1 1   21    2   12 o   95.498   14.216   28.112   5.5939   32.638   6.5163   15.434   10.907  115.916   12.029   75.080   25.762 40.83689 28.43216 
1 1 1   21    2   13 o   54.824   12.416   6.2359   3.7256   2.6590   4.6726   12.478   6.1727   41.056   16.306   68.593   18.729 -27.53681 24.83219 
1 1 1   21    2   14 o   94.762   14.386   22.776   5.7248   20.771   6.7721   27.797   10.717   89.584   16.792   99.940   23.363 -10.35654 28.77151 
1 1 1   21    2   15 o   95.033   11.719   22.804   5.0719   20.565   6.7152   25.777   7.7386   89.010   16.758  101.057   16.385 -12.04673 23.43704 
1 1 1   21    2   16 o  133.157   15.166   47.187   8.4401   46.215   10.148   49.367   15.202  135.233   16.056  131.081   25.734 4.152145 30.33192 
1 1 1   21    2   17 o  141.804   14.248   52.622   7.7409   51.773   8.8783   55.311   15.807  144.777   13.122  138.832   25.295 5.944534 28.49570 
1 1 1   21    2   18 f   74.718   11.390   14.418   3.9611   18.628   5.7546   10.627   5.4605   86.354   14.259   63.083   17.765 23.27085 22.78009 
1 1 1   21    2   19 o   58.130   11.943   8.9191   3.4428   9.4532   4.7123   8.3076   5.0422   59.903   16.367   56.358   17.398 3.545074 23.88692 
1 1 1   21    2   20 o  139.928   10.474   48.591   6.7515   46.239   8.7561   52.039   10.603  136.464   13.729  143.392   15.822 -6.927612 20.94801 
1 1 1   21    2   21 o   99.154   11.684   25.192   5.1902   19.047   7.0479   32.474   7.6720   84.319   18.402  113.989   14.401 -29.67022 23.36723 
1 1 1   21    2   22 o  169.020   11.168   72.260   8.7018   74.678   13.523   70.552   11.368  170.357   16.986  167.683   14.506 2.674622 22.33681 
1 1 1   21    2   23 o   39.645   10.642   1.8695   2.8758  -0.9594   3.6973   6.2021   4.5757   29.664   13.210   49.625   16.689 -19.96109 21.28470 
1 1 1   21    2   24 o   66.393   11.434   11.854   3.5363   13.581   4.9605   10.070   5.0427   71.761   15.261   61.026   17.032 10.73478 22.86887 
1 1 1   21    2   25 o   60.256   11.863   9.8255   3.4717   8.5890   4.7517   11.241   5.0847   56.321   16.789   64.191   16.766 -7.870564 23.72685 
1 1 1   21    2   26 o  118.842   9.2476   35.616   5.0465   27.786   6.9425   44.390   7.3486  104.159   14.262  133.526   11.776 -29.36729 18.49529 
1 1 1   21    2   27 o   94.183   10.134   23.074   4.2293   17.213   5.9210   29.179   6.0431   80.045   16.380  108.321   11.937 -28.27685 20.26794 
1 1 1   21    2   28 o   71.467   12.285   16.161   4.3410   20.240   5.1287   5.8532   8.1521   90.132   12.175   52.802   21.342 37.32946 24.57079 
1 1 1   21    2   29 o   99.567   11.148   24.336   4.9613   20.515   6.0356   32.297   8.7119   89.164   14.484  109.971   16.951 -20.80650 22.29618 
1 1 1   21    2   30 o   64.802   13.336   11.053   3.9371   9.2979   4.6191   15.716   7.5286   57.769   16.364   71.834   21.061 -14.06531 26.67114 
1 1 1   21    2   31 o   54.828   13.458   7.8732   4.1154   5.6359   5.1292   11.916   6.8949   47.011   17.481   62.645   20.467 -15.63433 26.91669 
1 1 1   21    2   32 o   73.772   13.485   16.568   4.5404   17.297   5.4803   14.972   8.1077   79.378   15.328   68.166   22.191 11.21222 26.96975 
1 1 1   21    2   33 o   55.840   13.551   9.4255   4.3988   11.204   5.6233   6.6206   7.0612   61.338   18.259   50.343   20.028 10.99495 27.10232 
1 1 1   21    2   34 o   58.668   14.599   11.214   5.1244   12.962   5.8884   5.7590   10.403   65.579   18.441   51.757   22.636 13.82249 29.19724 
1 1 1   21    2   35 o   50.570   17.073   7.3066   4.7888   7.3066   4.7888   0.0000   0.0000   50.570   17.073  ?   ?       ?      ? 
1 1 1   21    2   36 o   44.839   17.278   5.1621   5.1158   5.1621   5.1158   0.0000   0.0000   44.839   17.278  ?   ?       ?      ? 
1 1 1   21    2   37 o   28.569   9.2706  -3.4231   3.0106   1.4878   4.3393  -7.9810   4.1804   34.958   14.950   22.180   10.967 12.77838 18.54116 
1 1 1   21    3    0 o  235.482   10.051  134.286   15.512  134.286   15.512  134.286   15.512  235.482   14.214  235.482   14.214 -0.000000 0.000000 
1 1 1   21    3    1 o   97.622   8.3680   22.940   3.8070   21.026   5.1702   25.206   5.6266   93.189   11.871  102.055   11.797 -8.865509 16.73603 
1 1 1   21    3    2 o  107.697   10.225   31.118   4.5032   36.258   5.6475   22.144   7.4622  123.050   9.8203   92.343   17.938 30.70746 20.44984 
1 1 1   21    3    3 o  249.807   16.074  165.267   18.758  160.556   26.558  169.957   26.498  245.743   23.125  253.871   22.334 -8.127441 32.14895 
1 1 1   21    3    4 o  135.178   14.128   47.911   8.2973   49.203   10.454   45.709   13.641  140.582   15.911  129.773   23.350 10.80830 28.25545 
1 1 1   21    3    5 o  121.488   10.288   37.350   5.2747   33.874   9.5269   38.887   6.3342  115.835   17.598  127.140   10.660 -11.30534 20.57520 
1 1 1   21    3    6 o  188.922   9.3909   86.210   8.2139   94.736   12.703   80.082   10.768  196.502   13.832  181.342   12.706 15.16016 18.78185 
1 1 1   21    3    7 o  244.618   16.651  155.037   14.901  167.682   33.848  151.998   16.595  240.775   30.080  248.461   14.292 -7.685852 33.30278 
1 1 1   21    3    8 o  108.675   8.6036   29.333   4.2473   24.963   6.4913   32.605   5.6165  100.856   13.772  116.493   10.316 -15.63752 17.20712 
1 1 1   21    3    9 o   43.234   9.1260   3.5599   2.6065  -2.9861   3.9137   8.7776   3.4941   27.564   12.774   58.904   13.037 -31.33970 18.25206 
1 1 1   21    3   10 o  155.051   8.5885   57.396   6.1666   68.907   9.4221   48.772   8.1560  168.502   11.965  141.601   12.324 26.90099 17.17694 
1 1 1   21    3   11 o  119.735   11.877   36.032   6.6419   37.373   9.5969   34.799   9.2017  121.842   16.854  117.628   16.739 4.213829 23.75329 
1 1 1   21    3   12 o  124.442   10.454   37.853   6.0170   34.911   7.8575   42.024   9.3559  118.983   14.130  129.900   15.411 -10.91683 20.90859 
1 1 1   21    3   13 o   97.084   12.666   25.060   5.4921   31.904   7.6178   17.653   7.9255  113.575   14.352   80.593   20.875 32.98201 25.33252 
1 1 1   21    3   14 f   94.948   13.131   24.900   5.6363   34.751   7.7584   13.890   8.2019  118.580   14.000   71.316   22.219 47.26368 26.26130 
1 1 1   21    3   15 o  148.226   11.747   55.685   8.1157   61.029   11.637   50.624   11.324  155.564   16.006  140.887   17.199 14.67705 23.49438 
1 1 1   21    3   16 o  106.234   11.070   29.194   5.2025   36.216   7.3238   22.041   7.3915  121.233   12.926   91.236   17.974 29.99688 22.13976 
1 1 1   21    3   17 o   58.262   13.417   9.4634   4.6746   12.844   5.3402  -1.6180   9.6690   69.711   16.625   46.813   21.065 22.89837 26.83484 
1 1 1   21    3   18 o   60.425   12.803   10.288   4.0885   12.717   4.9260   4.9106   7.3302   69.793   15.505   51.057   20.377 18.73611 25.60507 
1 1 1   21    3   19 f   64.603   13.070   9.9477   3.9653   7.3609   4.7753   15.693   7.1164   53.490   16.994   75.716   19.863 -22.22613 26.14072 
1 1 1   21    3   20 o   46.708   13.535   3.3605   3.7618   3.3608   4.1096   3.3590   9.3437   41.068   15.568   52.348   22.146 -11.27991 27.06994 
1 1 1   21    3   21 o   81.772   14.946   20.972   5.6541   23.775   6.3446   10.160   12.463   97.703   13.895   65.842   26.467 31.86114 29.89243 
1 1 1   21    3   22 o   33.852   10.809  -0.8441   3.1480  -0.0580   3.5499  -3.7380   6.8110   30.866   13.364   36.839   16.994 -5.972910 21.61874 
1 1 1   21    3   23 o   37.083   11.430   0.6083   3.3373   1.3678   3.8015  -1.9445   6.9694   34.891   14.394   39.276   17.759 -4.384983 22.85991 
1 1 1   21    3   24 o   44.312   12.394   3.5654   3.3777   3.1947   3.8812   4.7228   6.8572   39.622   15.103   49.001   19.655 -9.379242 24.78742 
1 1 1   21    3   25 o   54.028   12.820   7.6899   3.5662   7.7947   4.1425   7.3900   7.0091   53.942   15.568   54.113   20.373 -0.1711426 25.64030 
1 1 1   21    3   26 o   40.417   11.391  -1.8541   2.7750  -4.2029   3.0411   9.8342   6.7838   21.406   10.303   59.429   20.319 -38.02265 22.78215 
1 1 1   21    3   27 o   43.042   11.647  -0.2288   2.9975  -2.8988   3.3493   10.516   6.7190   24.732   11.579   61.352   20.212 -36.61958 23.29392 
1 1 1   21    3   28 f   45.470   11.296   4.9635   2.9192   4.3728   3.7395   5.8851   4.6709   42.666   15.057   48.274   16.842 -5.608131 22.59141 
1 1 1   21    3   29 o   47.556   11.315   5.6982   3.2768   8.7853   4.3337   1.5775   5.0069   56.720   15.775   38.393   16.225 18.32686 22.62971 
1 1 1   21    3   30 f   45.476   11.024   5.0333   3.1144   8.2723   4.2401   1.2383   4.5896   54.689   15.740   36.262   15.438 18.42744 22.04731 
1 1 1   21    3   31 o   31.266   9.5983   0.3116   2.5757   1.1839   3.1926  -1.3143   4.3590   31.627   13.131   30.905   14.003 0.7218761 19.19662 
1 1 1   21    3   32 o   50.796   14.320   4.8482   3.8824   12.128   9.9805   3.5502   4.2144   61.373   23.998   40.220   15.631 21.15235 28.63926 
1 1 1   21    3   33 o   53.390   16.099   5.6769   7.0391   13.263   11.249   0.7946   9.0242   62.236   25.100   44.544   20.168 17.69143 32.19886 
1 1 1   21    3   34 f   56.860   14.626   8.0179   4.0265   6.6457   4.4104   14.886   9.8671   48.686   16.385   65.033   24.234 -16.34692 29.25297 
1 1 1   21    3   35 o   41.522   11.678   3.4351   3.7918  -6.4965   7.8751   6.4324   4.3262   35.057   16.797   47.988   16.227 -12.93057 23.35519 
1 1 1   21    3   36 o   48.529   11.577   6.2660   3.4729   10.524   4.8564   1.8100   4.9683   59.646   16.739   37.413   15.998 22.23239 23.15453 
1 1 1   21    3   37 o   44.003   13.238   4.3142   4.6063 -10.1699   13.131   6.3467   4.9189   41.105   20.148   46.900   17.176 -5.794907 26.47529 
1 1 1   21    4    0 o   93.333   8.2848   21.632   4.8922   21.632   4.8922   21.632   4.8922   93.333   11.717   93.333   11.717 -0.000000 0.000000 
1 1 1   21    4    1 o   95.522   8.8888   22.191   3.9657   22.015   5.5037   22.382   5.7192   95.187   12.372   95.858   12.766 -0.6704865 17.77752 
1 1 1   21    4    2 o   49.413   9.5749   5.8736   2.4725   9.5621   3.5920   2.5522   3.4086   61.603   12.890   37.223   14.162 24.38021 19.14982 
1 1 1   21    4    3 o   56.005   11.146   7.8603   2.9897   7.0762   3.8362   9.0731   4.7711   52.737   14.904   59.273   16.576 -6.536030 22.29127 
1 1 1   21    4    4 o   92.040   10.201   21.845   3.9185   23.186   4.7968   19.155   6.7934   98.216   10.450   85.865   17.522 12.35039 20.40187 
1 1 1   21    4    5 o  138.314   9.9242   45.892   6.3305   40.114   8.1844   54.497   9.9879  127.903   13.692  148.725   14.370 -20.82256 19.84839 
1 1 1   21    4    6 o   99.573   10.679   25.316   4.6341   22.908   7.4705   26.822   5.9082   94.002   17.653  105.144   12.023 -11.14193 21.35869 
1 1 1   21    4    7 o   48.311   12.064   5.1385   3.0695   5.7885   6.1614   4.9239   3.5400   51.554   19.162   45.067   14.663 6.486763 24.12826 
1 1 1   21    4    8 o   45.683   9.8152   4.8246   2.8314  -1.9684   4.6162   8.9212   3.5848   32.038   14.473   59.327   13.262 -27.28838 19.63042 
1 1 1   21    4    9 o   69.784   10.423   13.006   3.2846   9.0354   5.1901   15.659   4.2421   59.081   17.531   80.488   11.277 -21.40709 20.84542 
1 1 1   21    4   10 o   61.326   10.514   10.865   3.2846   2.9800   5.7306   14.723   4.0083   44.551   17.933   78.100   10.982 -33.54914 21.02871 
1 1 1   21    4   11 o   53.842   11.959   7.0917   3.7227   2.0250   5.5833   11.147   4.9951   42.232   17.436   65.451   16.372 -23.21892 23.91732 
1 1 1   21    4   12 o  119.911   14.236   39.442   6.5394   34.447   12.896   41.171   7.5872  109.939   25.581  129.882   12.499 -19.94250 28.47106 
1 1 1   21    4   13 o  147.762   23.212   59.107   16.030   0.0000   0.0000   59.107   16.030  ?   ?   147.762   23.212      ?      ? 
1 1 1   21    4   14 o  216.794   20.570  142.255   18.349  154.867   22.834  119.265   30.829  242.728   20.129  190.859   35.879 51.86848 41.13997 
1 1 1   21    4   15 o  125.833   14.635   48.130   7.2173   58.158   8.8612   28.369   12.439  154.021   12.310   97.645   26.556 56.37537 29.27086 
1 1 1   21    4   16 o   62.857   12.509   9.9856   4.2004   16.468   6.1240   4.2269   5.7721   78.920   17.098   46.795   18.263 32.12439 25.01755 
1 1 1   21    4   17 o  102.548   14.387   29.616   6.5880   22.297   10.163   34.920   8.6518   87.717   24.066  117.379   15.771 -29.66239 28.77331 
1 1 1   21    4   18 o   87.841   13.012   19.066   4.8808   25.735   8.8504   16.151   5.8509   97.246   20.137   78.436   16.485 18.80933 26.02355 
1 1 1   21    4   19 o  101.571   11.791   23.884   5.2034   38.179   9.1810   17.119   6.3157  122.711   16.009   80.431   17.314 42.27971 23.58109 
1 1 1   21    4   20 o  108.787   13.599   33.075   6.1317   26.782   10.645   36.200   7.5012   96.645   23.739  120.929   13.273 -24.28410 27.19770 
1 1 1   21    4   21 o   79.253   15.112   17.473   5.6518   18.662   8.8782   16.663   7.3286   80.820   22.615   77.686   20.050 3.134155 30.22305 
1 1 1   21    4   22 o   74.055   17.331   16.273   6.4574   11.561   15.375   17.282   7.1154   68.929   28.734   79.182   19.384 -10.25217 34.66119 
1 1 1   21    4   23 o   38.817   11.058   2.2723   3.0288   1.7448   3.9005   3.0734   4.8070   36.022   14.688   41.611   16.534 -5.588425 22.11596 
1 1 1   21    4   24 o   47.133   11.615   5.0820   3.1338   3.3018   4.0117   7.8686   5.0194   40.107   15.339   54.159   17.445 -14.05184 23.22963 
1 1 1   21    4   25 o   99.931   9.9576   25.524   4.6462   25.609   6.4464   25.431   6.7024  100.303   13.752   99.558   14.405 0.7449341 19.91523 
1 1 1   21    4   26 o   58.119   11.041   8.2247   3.2633   3.9737   4.2250   14.510   5.1376   42.367   15.844   73.871   15.381 -31.50489 22.08193 
1 1 1   21    4   27 o   74.318   10.638   13.982   3.6135   10.485   4.7269   18.899   5.6051   62.336   16.109   86.301   13.897 -23.96508 21.27527 
1 1 1   21    4   28 o   47.117   10.895   4.6091   3.0157   0.9899   3.9161   9.8825   4.7271   34.085   14.374   60.149   16.376 -26.06332 21.78924 
1 1 1   21    4   29 o   61.602   11.262   10.935   3.3803   13.521   4.4065   7.2379   5.2693   71.541   13.678   51.662   17.896 19.87865 22.52488 
1 1 1   21    4   30 o   58.078   11.162   8.8099   3.1527   5.9052   4.0509   13.272   5.0209   46.982   15.703   69.175   15.868 -22.19370 22.32468 
1 1 1   21    4   31 f   35.867   11.979  -2.1508   3.3371   0.9163   9.4135  -2.5917   3.5689   45.915   20.711   25.820   12.044 20.09559 23.95820 
1 1 1   21    4   32 o   57.352   16.118   8.0070   6.8619   17.217   10.346   0.7736   9.1687   69.708   24.997   44.996   20.355 24.71236 32.23584 
1 1 1   21    4   33 o   84.738   12.216   18.360   4.6368   31.082   8.0946   12.146   5.6568  105.732   16.381   63.743   18.128 41.98945 24.43281 
1 1 1   21    4   34 o   67.418   12.863   13.231   4.2041   17.888   6.4239   9.7428   5.5601   77.814   18.019   57.021   18.361 20.79234 25.72555 
1 1 1   21    4   35 o   64.710   11.537   12.788   3.9345   5.9687   6.0678   17.735   5.1682   47.678   18.693   81.741   13.529 -34.06378 23.07461 
1 1 1   21    4   36 o   59.848   15.035   11.345   4.9713   14.831   9.0159   9.8219   5.9589   63.817   23.271   55.880   19.044 7.936817 30.07032 
1 1 1   21    4   37 o   44.647   11.961   5.3930   3.4010   4.5294   4.4836   6.5632   5.2192   41.888   16.166   47.406   17.633 -5.518116 23.92169 
1 1 1   21    5    0 o   90.105   9.4213   20.567   5.2503   20.567   5.2503   20.567   5.2503   90.105   13.324   90.105   13.324 -0.000000 0.000000 
1 1 1   21    5    1 o  124.010   9.7700   37.922   5.2862   38.270   6.4489   37.211   9.2289  125.989   10.953  122.032   16.182 3.956718 19.54010 
1 1 1   21    5    2 o  275.267   11.347  189.365   14.562  174.926   20.578  203.849   20.609  264.040   16.676  286.495   15.392 -22.45462 22.69361 
1 1 1   21    5    3 o  250.361   11.368  155.356   13.199  147.427   17.448  165.961   20.180  243.690   15.320  257.032   16.799 -13.34146 22.73623 
1 1 1   21    5    4 o  120.915   8.2112   34.959   4.6061   31.915   6.0801   39.058   7.0564  114.919   11.321  126.911   11.897 -11.99191 16.42246 
1 1 1   21    5    5 f  113.692   8.9636   29.148   4.5807   22.386   5.6450   42.185   7.8383   95.859   12.601  131.524   12.752 -35.66499 17.92722 
1 1 1   21    5    6 o   92.595   9.5867   20.456   4.0916   17.081   5.3116   25.380   6.4167   83.437   13.621  101.752   13.493 -18.31532 19.17337 
1 1 1   21    5    7 o   70.158   10.187   12.565   3.2292   14.334   4.5777   10.813   4.5559   75.508   13.466   64.808   15.289 10.70030 20.37392 
1 1 1   21    5    8 o   94.566   11.236   22.729   4.4914   22.329   7.8882   22.921   5.4635   91.995   18.977   97.137   12.035 -5.142624 22.47167 
1 1 1   21    5    9 f  149.044   9.6302   55.762   6.1980   51.120   10.809   58.035   7.5652  142.814   16.195  155.275   10.425 -12.46141 19.26031 
1 1 1   21    5   10 o  107.209   10.596   29.734   4.6193   26.579   8.3656   31.118   5.5406  100.749   18.447  113.668   10.430 -12.91913 21.19102 
1 1 1   21    5   11 o  170.274   12.579   74.314   9.9282   65.162   14.178   83.119   13.907  158.844   19.098  181.705   16.377 -22.86037 25.15852 
1 1 1   21    5   12 f  123.585   10.753   38.789   6.0810   43.144   8.1744   33.392   9.0994  132.470   13.204  114.700   16.975 17.77026 21.50550 
1 1 1   21    5   13 o  123.997   15.858   40.895   7.8093   44.311   15.475   39.727   9.0456  122.185   27.734  125.808   15.385 -3.623001 31.71549 
1 1 1   21    5   14 o   94.336   15.867   25.959   5.6269   21.744   13.947   26.778   6.1496   84.303   29.121  104.368   12.608 -20.06523 31.73320 
1 1 1   21    5   15 o  142.759   16.490   56.467   8.4971   56.254   18.429   56.525   9.5757  134.600   30.055  150.917   13.577 -16.31693 32.97963 
1 1 1   21    5   16 o  120.455   11.638   37.033   6.5503   36.161   9.2567   37.908   9.2704  118.912   16.657  121.999   16.259 -3.086433 23.27673 
1 1 1   21    5   17 o   88.065   12.664   21.478   5.2223   32.403   7.3114   10.099   7.4617  114.216   13.697   61.913   21.305 52.30312 25.32818 
1 1 1   21    5   18 o   58.247   14.388   8.7189   4.8702   6.3776   7.8277   10.198   6.2210   54.668   21.287   61.826   19.365 -7.158375 28.77697 
1 1 1   21    5   19 o   61.795   14.816   9.7485   4.9463   11.797   8.2416   8.5954   6.1839   65.954   22.397   57.636   19.401 8.317947 29.63157 
1 1 1   21    5   20 o   47.108   12.189   4.7662   3.7110   7.4312   4.9337   1.2937   5.6317   53.659   17.297   40.558   17.177 13.10096 24.37729 
1 1 1   21    5   21 f   49.992   12.247   5.4967   3.7415   1.7356   5.1539   9.6877   5.4404   39.912   16.637   60.073   17.977 -20.16098 24.49448 
1 1 1   21    5   22 o   47.329   12.373   4.6901   3.7698   1.8660   5.2099   7.7936   5.4615   40.148   16.731   54.510   18.234 -14.36248 24.74621 
1 1 1   21    5   23 o   71.173   14.619   17.491   6.4564 -11.6243   16.115   23.059   7.0468   49.681   23.863   92.666   16.894 -42.98467 29.23779 
1 1 1   21    5   24 o   58.004   15.255   9.2051   4.9967   0.4536   14.067   10.469   5.3453   54.511   24.875   61.498   17.665 -6.987446 30.50921 
1 1 1   21    5   25 o   59.489   13.537   7.5599   4.2579   16.869   7.7273   3.5012   5.1023   76.035   21.035   42.942   17.044 33.09267 27.07360 
1 1 1   21    5   26 o   45.529   13.028   3.2133   3.9158   6.0555   7.4468   2.1271   4.6037   52.240   20.636   38.818   15.907 13.42219 26.05523 
1 1 1   21    5   27 o   66.274   13.807   12.688   4.4650   10.941   8.0546   13.463   5.3647   62.177   22.081   70.372   16.584 -8.194214 27.61498 
1 1 1   21    5   28 o   41.370   11.721   2.4538   3.8820  -5.8875   7.0682   6.0567   4.6453   34.487   16.351   48.253   16.798 -13.76505 23.44248 
1 1 1   21    5   29 o   42.093   10.685   2.4744   3.7282 -13.5818   7.0982   8.5912   4.3812   28.599   14.167   55.587   16.000 -26.98768 21.37092 
1 1 1   21    5   30 o   42.326   13.434  -1.9088   3.3832   10.791   10.457  -3.3938   3.5755   59.903   24.185   24.749   11.703 35.15388 26.86814 
1 1 1   21    5   31 o   61.423   15.799   9.3715   4.7038   18.503   11.420   7.5057   5.1620   71.257   26.159   51.589   17.722 19.66808 31.59702 
1 1 1   21    5   32 o   67.309   14.492   14.281   4.9003   14.062   8.1287   14.406   6.1419   65.330   22.243   69.288   18.584 -3.958885 28.98428 
1 1 1   21    5   33 o   36.574   11.603  -0.2351   3.6866   1.9087   6.9960  -1.0592   4.3377   42.212   18.510   30.936   13.997 11.27607 23.20615 
1 1 1   21    5   34 o   47.305   10.888   6.2940   2.8269   7.4579   3.6641   4.5826   4.4432   51.727   14.548   42.883   16.204 8.844402 21.77601 
1 1 1   21    5   35 o   31.805   9.4613   1.3606   2.1617   1.6953   2.4689   0.2612   4.4746   30.251   11.904   33.358   14.710 -3.106762 18.92264 
1 1 1   21    5   36 f   57.316   11.544   9.2685   2.9488   8.6830   3.4035   11.031   5.9056   55.943   13.226   58.688   18.925 -2.745487 23.08867 
1 1 1   21    6    0 o  132.741   7.7278   42.649   6.6741   42.649   6.6741   42.649   6.6741  132.741   10.929  132.741   10.929 -0.000000 0.000000 
1 1 1   21    6    1 o  173.765   8.4356   73.310   6.8455   76.133   9.6573   70.458   9.7049  177.275   11.656  170.255   12.197 7.020264 16.87113 
1 1 1   21    6    2 o  172.882   8.1864   72.459   6.5980   78.346   9.3514   66.624   9.3108  180.122   11.109  165.641   12.028 14.48085 16.37276 
1 1 1   21    6    3 o  194.238   8.8440   91.904   8.0284   92.037   11.358   91.772   11.350  194.381   12.503  194.095   12.512 0.2864075 17.68810 
1 1 1   21    6    4 o  226.365   10.747  125.703   11.291  114.043   14.935  141.262   17.251  214.528   14.896  238.203   15.497 -23.67451 21.49494 
1 1 1   21    6    5 o   80.539   9.2665   16.404   3.3184   18.227   4.4229   14.057   5.0193   86.918   10.888   74.160   14.997 12.75865 18.53298 
1 1 1   21    6    6 o  100.563   9.3216   24.537   4.3118   26.058   6.7994   23.514   5.5765  102.793   14.154   98.333   12.134 4.459488 18.64325 
1 1 1   21    6    7 o  117.482   12.950   36.010   6.5699   37.077   8.2276   34.133   10.914  122.474   14.374  112.490   21.545 9.983315 25.89991 
1 1 1   21    6    8 o  112.193   10.350   31.210   5.4211   29.546   7.6387   32.898   7.6948  109.021   14.992  115.364   14.272 -6.342926 20.69907 
1 1 1   21    6    9 f  111.757   15.187   37.099   6.3595   40.226   7.2614   26.804   13.175  128.512   12.090   95.002   27.864 33.51051 30.37356 
1 1 1   21    6   10 o  203.439   17.697  111.915   15.934  105.758   19.503  124.275   27.634  200.142   20.851  206.736   28.601 -6.593796 35.39447 
1 1 1   21    6   11 o  166.252   12.820   72.050   9.7822   59.980   14.182   83.004   13.511  151.040   20.091  181.465   15.931 -30.42566 25.64044 
1 1 1   21    6   12 o  120.596   10.857   36.045   5.8643   38.462   9.9077   34.742   7.2756  122.510   17.304  118.681   13.117 3.829681 21.71416 
1 1 1   21    6   13 o  174.638   12.862   78.812   10.345   96.669   15.108   63.050   14.195  194.649   16.608  154.627   19.643 40.02191 25.72305 
1 1 1   21    6   14 o  313.892   20.581  296.984   29.182  286.695   46.251  303.789   37.615  299.106   33.086  328.677   24.488 -29.57095 41.16256 
1 1 1   21    6   15 o  167.446   12.219   73.483   9.1702   66.074   14.678   78.227   11.744  157.883   19.893  177.010   14.197 -19.12776 24.43892 
1 1 1   21    6   16 o  104.645   16.059   32.569   6.4443   26.325   14.176   34.196   7.2351   91.672   29.296  117.618   13.162 -25.94609 32.11702 
1 1 1   21    6   17 o  109.316   16.265   32.552   6.5842   34.484   15.046   32.094   7.3226  104.968   29.465  113.663   13.785 -8.695313 32.52974 
1 1 1   21    6   18 o  153.504   17.515   67.348   9.6550   64.261   20.726   68.203   10.911  141.635   32.059  165.372   14.118 -23.73753 35.02948 
1 1 1   21    6   19 o  117.469   16.375   34.383   7.6012   48.601   16.102   30.306   8.6223  126.441   27.989  108.496   17.005 17.94521 32.74978 
1 1 1   21    6   20 o   97.528   16.115   20.176   6.3486   45.860   14.055   13.592   7.1160  125.252   24.888   69.805   20.478 55.44689 32.22966 
1 1 1   21    6   21 f  118.054   13.313   37.834   7.0247   34.953   10.681   40.031   9.3255  111.508   21.272  124.601   16.014 -13.09317 26.62588 
1 1 1   21    6   22 o  122.012   13.753   40.984   7.5068   39.906   11.597   41.762   9.8484  117.910   21.850  126.115   16.709 -8.205353 27.50668 
1 1 1   21    6   23 o  150.851   19.037   70.551   11.545   71.487   21.670   70.180   13.643  140.357   33.501  161.344   18.093 -20.98700 38.07402 
1 1 1   21    6   24 o  135.301   17.572   48.932   11.111   0.0000   0.0000   48.932   11.111  ?   ?   135.301   17.572      ?      ? 
1 1 1   21    6   25 o   57.515   13.864   9.2469   4.5816   4.7413   8.4153   11.145   5.4620   51.414   21.331   63.616   17.716 -12.20237 27.72831 
1 1 1   21    6   26 o   59.466   14.431   7.2043   4.6158   17.056   8.8173   3.4855   5.4173   75.307   22.966   43.625   17.480 31.68201 28.86139 
1 1 1   21    6   27 o   91.774   14.124   23.883   5.6091   24.535   10.061   23.588   6.7566   88.583   23.796   94.965   15.224 -6.381119 28.24880 
1 1 1   21    6   28 o   72.884   13.891   18.696   5.7327   1.7345   12.514   23.201   6.4493   51.836   23.579   93.933   14.691 -42.09774 27.78135 
1 1 1   21    6   29 o   45.509   13.569   3.4991   4.0109   4.8449   9.5710   3.2124   4.4175   51.035   22.020   39.983   15.862 11.05226 27.13825 
1 1 1   21    6   30 o   43.229   12.545   3.2808   4.3934 -12.9904   10.764   6.5330   4.8125   37.539   18.366   48.919   17.094 -11.38041 25.09030 
1 1 1   21    6   31 o   56.017   13.469   9.5817   4.4855   5.0551   7.5094   12.093   5.5928   48.094   20.068   63.939   17.970 -15.84486 26.93770 
1 1 1   21    6   32 o   39.949   11.749   2.4894   3.8013  -2.3097   6.6186   4.8517   4.6435   36.012   16.661   43.886   16.569 -7.873280 23.49763 
1 1 1   21    6   33 o   51.406   13.329   7.2795   4.1463   9.6513   6.5155   5.6652   5.3752   56.230   19.871   46.582   17.769 9.647488 26.65725 
1 1 1   21    6   34 o   53.251   13.207   8.4215   3.9843   8.1494   6.7932   8.5642   4.9193   52.564   19.994   53.937   17.260 -1.373386 26.41321 
1 1 1   21    6   35 o   61.210   13.120   12.448   4.4320   7.0783   7.2913   15.595   5.5814   49.823   20.168   72.597   16.786 -22.77445 26.23926 
1 1 1   21    6   36 o   63.410   11.558   9.6896   4.1541   24.183   6.8098   1.1000   5.2425   90.515   16.714   36.304   15.969 54.21147 23.11576 
1 1 1   21    7    0 o  284.580   11.515  198.025   21.497  198.025   21.497  198.025   21.497  284.580   16.285  284.580   16.285 -0.000000 0.000000 
1 1 1   21    7    1 o  149.737   7.8260   54.198   5.4755   52.915   7.7357   55.486   7.7514  147.906   11.191  151.569   10.943 -3.663544 15.65198 
1 1 1   21    7    2 o  169.644   8.1288   69.768   6.4415   72.287   9.1131   67.253   9.1062  172.816   11.283  166.471   11.705 6.345291 16.25768 
1 1 1   21    7    3 o  203.230   9.7618  100.779   9.2159  110.266   14.001   93.527   12.242  211.307   14.178  195.153   13.422 16.15443 19.52350 
1 1 1   21    7    4 o  201.215   11.286  101.995   9.9725   99.614   17.132  103.215   12.265  196.983   18.609  205.447   12.774 -8.464081 22.57125 
1 1 1   21    7    5 o  185.524   10.186   85.185   8.8260   81.141   12.347   89.411   12.621  180.876   14.607  190.172   14.200 -9.295654 20.37153 
1 1 1   21    7    6 o  185.402   9.9442   84.972   8.6153   83.530   12.191   86.410   12.177  183.734   14.197  187.070   13.928 -3.335815 19.88831 
1 1 1   21    7    7 o  115.738   12.064   33.770   5.2592   33.303   5.9779   35.371   11.063  117.317   10.903  114.159   21.525 3.157372 24.12859 
1 1 1   21    7    8 o  112.299   14.579   36.611   6.9650   44.608   8.8739   23.780   11.240  134.107   14.159   90.491   25.491 43.61555 29.15882 
1 1 1   21    7    9 o  206.566   12.426  109.864   11.837  130.065   16.875   90.291   16.610  227.011   15.906  186.122   19.095 40.88887 24.85187 
1 1 1   21    7   10 o  120.487   9.1675   33.115   4.8216   28.806   5.7263   43.613   8.9375  108.800   11.262  132.174   14.469 -23.37437 18.33491 
1 1 1   21    7   11 f  146.036   9.4067   49.772   5.9334   45.286   7.0222   60.969   11.093  136.477   11.010  155.595   15.255 -19.11853 18.81333 
1 1 1   21    7   12 o   97.930   10.675   22.492   4.6683   18.855   5.6703   30.144   8.2243   87.004   13.945  108.857   16.166 -21.85364 21.34963 
1 1 1   21    7   13 o  105.718   12.290   29.651   5.6644   26.694   9.0979   31.522   7.2385   98.857   20.370  112.579   13.758 -13.72214 24.58038 
1 1 1   21    7   14 o   97.443   12.120   23.450   5.2855   31.335   8.6640   18.776   6.6706  110.711   16.745   84.176   17.526 26.53486 24.23961 
1 1 1   21    7   15 o   66.457   15.416   11.980   5.2214   10.655   10.278   12.441   6.0618   64.948   24.620   67.965   18.561 -3.016960 30.83241 
1 1 1   21    7   16 o   75.620   14.005   18.053   5.5882   3.4029   11.339   22.753   6.4224   55.814   24.025   95.427   14.401 -39.61232 28.01038 
1 1 1   21    7   17 o   50.549   13.493   4.8562   4.2284   8.7553   7.1966   2.8005   5.2255   58.646   20.867   42.451   17.112 16.19547 26.98605 
1 1 1   21    7   18 o   45.621   13.309   3.2097   4.3641  -1.8321   9.0593   4.7332   4.9801   44.959   20.295   46.283   17.222 -1.323776 26.61793 
1 1 1   21    7   19 o  148.724   16.831   62.832   9.0121   62.215   19.418   63.001   10.174  138.849   30.737  158.600   13.726 -19.75053 33.66232 
1 1 1   21    7   20 o  103.769   14.570   27.367   7.0658   0.0000   0.0000   27.367   7.0658  ?   ?   103.769   14.570      ?      ? 
1 1 1   21    7   21 o  151.345   17.000   65.750   9.5895   69.477   19.981   64.635   10.931  143.944   30.641  158.747   14.733 -14.80351 33.99956 
1 1 1   21    7   22 o   51.486   15.398   0.5127   4.6893   15.207   12.370  -1.9534   5.0676   70.002   26.895   32.969   15.000 37.03352 30.79539 
1 1 1   21    7   23 o   65.395   15.997   12.962   5.8007   5.1704   13.901   14.604   6.3829   58.735   25.912   72.055   18.768 -13.32056 31.99451 
1 1 1   21    7   24 o   84.733   17.392   23.093   6.8934   18.479   15.322   24.264   7.7186   75.293   29.645   94.173   18.196 -18.88017 34.78435 
1 1 1   21    7   25 o  140.178   17.254   50.621   9.7940   78.898   20.129   41.851   11.210  156.694   28.539  123.661   19.398 33.03256 34.50714 
1 1 1   21    7   26 o   59.998   14.472   8.1832   5.0750   17.624   8.4601   2.8760   6.3430   76.005   22.338   43.990   18.407 32.01467 28.94471 
1 1 1   21    7   27 o   80.620   15.959   16.767   5.9743   32.932   11.373   10.606   7.0211  101.313   24.326   59.927   20.664 41.38624 31.91774 
1 1 1   21    7   28 o   53.586   14.332   7.8243   4.5676   6.4868   9.5992   8.2158   5.1932   53.300   22.492   53.872   17.771 -0.5718307 28.66496 
1 1 1   21    7   29 o   66.672   15.689   13.743   5.4148   15.806   9.9563   12.876   6.4525   68.100   24.511   65.244   19.590 2.855927 31.37758 
1 1 1   21    7   30 o   67.884   17.107   16.497   7.1164   18.702   8.4533   11.132   13.185   75.620   22.358   60.147   25.899 15.47343 34.21453 
1 1 1   21    7   31 o   75.486   17.756   18.851   6.9560   14.662   8.4196   27.856   12.346   66.095   22.636   84.878   27.362 -18.78279 35.51216 
1 1 1   21    7   32 o  119.729   12.903   41.354   6.8235   53.622   9.9773   30.574   9.3527  140.274   15.219   99.184   20.839 41.09023 25.80510 
1 1 1   21    7   33 o   77.918   14.837   19.885   5.2404   18.643   10.361   20.311   6.0746   70.925   25.059   84.911   15.892 -13.98581 29.67337 
1 1 1   21    7   34 o   45.223   12.625   4.3216   3.8304   8.8282   6.5414   1.9700   4.7253   53.400   19.765   37.046   15.715 16.35419 25.25045 
1 1 1   21    7   35 o   46.849   12.667   6.2667   4.0698   2.4949   6.8517   8.3229   5.0590   41.575   18.272   52.123   17.548 -10.54790 25.33377 
1 1 1   21    8    0 o   94.441   8.8826   22.373   5.2701   22.373   5.2701   22.373   5.2701   94.441   12.562   94.441   12.562 -0.000000 0.000000 
1 1 1   21    8    1 o  134.968   8.7054   44.527   5.4902   43.464   7.7400   45.603   7.7889  133.292   12.425  136.644   12.197 -3.352493 17.41086 
1 1 1   21    8    2 o   60.832   10.627   9.6589   3.0151   10.769   4.1191   8.3771   4.4254   64.868   13.998   56.797   15.993 8.070839 21.25343 
1 1 1   21    8    3 o   39.996   10.127   3.1597   2.5587   5.4649   3.5751   0.7389   3.6637   46.771   14.685   33.221   13.950 13.55082 20.25488 
1 1 1   21    8    4 o   56.866   10.361   8.4094   2.7714   9.0208   3.7285   7.6545   4.1428   59.323   13.721   54.410   15.527 4.913132 20.72137 
1 1 1   21    8    5 o  101.468   10.755   27.255   4.4377   29.163   5.3640   23.117   7.8999  109.823   10.451   93.112   18.802 16.71078 21.51089 
1 1 1   21    8    6 o  229.718   13.763  140.201   14.265  147.461   18.375  129.188   22.630  241.042   16.311  218.394   22.172 22.64893 27.52553 
1 1 1   21    8    7 o  120.194   8.1777   35.017   4.5776   38.111   6.8299   32.494   6.1679  124.923   11.698  115.464   11.430 9.459030 16.35538 
1 1 1   21    8    8 o  125.864   9.2748   38.361   5.3086   42.590   8.7293   35.878   6.6873  130.612   14.301  121.116   11.814 9.495491 18.54953 
1 1 1   21    8    9 o   64.770   10.638   11.557   3.1255   7.9739   5.4436   13.319   3.8174   55.554   18.188   73.987   11.040 -18.43350 21.27620 
1 1 1   21    8   10 o  104.190   10.561   26.959   5.1029   30.025   7.8324   24.699   6.7263  109.057   15.367   99.323   14.491 9.733841 21.12199 
1 1 1   21    8   11 o  231.158   13.198  135.490   14.027  116.824   17.978  164.536   22.426  212.089   18.138  250.227   19.177 -38.13727 26.39595 
1 1 1   21    8   12 o  169.111   13.183   74.555   10.366   65.782   14.459   83.832   14.869  157.964   19.586  180.259   17.650 -22.29427 26.36523 
1 1 1   21    8   13 o   89.113   16.647   22.404   6.8803   24.204   11.245   21.326   8.6988   90.651   25.481   87.574   21.429 3.077530 33.29404 
1 1 1   21    8   14 o   83.829   14.648   19.353   5.7020   18.286   7.8523   20.544   8.2934   81.399   20.618   86.258   20.812 -4.858727 29.29591 
1 1 1   21    8   15 o   93.501   12.471   22.614   5.2093   24.196   8.3911   21.622   6.6448   94.458   19.648   92.544   15.364 1.914101 24.94172 
1 1 1   21    8   16 o   91.102   14.136   22.698   5.8563   25.226   8.4804   20.394   8.0971   96.384   19.496   85.819   20.474 10.56436 28.27192 
1 1 1   21    8   17 o   85.272   14.736   20.386   5.7904   20.226   8.7982   20.508   7.6907   84.127   22.094   86.417   19.505 -2.290268 29.47179 
1 1 1   21    8   18 o   77.486   14.138   15.689   5.0034   21.802   8.5149   12.465   6.1836   87.752   21.036   67.221   18.896 20.53151 28.27681 
1 1 1   21    8   19 o   98.939   13.776   29.219   5.9407   19.003   9.6200   35.516   7.5529   79.236   23.949  118.642   13.622 -39.40602 27.55222 
1 1 1   21    8   20 f  104.009   12.753   29.139   5.7755   29.952   9.6689   28.689   7.2014  102.271   20.934  105.747   14.571 -3.476837 25.50629 
1 1 1   21    8   21 o  131.323   15.349   47.287   7.8125   53.677   15.906   45.256   8.9688  129.874   27.083  132.771   14.454 -2.897110 30.69877 
1 1 1   21    8   22 o   73.900   14.422   17.945   5.4908   4.9528   12.623   20.977   6.0979   57.241   24.988   90.559   14.408 -33.31838 28.84387 
1 1 1   21    8   23 o   75.253   16.938   15.366   5.9497   21.932   12.283   13.353   6.8008   81.996   27.344   68.511   19.997 13.48525 33.87562 
1 1 1   21    8   24 o   48.952   15.248   2.5723   5.3849   1.3919   13.473   2.7967   5.8745   54.699   24.716   43.204   17.865 11.49491 30.49637 
1 1 1   21    8   25 o   86.461   16.547   20.377   6.4428   0.0000   0.0000   20.377   6.4428  ?   ?    86.461   16.547      ?      ? 
1 1 1   21    8   26 o   55.640   19.330   8.7994   6.1496   0.0000   0.0000   8.7994   6.1496  ?   ?    55.640   19.330      ?      ? 
1 1 1   21    8   27 o   68.061   21.711   14.564   7.7885   0.0000   0.0000   14.564   7.7885  ?   ?    68.061   21.711      ?      ? 
1 1 1   21    8   28 o  109.545   15.270   37.526   7.5527   44.409   10.263   29.395   11.154  126.144   17.409   92.947   25.093 33.19667 30.54050 
1 1 1   21    8   29 o   66.818   22.401   14.657   8.2434   14.657   8.2434   0.0000   0.0000   66.818   22.401  ?   ?       ?      ? 
1 1 1   21    8   30 o   50.962   13.562   7.3040   4.2766   6.1308   7.7884   7.8104   5.1171   49.898   20.596   52.027   17.648 -2.128922 27.12312 
1 1 1   21    8   31 o   72.809   14.350   16.965   4.9448   15.680   8.9221   17.534   5.9407   67.463   23.292   78.156   16.767 -10.69295 28.69927 
1 1 1   21    8   32 o   79.418   13.887   17.634   4.6805   24.514   9.0879   15.151   5.4604   86.239   22.361   72.597   16.472 13.64256 27.77312 
1 1 1   21    8   33 o   71.439   13.762   15.426   4.4767   18.394   8.0098   14.078   5.3987   73.821   21.746   69.058   16.872 4.762924 27.52373 
1 1 1   21    8   34 o   53.704   13.516   8.4019   4.0238   12.116   7.2130   6.7240   4.8482   59.533   20.921   47.875   17.117 11.65751 27.03108 
1 1 1   21    9    0 o  109.481   11.589   30.929   7.8318   30.929   7.8318   30.929   7.8318  109.481   16.389  109.481   16.389 -0.000000 0.000000 
1 1 1   21    9    1 o  226.573   19.615  147.466   19.693  139.986   24.225  162.039   33.815  225.593   22.977  227.553   31.797 -1.959991 39.23034 
1 1 1   21    9    2 f  179.546   16.938   92.950   12.548  100.484   15.521   78.734   21.320  198.224   16.754  160.868   29.443 37.35637 33.87603 
1 1 1   21    9    3 o  150.891   10.965   57.542   7.6288   69.498   11.018   46.531   10.573  166.930   14.123  134.852   16.777 32.07790 21.92975 
1 1 1   21    9    4 o  168.401   14.256   74.809   9.5404   74.454   11.000   75.887   19.168  173.164   13.592  163.638   25.064 9.525269 28.51215 
1 1 1   21    9    5 o  198.003   15.222  101.511   12.246   96.862   14.129  115.546   24.548  195.821   15.439  200.184   26.239 -4.362274 30.44423 
1 1 1   21    9    6 o   80.824   9.3452   16.649   3.3574   12.495   4.7675   20.736   4.7288   69.315   15.141   92.334   10.958 -23.01882 18.69045 
1 1 1   21    9    7 o  135.283   8.5261   44.746   5.3701   50.373   7.8020   39.680   7.4028  143.565   11.628  127.001   12.472 16.56404 17.05212 
1 1 1   21    9    8 o  103.802   8.5745   26.108   4.1346   29.921   6.2540   23.147   5.5106  110.458   12.115   97.145   12.138 13.31322 17.14904 
1 1 1   21    9    9 o  100.960   8.4866   23.357   3.8718   32.461   6.5450   18.455   4.8023  115.054   12.172   86.866   11.829 28.18774 16.97316 
1 1 1   21    9   10 o  118.078   12.161   35.877   6.6439   36.658   8.8823   34.886   10.010  120.369   15.789  115.787   18.499 4.581947 24.32125 
1 1 1   21    9   11 o   52.701   13.078   6.8840   3.8983   7.6505   4.6937   5.1798   6.9991   54.340   16.788   51.063   20.058 3.277596 26.15668 
1 1 1   21    9   12 o  115.312   11.171   33.454   5.9435   35.117   9.2417   32.282   7.7614  117.102   16.887  113.521   14.629 3.580414 22.34220 
1 1 1   21    9   13 o   83.931   14.715   19.454   5.7300   18.194   7.7683   20.957   8.4862   81.096   20.489   86.766   21.125 -5.669937 29.42930 
1 1 1   21    9   14 o   82.990   14.780   19.122   5.7256   17.223   7.7899   21.354   8.4439   78.472   20.876   87.507   20.929 -9.034988 29.56070 
1 1 1   21    9   15 o   55.575   14.823   7.3247   5.2032   6.9355   6.8292   7.8632   8.0335   53.956   20.150   57.193   21.745 -3.236958 29.64614 
1 1 1   21    9   16 o   63.236   14.130   10.537   5.3375   17.365   7.2589   2.4985   7.8754   78.932   19.731   47.540   20.231 31.39198 28.25970 
1 1 1   21    9   17 f  106.552   13.361   33.884   5.9912   20.104   9.5099   42.953   7.7148   81.866   23.576  131.238   12.578 -49.37186 26.72138 
1 1 1   21    9   18 o   46.072   13.100   3.7832   4.2481   5.5656   6.7345   2.6052   5.4747   50.187   19.688   41.957   17.288 8.230011 26.20066 
1 1 1   21    9   19 o  148.133   11.691   58.094   7.8683   56.579   12.499   59.088   10.127  144.365   18.526  151.901   14.264 -7.535400 23.38132 
1 1 1   21    9   20 o  105.513   13.337   31.973   6.0161   25.405   9.8062   35.936   7.6183   92.110   22.882  118.915   13.708 -26.80453 26.67411 
1 1 1   21    9   21 o  192.941   13.647  102.518   11.866   95.175   18.840  107.347   15.277  182.974   22.032  202.907   16.110 -19.93344 27.29402 
1 1 1   21    9   22 o  101.958   13.367   31.916   5.8506   16.577   9.2465   42.157   7.5554   74.025   23.661  129.892   12.446 -55.86720 26.73454 
1 1 1   21    9   23 o  165.724   12.730   74.441   9.8004   67.236   13.989   81.385   13.734  156.354   19.144  175.094   16.783 -18.74004 25.45969 
1 1 1   21    9   24 o   91.485   19.218   23.995   7.9556   0.0000   0.0000   23.995   7.9556  ?   ?    91.485   19.218      ?      ? 
1 1 1   21    9   25 o  165.826   15.363   73.284   11.906   0.0000   0.0000   73.284   11.906  ?   ?   165.826   15.363      ?      ? 
1 1 1   21    9   26 o  101.244   18.478   29.420   8.4211   0.0000   0.0000   29.420   8.4211  ?   ?   101.244   18.478      ?      ? 
1 1 1   21    9   27 o   49.130   15.594  -1.2985   4.5052   18.087   14.097  -3.5036   4.7545   69.036   28.009   29.225   13.719 39.81069 31.18777 
1 1 1   21    9   28 o   45.218   15.250  -5.7736   9.0899 -15.3789   15.190  -0.4148   11.346   43.400   21.352   47.037   21.780 -3.636711 30.50030 
1 1 1   21    9   29 o   59.612   17.843   10.351   7.2144   14.651   17.658   9.4900   7.9041   63.346   28.489   55.878   21.492 7.468502 35.68649 
1 1 1   21    9   30 o   55.325   17.162   7.3478   7.3965   11.361   15.916   6.2423   8.3532   60.169   27.055   50.481   21.123 9.687195 34.32437 
1 1 1   21    9   31 o   62.003   16.558   13.120   6.5339   13.824   9.7963   12.556   8.7694   62.871   23.987   61.134   22.833 1.736160 33.11687 
1 1 1   21    9   32 o   61.897   12.872   8.9425   5.5270   24.619   7.9402  -5.7932   7.6981   88.972   19.623   34.822   16.664 54.14944 25.74397 
1 1 1   21    9   33 o   72.584   13.698   17.008   6.2485   32.344   8.7514   1.0591   8.9245  102.138   19.034   43.030   19.703 59.10823 27.39509 
1 1 1   21   10    0 o   89.758   10.033   20.727   5.5070   20.727   5.5070   20.727   5.5070   89.758   14.189   89.758   14.189 -0.000000 0.000000 
1 1 1   21   10    1 o  109.920   8.5632   29.657   4.3896   31.729   6.1994   27.574   6.2163  113.971   11.639  105.870   12.564 8.101616 17.12638 
1 1 1   21   10    2 o  136.018   10.183   46.802   6.2273   43.750   10.065   48.695   7.9265  131.047   16.434  140.990   12.030 -9.942291 20.36667 
1 1 1   21   10    3 o   88.258   11.031   20.219   4.3689   15.758   6.2323   24.529   6.1262   76.894   17.708   99.623   13.158 -22.72908 22.06155 
1 1 1   21   10    4 o  120.831   10.838   36.874   6.0985   35.113   8.8441   38.471   8.4207  117.627   16.088  124.034   14.527 -6.406288 21.67589 
1 1 1   21   10    5 f   66.091   11.037   11.044   3.2041   12.631   5.5915   10.269   3.9097   68.882   17.372   63.300   13.620 5.582413 22.07447 
1 1 1   21   10    6 o   80.317   10.349   16.308   3.7623   16.779   5.7617   15.958   4.9675   80.297   15.916   80.336   13.231 -0.3948975E-01 20.69716 
1 1 1   21   10    7 o  116.120   9.3114   32.922   5.0196   37.049   7.6554   29.809   6.6482  122.318   13.392  109.923   12.941 12.39450 18.62286 
1 1 1   21   10    8 o  113.639   17.705   37.770   9.1535   32.972   13.446   41.914   12.496  104.557   27.243  122.721   22.621 -18.16441 35.41011 
1 1 1   21   10    9 o  101.576   15.825   27.874   6.8643   26.044   8.2323   32.048   12.435   98.856   18.499  104.295   25.682 -5.439629 31.65050 
1 1 1   21   10   10 o  129.988   19.548   50.769   11.506   48.460   15.955   53.272   16.609  126.739   27.709  133.238   27.582 -6.499252 39.09653 
1 1 1   21   10   11 o  137.549   28.776   58.168   17.904   58.168   17.904   0.0000   0.0000  137.549   28.776  ?   ?       ?      ? 
1 1 1   21   10   12 o  104.642   18.738   29.449   8.8271   29.449   8.8271   0.0000   0.0000  104.642   18.738  ?   ?       ?      ? 
1 1 1   21   10   13 o   43.190   13.459   0.0047   5.0323  -0.7550   6.2048   1.4649   8.6021   38.699   17.180   47.682   20.724 -8.983467 26.91874 
1 1 1   21   10   14 f   60.786   15.219   5.1205   5.5827  -1.1996   6.6198   20.685   10.389   39.137   17.534   82.436   24.881 -43.29912 30.43872 
1 1 1   21   10   15 o   71.938   16.682   14.932   6.2085   13.746   7.5863   17.339   10.804   69.023   21.346   74.852   25.642 -5.828087 33.36416 
1 1 1   21   10   16 o   65.666   16.517   11.480   6.0215   8.9880   7.2660   16.945   10.759   57.775   20.918   73.557   25.567 -15.78192 33.03423 
1 1 1   21   10   17 o   55.097   15.536   7.2103   5.9676   8.9504   7.0958   3.0056   11.030   57.456   20.691   52.739   23.181 4.716736 31.07187 
1 1 1   21   10   18 o   46.860   14.324   1.3212   5.4650  -1.0503   6.6993   6.0383   9.4484   39.184   17.591   54.536   22.612 -15.35199 28.64883 
1 1 1   21   10   19 o   91.111   16.782   23.281   6.8706   19.270   8.3228   31.864   12.174   81.204   21.567  101.017   25.719 -19.81232 33.56430 
1 1 1   21   10   20 o   65.122   16.317   11.711   5.8652   10.847   7.0133   13.720   10.697   62.133   20.659   68.112   25.262 -5.978706 32.63377 
1 1 1   21   10   21 o   82.519   16.416   21.101   6.4282   22.046   7.6775   18.886   11.756   88.712   19.084   76.326   26.715 12.38629 32.83149 
1 1 1   21   10   22 o   50.934   15.204   4.5458   6.1039   3.4487   7.9126   6.1580   9.5924   47.772   20.303   54.097   22.636 -6.325550 30.40715 
1 1 1   21   10   23 o   56.678   22.823   8.5664   9.2854   8.5664   9.2854   0.0000   0.0000   56.678   22.823  ?   ?       ?      ? 
1 1 1   21   10   25 o   61.177   25.485   11.508   12.082   11.508   12.082   0.0000   0.0000   61.177   25.485  ?   ?       ?      ? 
1 1 1   21   10   26 o   96.717   26.336   33.136   12.225   33.136   12.225   0.0000   0.0000   96.717   26.336  ?   ?       ?      ? 
1 1 1   21   10   27 o   83.702   16.827   22.327   6.6623   18.020   8.2232   30.555   11.366   74.176   22.080   93.229   25.397 -19.05258 33.65326 
1 1 1   21   10   28 o   86.736   16.154   26.626   7.0596   32.550   9.1697   18.005   11.062  104.042   19.577   69.431   25.701 34.61043 32.30799 
1 1 1   21   10   29 o   54.071   16.722   7.0702   7.3173   7.5686   14.949   6.9132   8.3913   56.599   25.756   51.542   21.335 5.056740 33.44490 
1 1 1   21   10   30 o   80.789   20.043   28.131   9.5379   26.450   17.508   28.841   11.374   73.250   30.610   88.329   25.884 -15.07968 40.08615 
1 1 1   21   10   31 o   78.617   17.392   21.572   6.0161   28.266   16.864   20.596   6.4399   73.524   30.324   83.710   17.040 -10.18600 34.78349 
1 1 1   21   10   32 o   58.388   17.376   8.5017   5.1232   26.563   17.816   6.8737   5.3492   68.529   29.805   48.247   17.870 20.28205 34.75117 
1 1 1   21   11    0 o  106.200   8.9136   28.110   6.0242   28.110   6.0242   28.110   6.0242  106.200   12.606  106.200   12.606 -0.000000 0.000000 
1 1 1   21   11    1 o  123.511   9.2261   37.167   5.2540   34.551   6.8048   41.030   8.2677  118.594   12.278  128.428   13.775 -9.834381 18.45210 
1 1 1   21   11    2 o  140.975   10.007   49.813   6.4497   50.696   8.3661   48.519   10.126  143.530   12.472  138.420   15.654 5.110306 20.01462 
1 1 1   21   11    3 o  167.088   10.807   69.565   8.3255   65.141   10.794   76.062   13.080  161.380   14.312  172.796   16.197 -11.41624 21.61450 
1 1 1   21   11    4 o  126.062   9.5885   38.941   5.5886   35.865   7.2894   43.328   8.7044  120.439   12.950  131.684   14.144 -11.24452 19.17702 
1 1 1   21   11    5 o   86.495   8.1681   18.289   3.2831   18.384   4.9110   18.213   4.4147   86.491   12.149   86.498   10.921 -0.6477356E-02 16.33617 
1 1 1   21   11    6 o  149.021   8.0100   54.287   5.5018   66.234   7.9700   43.411   7.6043  165.250   10.320  132.791   12.253 32.45830 16.01993 
1 1 1   21   11    7 o  163.592   10.706   68.127   7.9426   69.597   10.182   65.841   12.694  167.508   13.007  159.675   17.010 7.833023 21.41297 
1 1 1   21   11    8 o  123.961   10.381   38.009   5.9373   34.118   7.6856   43.768   9.3504  116.605   14.103  131.318   15.236 -14.71286 20.76123 
1 1 1   21   11    9 o  109.436   11.721   30.847   5.9848   33.374   8.6866   28.563   8.2572  113.848   16.326  105.024   16.823 8.823967 23.44253 
1 1 1   21   11   10 o  103.619   15.904   31.395   7.2655   27.764   12.445   33.273   8.9489   94.165   26.925  113.072   16.934 -18.90701 31.80803 
1 1 1   21   11   11 o   48.480   14.132   3.1917   4.7940   7.0957   8.7998   1.5439   5.7169   56.126   22.349   40.833   17.301 15.29278 28.26340 
1 1 1   21   11   12 o   58.395   13.852   9.0366   4.6949   5.0175   6.7345   12.837   6.5485   49.309   19.578   67.480   19.602 -18.17037 27.70403 
1 1 1   21   11   13 o   72.263   15.713   15.505   5.7714   15.841   7.3722   14.974   9.2757   74.056   20.568   70.470   23.761 3.585754 31.42648 
1 1 1   21   11   14 o  148.642   12.461   59.293   8.6194   54.511   12.302   63.905   12.081  141.686   18.578  155.598   16.613 -13.91179 24.92223 
1 1 1   21   11   15 o   94.588   13.527   25.954   5.8473   16.142   8.5286   34.657   8.0323   73.247   22.630  115.928   14.825 -42.68128 27.05381 
1 1 1   21   11   16 o   83.665   13.157   19.711   5.4352   9.4198   7.6053   30.454   7.7705   58.871   21.388  108.459   15.330 -49.58742 26.31430 
1 1 1   21   11   17 o   86.759   15.136   25.334   6.7755   31.908   8.0429   9.2653   12.575  111.070   15.494   62.448   26.005 48.62243 30.27137 
1 1 1   21   11   18 o   49.199   14.446   3.0537   4.9104   1.1635   5.7301   8.2794   9.5277   40.017   17.148   58.382   23.253 -18.36471 28.89224 
1 1 1   21   11   19 o   52.279   14.866   6.0254   5.2578   6.8595   6.1082   3.6396   10.330   52.065   19.129   52.493   22.763 -0.4282837 29.73283 
1 1 1   21   11   20 o   45.861   13.215   3.7012   4.6411  -0.3658   7.4165   6.3188   5.9500   41.507   18.580   50.215   18.798 -8.708199 26.43050 
1 1 1   21   11   21 o   83.630   14.833   22.493   6.1949   14.151   10.099   27.526   7.8443   66.392   24.561  100.868   16.640 -34.47630 29.66673 
1 1 1   21   11   22 o   57.173   13.617   6.2268   5.7853  -8.3364   8.4626   19.005   7.9270   35.717   17.191   78.629   21.122 -42.91147 27.23379 
1 1 1   21   11   23 o   70.726   15.743   15.618   5.7561   13.165   7.5016   19.129   8.9759   64.960   21.355   76.491   23.137 -11.53116 31.48566 
1 1 1   21   11   24 o   47.960   14.753   3.7215   6.0784  -0.4826   11.103   5.5208   7.2636   47.011   21.690   48.910   20.004 -1.898449 29.50634 
1 1 1   21   11   25 o   37.351   12.731  -3.5050   4.4562  -3.3785   11.845  -3.5259   4.8095   45.405   21.419   29.296   13.766 16.10952 25.46156 
1 1 1   21   11   26 o   42.596   12.716   3.0840   4.4091 -11.2337   11.168   5.7275   4.7989   38.861   18.947   46.331   16.965 -7.470051 25.43207 
1 1 1   21   11   27 o   97.608   13.524   27.624   5.8670   34.140   9.3322   23.366   7.5444  106.734   19.424   88.483   18.823 18.25074 27.04779 
1 1 1   21   11   28 o   44.888   12.686   2.3819   3.7184   10.583   7.3411  -0.4483   4.3125   57.955   21.019   31.820   14.211 26.13535 25.37279 
1 1 1   21   11   29 o   59.224   14.638   11.791   5.0674   6.5260   11.031   13.200   5.7050   52.376   23.095   66.071   17.991 -13.69514 29.27581 
1 1 1   21   11   30 o   50.520   14.464   7.0126   5.5998   11.103   7.6149   2.1955   8.2634   57.415   21.310   43.624   19.564 13.79069 28.92881 
1 1 1   21   11   31 o   61.445   15.920   13.298   6.2207   8.1354   8.4831   19.304   9.1493   51.450   21.387   71.440   23.589 -19.99019 31.84054 
1 1 1   21   12    0 o   79.485   9.0304   16.259   4.3768   16.259   4.3768   16.259   4.3768   79.485   12.771   79.485   12.771 -0.000000 0.000000 
1 1 1   21   12    1 o   77.685   9.3606   14.622   3.2524   20.093   5.1823   11.067   4.1776   90.109   12.306   65.261   14.108 24.84772 18.72118 
1 1 1   21   12    2 o  105.832   10.288   29.610   4.7170   34.250   6.2102   23.282   7.2519  118.173   11.245   93.490   17.233 24.68367 20.57678 
1 1 1   21   12    3 o  199.844   10.559  101.767   9.7678  118.332   13.956   85.862   13.675  217.050   13.759  182.637   16.021 34.41286 21.11840 
1 1 1   21   12    4 o  157.652   9.2345   62.145   6.6995   75.944   9.6706   49.412   9.2898  175.447   11.794  139.857   14.213 35.59067 18.46905 
1 1 1   21   12    5 o  143.148   9.8692   50.523   6.5225   44.016   8.4648   60.034   10.233  132.259   13.695  154.037   14.215 -21.77829 19.73839 
1 1 1   21   12    6 o   92.780   10.039   20.994   4.2117   18.739   5.2278   25.164   7.1092   86.571   12.921   98.989   15.367 -12.41720 20.07749 
1 1 1   21   12    7 o  172.118   10.756   75.051   8.4811   70.812   10.855   81.695   13.589  167.269   13.885  176.968   16.431 -9.698975 21.51213 
1 1 1   21   12    8 o  142.095   10.887   51.637   7.0884   49.515   9.1049   54.902   11.294  139.641   13.951  144.549   16.719 -4.907700 21.77497 
1 1 1   21   12    9 o   49.631   12.346   5.8653   3.4698   4.5031   4.3643   8.2056   5.7203   44.030   16.170   55.232   18.660 -11.20208 24.69132 
1 1 1   21   12   10 o   66.171   12.441   12.275   4.2059   17.517   5.8403   6.6289   6.0618   80.840   16.025   51.503   19.033 29.33688 24.88108 
1 1 1   21   12   11 o  113.079   16.435   38.943   7.9945   34.555   13.909   41.108   9.7694  101.543   28.268  124.615   16.775 -23.07191 32.87082 
1 1 1   21   12   12 o   92.645   13.644   24.310   5.8384   16.975   8.2745   31.583   8.2389   75.481   22.065  109.809   16.054 -34.32781 27.28759 
1 1 1   21   12   13 o   88.318   13.634   21.984   5.4827   18.860   7.8099   25.019   7.6988   80.886   20.603   95.750   17.862 -14.86411 27.26755 
1 1 1   21   12   14 o  128.702   16.299   48.939   8.9172   51.130   11.044   44.836   15.115  139.254   16.969  118.149   27.832 21.10468 32.59757 
1 1 1   21   12   15 o  132.757   12.232   47.099   7.4267   56.418   10.435   37.534   10.572  148.085   15.078  117.428   19.264 30.65726 24.46328 
1 1 1   21   12   16 o   64.850   13.985   11.878   4.6384   10.510   6.4218   13.370   6.7069   61.233   19.734   68.467   19.823 -7.234241 27.97058 
1 1 1   21   12   17 o   91.337   14.906   26.401   6.4274   16.420   10.679   32.069   8.0482   71.912   25.437  110.762   15.548 -38.84981 29.81256 
1 1 1   21   12   18 o  119.526   20.719   49.957   11.441   49.766   15.293   50.198   17.241  122.173   27.453  116.880   31.040 5.292778 41.43837 
1 1 1   21   12   19 f   77.211   18.477   18.974   7.7698   13.510   9.6730   28.910   13.044   65.166   24.051   89.256   28.055 -24.08966 36.95326 
1 1 1   21   12   20 o   62.633   23.340   12.335   9.1524   12.335   9.1524   0.0000   0.0000   62.633   23.340  ?   ?       ?      ? 
1 1 1   21   12   21 o  124.101   18.095   43.369   10.495   43.369   10.495   0.0000   0.0000  124.101   18.095  ?   ?       ?      ? 
1 1 1   21   12   22 o   79.044   16.841   20.735   6.7187   18.146   8.9950   24.003   10.105   73.852   23.308   84.235   24.315 -10.38395 33.68226 
1 1 1   21   12   23 o   44.715   13.427   2.6506   4.7562   6.9245   7.8803   0.2016   5.9652   51.655   20.946   37.774   16.804 13.88091 26.85353 
1 1 1   21   12   24 o   65.702   16.716   13.687   5.9044   17.951   12.228   12.390   6.7425   68.531   26.627   62.874   20.216 5.657021 33.43211 
1 1 1   21   12   25 o   68.579   16.346   14.857   5.3893   18.566   12.933   14.077   5.9286   68.566   27.160   68.593   18.195 -0.2709961E-01 32.69144 
1 1 1   21   12   26 o   87.249   14.235   30.716   7.2354   2.9641   14.353   40.172   8.3778   52.522   24.382  121.976   14.697 -69.45383 28.46909 
1 1 1   21   12   27 o   47.869   14.188   5.2271   4.5436   4.2466   11.087   5.4251   4.9811   50.284   22.598   45.454   17.161 4.830090 28.37571 
1 1 1   21   12   28 o   48.861   14.409   5.9063   5.6457   8.8659   7.5865   2.2329   8.4519   53.466   20.918   44.257   19.821 9.208832 28.81735 
1 1 1   21   12   29 o   57.294   14.285   10.002   4.4947   14.400   8.0305   7.9953   5.4238   63.477   22.087   51.111   18.123 12.36687 28.57090 
1 1 1   21   13    0 o   59.344   11.498   10.254   3.8992   10.254   3.8992   10.254   3.8992   59.344   16.260   59.344   16.260 -0.000000 0.000000 
1 1 1   21   13    1 f   47.201   10.486   5.9380   2.7494   7.8577   3.4730   2.7151   4.5000   54.652   13.641   39.749   15.930 14.90322 20.97207 
1 1 1   21   13    2 o   84.227   10.053   18.158   3.7577   17.528   4.7717   19.186   6.0970   83.743   12.192   84.712   15.986 -0.9692001 20.10519 
1 1 1   21   13    3 o   83.881   8.5867   17.370   3.3460   19.906   5.0587   15.398   4.4613   89.266   12.126   78.495   12.161 10.77120 17.17341 
1 1 1   21   13    4 o  106.891   9.3594   28.179   4.5804   25.477   5.8193   32.577   7.4257  100.858   12.346  112.924   14.070 -12.06596 18.71878 
1 1 1   21   13    5 o   88.969   10.601   20.425   4.1942   19.573   5.3345   21.804   6.7876   88.096   12.957   89.842   16.783 -1.746529 21.20236 
1 1 1   21   13    6 o  104.823   10.265   27.375   4.9011   24.606   6.1625   32.142   8.0848   98.541   13.381  111.104   15.570 -12.56262 20.53032 
1 1 1   21   13    7 f  143.521   10.468   52.462   6.9056   49.769   8.9108   56.512   10.927  139.987   13.620  147.055   15.899 -7.068100 20.93518 
1 1 1   21   13    8 o  144.241   10.161   52.506   6.6761   49.960   8.4683   56.686   10.852  140.940   12.856  147.543   15.737 -6.602509 20.32124 
1 1 1   21   13    9 o   72.378   11.428   14.401   3.7876   16.235   4.8750   11.609   6.0163   80.350   12.982   64.407   18.811 15.94302 22.85592 
1 1 1   21   13   10 o   96.483   11.997   24.802   5.2654   25.029   7.1437   24.532   7.7912   98.339   15.544   94.627   18.279 3.712875 23.99450 
1 1 1   21   13   11 o   91.576   15.442   22.916   6.0756   28.862   11.254   20.470   7.2179   97.038   24.739   86.113   18.487 10.92520 30.88402 
1 1 1   21   13   12 o  100.990   12.297   27.410   5.6359   24.193   7.9943   30.590   7.9466   93.386   18.964  108.593   15.658 -15.20724 24.59314 
1 1 1   21   13   13 o   75.665   13.680   16.372   4.9294   19.533   6.8755   13.029   7.0711   84.142   18.027   67.189   20.581 16.95326 27.35940 
1 1 1   21   13   14 o   65.211   14.722   11.750   4.9649   15.975   8.1411   9.2474   6.2648   72.809   22.037   57.614   19.527 15.19505 29.44407 
1 1 1   21   13   15 o  138.672   20.645   66.033   12.970   58.800   18.180   73.529   18.508  127.935   30.781  149.410   27.519 -21.47536 41.28904 
1 1 1   21   13   16 o  111.238   15.520   44.714   8.0140   17.311   13.311   60.295   10.037   70.294   27.646  152.181   14.113 -81.88696 31.03951 
1 1 1   21   13   17 o   96.729   17.786   31.144   8.2487   24.770   11.374   38.216   11.980   84.220   26.153  109.237   24.112 -25.01654 35.57188 
1 1 1   21   13   18 f   46.611   18.575   4.9473   6.0831   4.9473   6.0831   0.0000   0.0000   46.611   18.575  ?   ?       ?      ? 
1 1 1   21   13   19 o   50.835   14.455   6.3405   5.1593   5.8358   6.5990   7.1341   8.2748   48.869   19.387   52.801   21.446 -3.932503 28.90988 
1 1 1   21   13   20 o   74.325   23.186   18.384   8.9287   18.384   8.9287   0.0000   0.0000   74.325   23.186  ?   ?       ?      ? 
1 1 1   21   13   21 o   65.065   16.809   14.374   6.5995   14.669   8.2704   13.858   10.950   66.685   22.437   63.445   25.036 3.239609 33.61838 
1 1 1   21   13   22 o   67.835   15.750   15.861   6.5573   21.982   8.4662   6.6831   10.367   82.718   21.648   52.953   22.882 29.76451 31.49999 
1 1 1   21   13   23 f   41.983   13.061   0.8826   4.7632   5.4323   8.0506  -1.5678   5.9082   48.962   20.626   35.004   16.029 13.95801 26.12218 
1 1 1   21   13   24 o   59.584   16.534   5.7175   4.9647   26.197   13.440   2.4813   5.3426   79.324   28.485   39.843   16.795 39.48118 33.06752 
1 1 1   21   13   25 o   27.146   13.057  -5.5072   4.8633   0.0000   0.0000  -5.5072   4.8633  ?   ?    27.146   13.057      ?      ? 
1 1 1   21   13   26 o   62.258   12.701   13.687   5.6509 -11.8126   11.867   21.165   6.4263   39.067   19.150   85.448   16.691 -46.38151 25.40261 
1 1 1   21   13   27 o   77.558   14.433   19.413   5.1794   21.411   8.5096   18.238   6.5279   78.411   22.211   76.706   18.438 1.704926 28.86671 
1 1 1   21   13   28 o   60.462   12.739   7.9134   4.3560   23.342   7.7722   0.8477   5.2598   84.994   19.915   35.931   15.891 49.06213 25.47780 
1 1 1   21   14    0 o   89.144   11.740   21.307   6.2127   21.307   6.2127   21.307   6.2127   89.144   16.602   89.144   16.602 -0.000000 0.000000 
1 1 1   21   14    1 o  139.359   10.172   49.629   6.4497   49.980   8.2797   49.088   10.286  141.401   12.529  137.316   16.027 4.085403 20.34347 
1 1 1   21   14    2 o  123.733   7.9905   37.801   4.6195   36.691   6.5032   38.931   6.5631  121.828   11.422  125.638   11.177 -3.810104 15.98101 
1 1 1   21   14    3 o  127.017   8.7603   40.413   5.1742   44.093   7.2453   36.582   7.3917  133.430   11.619  120.605   13.114 12.82471 17.52068 
1 1 1   21   14    4 o  107.895   8.1574   28.885   4.0657   34.286   5.8271   23.762   5.6753  118.249   10.544   97.542   12.450 20.70663 16.31483 
1 1 1   21   14    5 o   60.865   11.736   9.2297   3.3797   6.6620   4.2052   13.914   5.6799   50.372   15.941   71.359   17.227 -20.98753 23.47103 
1 1 1   21   14    6 o   64.274   11.689   11.401   3.4711   12.093   4.3370   10.169   5.7897   67.943   14.119   60.605   18.632 7.337868 23.37789 
1 1 1   21   14    7 o  115.092   11.503   36.533   5.5588   41.264   7.0501   28.759   9.0378  128.937   11.700  101.247   19.810 27.68973 23.00656 
1 1 1   21   14    8 o  154.829   10.252   60.309   7.3014   55.066   9.3855   68.347   11.620  147.267   13.637  162.391   15.311 -15.12396 20.50346 
1 1 1   21   14    9 o  111.419   10.388   31.997   5.2514   31.869   6.6942   32.204   8.4679  112.438   12.739  110.400   16.412 2.038155 20.77595 
1 1 1   21   14   10 f  130.299   14.266   44.492   8.2052   59.467   14.824   37.878   9.8522  142.525   22.254  118.073   17.854 24.45252 28.53123 
1 1 1   21   14   11 o   86.065   17.724   20.694   6.8918   0.0000   0.0000   20.694   6.8918  ?   ?    86.065   17.724      ?      ? 
1 1 1   21   14   12 o  144.025   15.343   59.152   9.8700   69.627   16.979   53.805   12.130  149.433   24.311  138.617   18.724 10.81584 30.68634 
1 1 1   21   14   13 o   51.044   18.818   6.9567   5.9189   0.0000   0.0000   6.9567   5.9189  ?   ?    51.044   18.818      ?      ? 
1 1 1   21   14   14 o   76.319   16.484   18.765   6.8141   11.688   9.4252   26.515   9.8629   61.449   23.508   91.189   23.113 -29.74037 32.96724 
1 1 1   21   14   15 o   56.229   15.478   9.0048   5.8768   7.7667   8.7479   10.023   7.9337   54.388   22.064   58.069   21.712 -3.680386 30.95567 
1 1 1   21   14   16 o  106.653   16.382   37.531   7.7993   41.025   9.7251   31.235   13.056  121.675   17.102   91.631   27.947 30.04445 32.76434 
1 1 1   21   14   17 o   67.013   15.615   13.910   5.6405   10.833   7.3116   18.434   8.8647   59.405   21.044   74.621   23.074 -15.21587 31.22956 
1 1 1   21   14   18 f   50.847   13.762   6.9444   4.5807   8.4310   6.6876   5.6305   6.2871   53.919   19.979   47.775   18.933 6.143257 27.52454 
1 1 1   21   14   19 o   78.054   17.345   19.896   7.0517   13.684   8.8822   30.487   11.597   63.831   23.125   92.277   25.857 -28.44549 34.68918 
1 1 1   21   14   20 o   99.065   15.060   31.202   6.8282   27.284   10.429   34.142   9.0337   88.810   24.384  109.321   17.682 -20.51093 30.11965 
1 1 1   21   14   21 o   72.321   15.548   16.959   5.6200   19.154   9.0085   15.560   7.1910   74.719   23.287   69.922   20.607 4.797546 31.09513 
1 1 1   21   14   22 o   44.290   13.846   1.2410   5.6511  -2.4285   7.4248   6.2934   8.7123   37.758   17.531   50.823   21.436 -13.06509 27.69201 
1 1 1   21   14   23 o   40.053   13.384  -4.3014   6.5303  -1.0219   9.8246  -6.8971   8.7406   43.524   20.194   36.581   17.572 6.943230 26.76867 
1 1 1   21   14   24 o   71.158   19.228   22.151   9.2604   17.695   15.099   24.837   11.725   64.130   27.664   78.186   26.713 -14.05626 38.45565 
1 1 1   21   14   25 o   56.220   15.641   10.178   5.2513   10.173   14.039   10.179   5.6624   55.688   25.190   56.753   18.548 -1.065186 31.28201 
1 1 1   21   14   26 o   41.179   14.042  -5.1347   7.0805   2.0389   13.003  -8.1580   8.4417   48.138   22.626   34.220   16.636 13.91846 28.08365 
1 1 1   21   15    0 o  188.477   10.795   89.592   13.245   89.592   13.245   89.592   13.245  188.477   15.267  188.477   15.267 -0.000000 0.000000 
1 1 1   21   15    1 o  140.589   10.883   51.980   7.0945   44.583   9.8908   59.818   10.182  129.247   16.375  151.930   14.340 -22.68309 21.76582 
1 1 1   21   15    2 o   80.157   9.6595   16.780   3.4491   16.212   5.4072   17.171   4.4785   77.507   15.469   82.807   11.572 -5.300171 19.31906 
1 1 1   21   15    3 o  168.012   8.9027   71.688   6.9736   66.176   9.8356   77.261   9.8890  160.993   13.072  175.032   12.089 -14.03886 17.80538 
1 1 1   21   15    4 o  179.494   9.4826   82.756   7.9494   85.126   11.179   80.331   11.307  182.453   13.110  176.536   13.705 5.917282 18.96521 
1 1 1   21   15    5 o   96.432   11.081   25.575   4.5855   27.562   5.8027   22.271   7.4826  104.557   11.875   88.308   18.712 16.24914 22.16221 
1 1 1   21   15    6 o  110.867   10.169   32.140   5.0485   32.269   6.3409   31.917   8.3437  112.944   12.013  108.789   16.411 4.154579 20.33769 
1 1 1   21   15    7 o  106.231   12.228   31.576   5.7953   35.059   7.8360   27.370   8.6101  115.584   14.506   96.879   19.688 18.70520 24.45502 
1 1 1   21   15    8 o  103.209   11.752   29.130   5.4984   25.066   7.6198   33.546   7.9421   94.028   17.995  112.391   15.120 -18.36279 23.50431 
1 1 1   21   15    9 o   43.712   11.117   4.0258   3.3961   8.2071   4.4388  -1.8767   5.2739   54.213   16.242   33.211   15.184 21.00209 22.23430 
1 1 1   21   15   10 o   44.772   19.679   1.9039   7.9498   0.0000   0.0000   1.9039   7.9498  ?   ?    44.772   19.679      ?      ? 
1 1 1   21   15   11 o   38.632   17.512  -0.9596   6.8270   0.0000   0.0000  -0.9596   6.8270  ?   ?    38.632   17.512      ?      ? 
1 1 1   21   15   12 o   40.745   12.112   1.5414   4.3668   5.6229   5.1997  -8.2263   8.0439   46.897   17.569   34.594   16.678 12.30296 24.22431 
1 1 1   21   15   13 o   33.018   11.060  -4.1830   4.1965  -4.0897   5.0617  -4.3880   7.5052   29.608   13.977   36.429   17.143 -6.820957 22.11923 
1 1 1   21   15   14 o   76.703   15.093   17.375   5.4185   13.906   6.6719   24.096   9.2865   67.296   19.854   86.110   22.739 -18.81431 30.18684 
1 1 1   21   15   15 o   60.289   13.912   11.122   4.4993   11.108   6.1319   11.138   6.6222   60.471   19.262   60.106   20.078 0.3652382 27.82319 
1 1 1   21   15   16 o   60.799   13.916   11.235   4.6562   7.8851   6.4697   14.834   6.7065   52.385   19.603   69.212   19.757 -16.82701 27.83211 
1 1 1   21   15   17 o   92.562   13.707   26.457   5.9547   37.091   8.4364   15.898   8.4062  116.409   15.507   68.714   22.607 47.69471 27.41400 
1 1 1   21   15   18 o   85.042   16.036   24.388   6.4096   25.195   7.9147   22.850   10.926   91.698   19.089   78.386   25.772 13.31246 32.07167 
1 1 1   21   15   19 o   57.942   14.776   9.5475   5.2739   5.0771   6.8895   15.875   8.1963   47.028   19.387   68.856   22.305 -21.82842 29.55275 
1 1 1   21   15   20 o   85.998   16.725   22.489   6.3413   34.094   12.277   18.266   7.4056   96.036   26.492   75.959   20.420 20.07675 33.44905 
1 1 1   21   15   21 o   61.636   16.257   12.119   5.7746   16.821   11.080   10.365   6.7661   66.125   25.443   57.147   20.244 8.977863 32.51379 
1 1 1   21   15   22 o   61.747   15.372   12.772   5.3867   15.495   8.7389   11.103   6.8408   65.363   23.022   58.132   20.377 7.230457 30.74495 
1 1 1   21   15   23 o   61.203   14.365   7.8128   6.3142  -6.7836   8.3654   27.139   9.6259   35.111   16.948   87.296   23.198 -52.18507 28.72927 
1 1 1   21   15   24 o   46.972   15.448   1.9809   7.7967   5.7095   13.237   0.0002   9.6479   51.102   23.614   42.842   19.923 8.259323 30.89572 
1 1 1   21   16    0 o   36.023   12.034   4.7939   3.2415   4.7939   3.2415   4.7939   3.2415   36.023   17.019   36.023   17.019 -0.000000 0.000000 
1 1 1   21   16    1 o   55.125   11.685   8.8295   3.4022   10.951   4.3922   5.6462   5.3796   63.037   15.106   47.213   17.832 15.82401 23.37057 
1 1 1   21   16    2 o   83.633   9.2013   17.825   3.5710   20.614   5.4391   15.712   4.7342   89.288   13.034   77.977   12.991 11.31165 18.40265 
1 1 1   21   16    3 o   51.960   9.9011   6.6677   2.5931   11.556   4.1131   3.4431   3.3406   65.529   13.863   38.392   14.140 27.13740 19.80224 
1 1 1   21   16    4 o   83.158   12.028   17.464   4.0381   24.583   8.1658   15.160   4.6459   90.918   19.781   75.399   13.689 15.51906 24.05519 
1 1 1   21   16    5 o   94.811   14.632   26.573   6.1384   30.372   10.100   24.348   7.7298   98.146   22.500   91.476   18.712 6.669846 29.26410 
1 1 1   21   16    6 o   56.526   13.339   9.9621   4.4982   12.495   5.1972   2.4001   8.9800   66.196   16.778   46.856   20.741 19.33995 26.67719 
1 1 1   21   16    7 o   79.079   15.310   21.425   5.8461   23.480   6.7780   15.456   11.553   91.787   16.403   66.371   25.856 25.41663 30.61945 
1 1 1   21   16    8 o   60.139   13.703   11.160   4.1581   11.873   4.6417   8.2632   9.3557   65.245   15.459   55.032   22.628 10.21378 27.40502 
1 1 1   21   16    9 o   42.247   12.205   3.2478   3.2517   2.8091   3.6590   4.8962   7.0925   37.064   14.520   47.429   19.622 -10.36513 24.41024 
1 1 1   21   16   10 o   53.823   15.159   8.0152   5.7358   9.8169   8.3868   6.4319   7.8619   56.911   22.069   50.736   20.789 6.174927 30.31833 
1 1 1   21   16   11 o   89.611   15.177   26.391   6.2258   22.219   10.972   28.372   7.5608   77.626   25.841  101.595   15.924 -23.96941 30.35374 
1 1 1   21   16   12 o   78.557   13.266   18.567   4.8168   20.213   6.7010   16.808   6.9287   83.268   17.761   73.845   19.709 9.423508 26.53109 
1 1 1   21   16   13 f  105.738   12.185   31.779   5.8431   36.086   8.3837   27.711   8.1480  114.668   15.644   96.808   18.686 17.85983 24.37032 
1 1 1   21   16   14 o   99.379   13.369   29.477   6.0189   34.302   8.3892   24.359   8.6403  111.211   16.141   87.547   21.317 23.66410 26.73836 
1 1 1   21   16   15 o   60.504   14.068   11.175   4.7350   7.8399   6.5095   14.923   6.9000   52.142   19.633   68.867   20.154 -16.72479 28.13669 
1 1 1   21   16   16 o   58.713   14.570   11.311   5.4302   14.484   6.5027   3.9998   9.8703   68.414   19.429   49.013   21.718 19.40112 29.14005 
1 1 1   21   16   17 o   50.507   13.690   7.0986   4.8310   2.1551   7.9175   10.031   6.0976   43.914   19.455   57.100   19.265 -13.18660 27.37958 
1 1 1   21   16   18 o   95.410   17.905   33.127   8.8423   19.259   11.833   50.664   13.307   69.074   26.360  121.745   24.239 -52.67077 35.81044 
1 1 1   21   16   19 o   62.499   14.160   12.660   4.8216   9.2082   6.6940   16.382   6.9508   53.981   19.991   71.018   20.059 -17.03737 28.31954 
1 1 1   21   16   20 o   47.478   13.292   6.2282   4.4267   4.4799   6.2303   8.0106   6.2908   43.949   18.304   51.008   19.279 -7.058987 26.58391 
1 1 1   21   16   21 o   69.394   14.547   16.318   5.0744   15.183   7.2785   17.391   7.0783   66.378   20.969   72.411   20.169 -6.032867 29.09386 
1 1 1   21   17    0 o   35.501   13.826   4.8872   4.7026   4.8872   4.7026   4.8872   4.7026   35.501   19.553   35.501   19.553 -0.000000 0.000000 
1 1 1   21   17    1 o   42.742   16.491   4.3565   4.6653   4.3565   4.6653   0.0000   0.0000   42.742   16.491  ?   ?       ?      ? 
1 1 1   21   17    2 o   70.940   12.540   14.749   4.0916   14.530   5.2791   15.078   6.4749   71.541   16.170   70.340   19.172 1.200348 25.08024 
1 1 1   21   17    3 f   71.955   10.688   17.593   3.6795   23.562   4.4747   5.1290   6.4659   97.151   9.8554   46.758   18.969 50.39328 21.37660 
1 1 1   21   17    4 o  112.611   15.511   34.664   8.1633   34.664   8.1633   0.0000   0.0000  112.611   15.511  ?   ?       ?      ? 
1 1 1   21   17    5 o   39.008   15.327   3.2673   4.0880   3.2673   4.0880   0.0000   0.0000   39.008   15.327  ?   ?       ?      ? 
1 1 1   21   17    6 o   78.603   15.355   17.192   5.4383   17.192   5.4383   0.0000   0.0000   78.603   15.355  ?   ?       ?      ? 
1 1 1   21   17    7 o  102.562   12.376   27.271   5.9320   27.271   5.9320   0.0000   0.0000  102.562   12.376  ?   ?       ?      ? 
1 1 1   21   17    8 o   65.384   14.986   11.933   4.4813   11.933   4.4813   0.0000   0.0000   65.384   14.986  ?   ?       ?      ? 
1 1 1   21   17    9 o   41.772   12.288   3.2619   3.9235   3.9203   4.9538   2.1537   6.4265   42.061   16.762   41.484   17.971 0.5770264 24.57500 
1 1 1   21   17   10 o  105.163   16.050   35.634   7.5000   36.161   12.578   35.343   9.3428   99.628   26.537  110.699   18.059 -11.07088 32.09921 
1 1 1   21   17   11 o   71.864   15.587   15.799   5.6924   24.183   9.4656   11.049   7.1247   84.625   23.228   59.103   20.791 25.52201 31.17385 
1 1 1   21   17   12 o   51.325   12.853   7.1937   4.0362   3.8284   5.5428   10.992   5.8890   42.724   17.475   59.925   18.853 -17.20071 25.70599 
1 1 1   21   17   13 o   66.921   13.708   13.896   4.5686   11.713   6.2865   16.340   6.6507   61.155   19.505   72.686   19.267 -11.53057 27.41677 
1 1 1   21   17   14 o  107.618   13.135   34.152   6.3195   25.478   8.5733   44.472   9.3517   89.149   20.934  126.086   15.870 -36.93690 26.26999 
1 1 1   21   17   15 o   77.932   16.026   19.904   6.2028   29.547   10.110   14.082   7.8550   92.052   23.438   63.812   21.864 28.23932 32.05274 
1 1 1   21   17   16 o   81.073   14.511   21.529   5.5022   21.683   7.6534   21.364   7.9159   81.899   20.137   80.248   20.900 1.651047 29.02216 
1 1 1   21   17   17 o   84.037   16.897   24.185   6.5786   20.214   7.9360   32.907   11.762   76.970   21.326   91.104   26.214 -14.13414 33.79343 
1 1 1   21   17   18 o   48.570   14.255   3.8687   5.1330  -0.7524   6.1714   14.242   9.2463   35.816   16.394   61.324   23.326 -25.50843 28.51088 
1 1 1   21   18    0 o   53.281   14.470   9.9353   4.8202   9.9353   4.8202   9.9353   4.8202   53.281   20.464   53.281   20.464 -0.000000 0.000000 
1 1 1   21   18    1 o  109.044   11.459   33.130   5.8307   33.585   8.0832   32.635   8.4187  110.401   15.666  107.688   16.728 2.713203 22.91839 
1 1 1   21   18    2 o   69.321   11.111   12.431   3.3674   18.191   5.9646   9.7360   4.0798   79.714   16.552   58.927   14.827 20.78687 22.22137 
1 1 1   21   18    3 o   75.446   10.176   13.510   3.3583   23.778   6.0580   8.9543   4.0351   94.555   13.709   56.337   15.043 38.21750 20.35225 
1 1 1   21   18    4 o  114.291   13.034   38.297   6.6617   30.503   9.2778   46.592   9.5710   98.831   20.748  129.752   15.784 -30.92043 26.06881 
1 1 1   21   18    5 o  138.671   12.743   55.733   8.1957   48.481   11.422   63.431   11.767  127.630   19.149  149.712   16.817 -22.08264 25.48524 
1 1 1   21   18    6 o   86.066   13.589   22.676   5.3142   23.511   7.1877   21.668   7.8923   89.386   17.831   82.745   20.512 6.641701 27.17849 
1 1 1   21   18    7 o   56.014   15.311   9.3767   5.2953   12.156   9.9418   8.2762   6.2567   59.465   23.731   52.563   19.353 6.902546 30.62180 
1 1 1   21   18    8 o   77.025   15.674   17.776   5.5636   13.584   6.5960   28.111   10.357   65.112   19.865   88.939   24.251 -23.82692 31.34823 
1 1 1   21   18    9 f   82.872   15.241   25.336   6.4043   28.883   7.6202   16.805   11.818  101.020   16.140   64.725   25.859 36.29565 30.48300 
1 1 1   21   18   10 o   48.716   14.623   5.6557   5.8050   3.0719   7.8049   8.8545   8.6842   44.140   19.447   53.292   21.844 -9.151657 29.24655 
1 1 1   21   18   11 f   93.281   17.647   32.963   8.7047   18.517   11.753   50.514   12.955   66.199   25.996  120.364   23.873 -54.16457 35.29492 
1 1 1   21   18   12 o   85.082   15.499   21.204   5.9137   14.391   6.9931   38.307   11.080   65.224   20.548  104.940   23.208 -39.71581 30.99712 
1 1 1   21   18   13 o   72.043   15.793   18.585   5.7030   18.365   6.7713   19.124   10.578   75.903   19.103   68.182   25.154 7.720825 31.58552 
1 1 1   21   19    0 o   63.200   12.903   12.416   4.6755   12.416   4.6755   12.416   4.6755   63.200   18.247   63.200   18.247 -0.000000 0.000000 
1 1 1   21   19    1 o  118.098   10.512   37.456   5.6866   31.267   7.2290   47.502   9.2105  106.172   14.569  130.024   15.157 -23.85127 21.02350 
1 1 1   21   19    2 o  151.485   9.7480   62.549   6.8765   69.082   9.8723   56.392   9.5839  160.072   13.196  142.897   14.351 17.17496 19.49597 
1 1 1   21   19    3 o   58.281   10.995   10.151   3.0521   8.9096   4.8419   10.970   3.9316   54.009   17.107   62.553   13.817 -8.544018 21.98992 
1 1 1   21   19    4 o   41.207   12.398   3.4002   3.8822   4.2023   4.3902   0.5238   8.3140   40.972   15.945   41.441   18.991 -0.4693565 24.79692 
1 1 1   21   19    5 o   52.826   12.650   8.4181   3.5660   7.9245   4.3329   9.4542   6.2778   51.556   16.163   54.095   19.464 -2.538639 25.29994 
1 1 1   21   19    6 o   63.407   12.724   12.285   3.7919   11.573   4.6295   13.735   6.6095   62.625   15.814   64.189   19.937 -1.563660 25.44727 
1 1 1   22    0    0 o   58.301   16.081   11.194   5.9156   11.194   5.9156   11.194   5.9156   58.301   22.742   58.301   22.742 -0.000000 0.000000 
1 1 1   22    0    1 o   90.441   9.3407   20.790   5.2353   20.790   5.2353   20.790   5.2353   90.441   13.210   90.441   13.210 -0.000000 0.000000 
1 1 1   22    0    2 o  119.937   8.4027   35.351   6.5108   35.351   6.5108   35.351   6.5108  119.937   11.883  119.937   11.883 -0.000000 0.000000 
1 1 1   22    0    3 o  267.438   18.051  189.048   31.240  189.048   31.240  189.048   31.240  267.438   25.528  267.438   25.528 -0.000000 0.000000 
1 1 1   22    0    4 o  112.535   10.904   32.266   7.6781   32.266   7.6781   32.266   7.6781  112.535   15.421  112.535   15.421 -0.000000 0.000000 
1 1 1   22    0    5 o   77.508   18.687   19.500   8.5881   19.500   8.5881   19.500   8.5881   77.508   26.427   77.508   26.427 -0.000000 0.000000 
1 1 1   22    0    6 o  147.755   13.978   56.675   12.965   56.675   12.965   56.675   12.965  147.755   19.768  147.755   19.768 -0.000000 0.000000 
1 1 1   22    0    7 o  143.721   9.8389   51.101   9.1448   51.101   9.1448   51.101   9.1448  143.721   13.914  143.721   13.914 -0.000000 0.000000 
1 1 1   22    0    8 o  113.606   9.7464   32.353   7.0313   32.353   7.0313   32.353   7.0313  113.606   13.783  113.606   13.783 -0.000000 0.000000 
1 1 1   22    0    9 o   55.837   14.709   10.253   5.0519   10.253   5.0519   10.253   5.0519   55.837   20.802   55.837   20.802 -0.000000 0.000000 
1 1 1   22    0   10 o   29.685   11.871   2.9332   3.5795   2.9332   3.5795   2.9332   3.5795   29.685   16.788   29.685   16.788 -0.000000 0.000000 
1 1 1   22    0   11 o   47.041   13.241   7.4474   3.9792   7.4474   3.9792   7.4474   3.9792   47.041   18.726   47.041   18.726 -0.000000 0.000000 
1 1 1   22    0   12 o   45.111   15.491   7.5711   5.4111   7.5711   5.4111   7.5711   5.4111   45.111   21.908   45.111   21.908 -0.000000 0.000000 
1 1 1   22    0   13 o   25.385   11.820  -0.5061   5.0582  -0.5061   5.0582  -0.5061   5.0582   25.385   16.716   25.385   16.716 -0.000000 0.000000 
1 1 1   22    0   14 o   77.620   14.075   17.424   6.2416   17.424   6.2416   17.424   6.2416   77.620   19.905   77.620   19.905 -0.000000 0.000000 
1 1 1   22    0   15 o   76.052   14.297   16.968   6.2093   16.968   6.2093   16.968   6.2093   76.052   20.219   76.052   20.219 -0.000000 0.000000 
1 1 1   22    0   16 o   47.303   16.759   8.6951   6.4156   8.6951   6.4156   8.6951   6.4156   47.303   23.701   47.303   23.701 -0.000000 0.000000 
1 1 1   22    0   17 o   49.977   16.885   9.5992   6.3993   9.5992   6.3993   9.5992   6.3993   49.977   23.879   49.977   23.879 -0.000000 0.000000 
1 1 1   22    0   18 o   58.040   15.380   11.360   5.5068   11.360   5.5068   11.360   5.5068   58.040   21.750   58.040   21.750 -0.000000 0.000000 
1 1 1   22    0   19 o  150.248   9.6950   56.193   9.4431   56.193   9.4431   56.193   9.4431  150.248   13.711  150.248   13.711 -0.000000 0.000000 
1 1 1   22    0   20 o   39.368   13.861   5.7800   4.3769   5.7800   4.3769   5.7800   4.3769   39.368   19.603   39.368   19.603 -0.000000 0.000000 
1 1 1   22    0   21 o   27.971   11.905   2.1801   3.9896   2.1801   3.9896   2.1801   3.9896   27.971   16.837   27.971   16.837 -0.000000 0.000000 
1 1 1   22    0   22 o   53.908   14.284   9.7772   4.7504   9.7772   4.7504   9.7772   4.7504   53.908   20.201   53.908   20.201 -0.000000 0.000000 
1 1 1   22    0   23 o  114.809   9.2282   33.389   6.7689   33.389   6.7689   33.389   6.7689  114.809   13.051  114.809   13.051 -0.000000 0.000000 
1 1 1   22    0   24 o   78.316   11.091   16.788   5.0928   16.788   5.0928   16.788   5.0928   78.316   15.686   78.316   15.686 -0.000000 0.000000 
1 1 1   22    0   25 f   52.833   14.176   9.5617   4.6489   9.5617   4.6489   9.5617   4.6489   52.833   20.047   52.833   20.047 -0.000000 0.000000 
1 1 1   22    0   26 o   26.871   11.667   1.8880   3.9981   1.8880   3.9981   1.8880   3.9981   26.871   16.499   26.871   16.499 -0.000000 0.000000 
1 1 1   22    0   27 o   50.819   13.813   8.9320   4.3908   8.9320   4.3908   8.9320   4.3908   50.819   19.535   50.819   19.535 -0.000000 0.000000 
1 1 1   22    0   28 o   44.173   14.295   7.4227   4.5514   7.4227   4.5514   7.4227   4.5514   44.173   20.216   44.173   20.216 -0.000000 0.000000 
1 1 1   22    0   29 o   19.568   9.3693  -1.3532   3.5919  -1.3532   3.5919  -1.3532   3.5919   19.568   13.250   19.568   13.250 -0.000000 0.000000 
1 1 1   22    0   30 o   27.822   11.918   2.3195   4.0501   2.3195   4.0501   2.3195   4.0501   27.822   16.855   27.822   16.855 -0.000000 0.000000 
1 1 1   22    0   31 o   40.252   14.509   6.5731   4.8569   6.5731   4.8569   6.5731   4.8569   40.252   20.519   40.252   20.519 -0.000000 0.000000 
1 1 1   22    0   32 o   42.957   15.266   7.6750   5.3327   7.6750   5.3327   7.6750   5.3327   42.957   21.589   42.957   21.589 -0.000000 0.000000 
1 1 1   22    1    0 o  105.574   8.1521   27.508   5.5160   27.508   5.5160   27.508   5.5160  105.574   11.529  105.574   11.529 -0.000000 0.000000 
1 1 1   22    1    1 o  108.678   8.6903   28.308   4.3398   22.138   5.7131   36.725   6.6729   94.737   12.903  122.620   11.644 -27.88246 17.38069 
1 1 1   22    1    2 o  117.481   9.4880   34.490   5.1463   36.966   6.9489   31.483   7.6587  122.812   12.107  112.151   14.612 10.66081 18.97593 
1 1 1   22    1    3 o   77.758   11.182   15.966   3.9413   18.401   5.2614   12.851   5.9495   86.331   13.040   69.185   18.168 17.14602 22.36321 
1 1 1   22    1    4 o   89.870   8.9011   19.796   3.7046   20.389   5.6609   19.352   4.8994   90.765   13.345   88.976   11.782 1.788803 17.80215 
1 1 1   22    1    5 o   87.631   8.8261   18.349   3.5636   22.934   5.5866   15.203   4.6273   96.645   12.369   78.617   12.594 18.02827 17.65229 
1 1 1   22    1    6 o  171.562   9.3600   72.295   7.3669   75.365   11.664   70.257   9.5018  173.732   14.366  169.391   12.003 4.341858 18.72008 
1 1 1   22    1    7 o  112.208   9.8138   31.506   5.0647   30.003   7.7565   32.624   6.6871  109.184   15.201  115.232   12.417 -6.048431 19.62764 
1 1 1   22    1    8 o   74.267   11.484   13.812   3.8031   18.070   6.2167   11.265   4.8077   83.017   16.603   65.516   15.870 17.50160 22.96765 
1 1 1   22    1    9 o  104.758   11.598   29.398   5.2274   39.211   7.2703   18.895   7.5215  126.313   12.316   83.203   19.656 43.10981 23.19533 
1 1 1   22    1   10 o   53.257   12.377   7.2638   3.8997   2.0373   6.3380   10.448   4.9470   43.742   18.357   62.772   16.606 -19.02925 24.75413 
1 1 1   22    1   11 o   56.923   12.295   7.3646   3.2976   5.5772   3.8638   12.158   6.3273   47.140   15.318   66.707   19.236 -19.56695 24.58995 
1 1 1   22    1   12 o  122.378   14.243   40.268   7.7849   42.206   12.379   39.001   10.013  122.363   22.474  122.394   17.505 -0.3056335E-01 28.48694 
1 1 1   22    1   13 o  146.093   16.060   62.534   9.8293   50.041   16.055   70.024   12.432  127.225   27.780  164.961   16.125 -37.73605 32.12088 
1 1 1   22    1   14 o  133.395   14.931   49.008   8.7994   51.440   14.321   47.533   11.153  132.652   23.982  134.139   17.791 -1.487305 29.86114 
1 1 1   22    1   15 o   77.346   15.010   17.350   5.6307   19.756   7.9847   14.969   7.9414   83.080   20.653   71.612   21.785 11.46761 30.01944 
1 1 1   22    1   16 o  132.159   13.760   47.237   8.1733   45.344   10.213   50.610   13.632  131.154   16.661  133.165   21.904 -2.010910 27.52044 
1 1 1   22    1   17 o  158.314   17.085   76.689   10.258   80.260   12.021   67.120   19.678  176.700   14.557  139.927   30.915 36.77321 34.17075 
1 1 1   22    1   18 o  111.272   12.563   33.803   6.1701   24.719   8.6777   43.092   8.7749   92.921   20.530  129.623   14.485 -36.70158 25.12527 
1 1 1   22    1   19 o   55.986   12.531   8.4582   3.7264   10.061   5.2100   6.7800   5.3319   60.602   17.450   51.369   17.991 9.232296 25.06300 
1 1 1   22    1   20 o  139.149   9.0766   48.570   5.9009   47.175   8.3298   49.976   8.3604  137.014   13.009  141.284   12.662 -4.269653 18.15323 
1 1 1   22    1   21 o  127.147   9.7504   41.912   5.5678   54.137   7.8685   29.653   7.8796  147.756   11.395  106.538   15.825 41.21748 19.50085 
1 1 1   22    1   22 o   62.800   11.170   10.864   3.3829   7.3549   4.7890   14.359   4.7792   52.081   17.060   73.519   14.425 -21.43766 22.34072 
1 1 1   22    1   23 o  104.784   9.8086   28.645   4.7545   32.791   6.7116   24.469   6.7363  113.302   12.675   96.266   14.973 17.03538 19.61724 
1 1 1   22    1   24 o   67.926   11.266   12.854   3.5409   10.492   4.9560   15.318   5.0607   60.774   16.858   75.078   14.948 -14.30375 22.53112 
1 1 1   22    1   25 o   59.860   11.337   10.076   3.2685   11.861   4.6556   8.3407   4.5898   65.374   15.478   54.346   16.569 11.02818 22.67332 
1 1 1   22    1   26 o   75.087   10.722   15.798   3.6976   21.880   5.2361   9.7469   5.2222   92.362   12.130   57.813   17.683 34.54852 21.44350 
1 1 1   22    1   27 o   47.117   11.331   6.0949   2.9908   6.5439   4.1379   5.6038   4.3278   48.507   15.856   45.726   16.191 2.780880 22.66210 
1 1 1   22    1   28 o   39.449   10.778   3.5197   2.8174   3.5700   3.8547   3.4620   4.1282   39.346   15.038   39.553   15.443 -0.2070389 21.55520 
1 1 1   22    1   29 f   72.358   10.996   14.745   3.6932   11.341   5.2536   18.071   5.1927   61.981   17.415   82.736   13.429 -20.75588 21.99196 
1 1 1   22    1   30 o  121.538   9.2469   38.923   5.2471   36.809   7.3604   41.108   7.4821  117.881   13.360  125.195   12.788 -7.314255 18.49385 
1 1 1   22    1   31 o   48.021   11.481   6.5900   3.1947   4.1937   4.6841   8.6741   4.3683   41.690   16.399   54.353   16.073 -12.66371 22.96222 
1 1 1   22    1   32 o   42.480   11.648   4.5134   3.3445   6.1934   4.8482   2.9881   4.6196   46.415   17.044   38.545   15.881 7.869888 23.29574 
1 1 1   22    2    0 o   85.907   13.338   20.323   6.6287   20.323   6.6287   20.323   6.6287   85.907   18.863   85.907   18.863 -0.000000 0.000000 
1 1 1   22    2    1 o  111.336   10.114   30.512   5.1768   33.290   8.2153   28.683   6.6669  114.976   15.289  107.695   13.246 7.280319 20.22883 
1 1 1   22    2    2 o   39.658   10.395   3.2749   2.5355   3.2121   3.9488   3.3190   3.3073   40.273   15.262   39.043   14.116 1.229225 20.78912 
1 1 1   22    2    3 o   62.025   10.118   9.8791   2.8610   10.586   4.2910   9.3131   3.8389   63.921   14.674   60.129   13.933 3.791901 20.23538 
1 1 1   22    2    4 o   57.170   10.885   8.4521   3.0407   6.1108   4.2310   10.953   4.3729   49.323   16.029   65.017   14.732 -15.69399 21.77074 
1 1 1   22    2    5 o   52.799   11.305   7.1789   3.0341   6.5587   4.2391   7.8302   4.3444   50.740   16.000   54.859   15.974 -4.118355 22.60915 
1 1 1   22    2    6 o   97.058   9.5970   24.615   4.0133   30.412   5.4143   17.544   5.9791  112.105   10.334   82.012   16.174 30.09318 19.19395 
1 1 1   22    2    7 o   66.319   10.606   11.490   3.2265   13.511   4.5430   9.4324   4.5833   72.715   13.875   59.924   16.046 12.79129 21.21254 
1 1 1   22    2    8 o   67.262   11.015   11.784   3.4132   14.214   4.9550   9.5903   4.7083   74.196   14.809   60.328   16.309 13.86759 22.02913 
1 1 1   22    2    9 f  100.221   8.5189   24.578   3.9600   25.231   6.0071   24.076   5.2663  101.125   12.711   99.318   11.346 1.806740 17.03773 
1 1 1   22    2   10 f   92.520   10.847   22.304   4.1280   20.947   7.4781   22.899   4.9505   88.080   18.742   96.960   10.925 -8.880592 21.69389 
1 1 1   22    2   11 o   79.484   13.338   17.319   4.9740   22.264   7.0841   12.511   6.9855   91.717   17.157   67.250   20.426 24.46707 26.67616 
1 1 1   22    2   12 o   50.092   12.880   5.7510   3.7647   7.1905   6.3497   4.9707   4.6749   53.926   19.550   46.258   16.774 7.668110 25.75995 
1 1 1   22    2   13 o   66.984   12.478   12.942   4.2005   7.0487   6.7120   16.737   5.3855   53.813   20.000   80.156   14.926 -26.34320 24.95556 
1 1 1   22    2   14 o   72.644   14.019   10.089   5.3803   1.7104   6.4214   29.827   9.8563   42.851   18.253  102.437   21.283 -59.58567 28.03805 
1 1 1   22    2   15 o   50.211   14.180   2.0094   4.7233  -1.7206   5.5022   12.457   9.2087   34.838   15.763   65.584   23.576 -30.74572 28.36005 
1 1 1   22    2   16 o   98.526   15.346   29.000   6.4672   30.378   7.6898   25.670   11.953  108.328   15.189   88.723   26.669 19.60555 30.69143 
1 1 1   22    2   17 o   64.470   14.448   9.3692   4.4740   6.1015   5.1630   19.219   8.9641   49.253   17.659   79.687   22.872 -30.43396 28.89576 
1 1 1   22    2   18 o   86.299   15.968   21.787   5.9964   21.389   6.9522   22.944   11.850   88.683   17.396   83.914   26.782 4.768486 31.93536 
1 1 1   22    2   19 o   80.084   15.827   17.534   5.4058   16.275   6.1132   22.052   11.577   77.243   17.357   82.926   26.472 -5.683342 31.65486 
1 1 1   22    2   20 o   38.327   12.611  -2.4669   3.5666  -3.1703   3.8278   2.1647   9.8228   26.505   12.399   50.148   21.963 -23.64334 25.22106 
1 1 1   22    2   21 o  112.949   12.544   28.836   5.5821   24.560   6.2274   46.320   12.592   98.228   13.565  127.670   21.104 -29.44258 25.08770 
1 1 1   22    2   22 o  136.378   15.562   53.614   8.0035   52.691   9.1623   56.587   16.442  143.030   13.707  129.727   27.944 13.30220 31.12459 
1 1 1   22    2   23 o  113.826   11.024   34.240   5.6514   33.187   7.0890   36.074   9.3613  113.332   13.384  114.321   17.521 -0.9890900 22.04845 
1 1 1   22    2   24 o   44.742   12.169   4.8292   3.5220   5.9641   4.0708   1.4502   7.0239   47.126   15.742   42.359   18.561 4.767212 24.33761 
1 1 1   22    2   25 o   54.925   12.647   9.0323   3.8262   10.556   4.5485   5.3440   7.0762   61.385   15.771   48.465   19.775 12.91968 25.29344 
1 1 1   22    2   26 o   53.729   12.180   5.4003   3.4249   1.7374   3.9816   15.821   6.7156   35.257   14.654   72.202   19.461 -36.94548 24.36077 
1 1 1   22    2   27 o   58.381   13.125   9.7868   3.7646   9.1664   4.4403   11.373   7.0990   56.644   16.044   60.119   20.776 -3.474972 26.24955 
1 1 1   22    2   28 o   38.102   10.983   2.5796   3.1954   4.5006   3.6407  -3.8637   6.6677   41.765   14.844   34.440   16.192 7.324188 21.96639 
1 1 1   22    2   29 o   42.170   11.502   0.6192   2.9728  -2.1610   3.3551   10.776   6.4127   25.371   11.782   58.969   19.758 -33.59771 23.00360 
1 1 1   22    2   30 o   59.661   12.228   11.810   3.9985   14.633   4.6968   4.3758   7.6215   72.872   14.302   46.450   19.838 26.42203 24.45551 
1 1 1   22    2   31 o   81.772   13.815   21.173   5.1656   21.412   6.7608   20.837   8.0068   84.506   17.686   79.039   21.227 5.467651 27.62907 
1 1 1   22    2   32 o   40.400   12.824   1.0941   3.5317   0.1833   3.8039   6.7818   9.5058   30.754   13.562   50.046   21.768 -19.29112 25.64715 
1 1 1   22    3    0 o  190.845   10.412   89.598   12.953   89.598   12.953   89.598   12.953  190.845   14.724  190.845   14.724 -0.000000 0.000000 
1 1 1   22    3    1 o  134.237   8.9824   44.346   5.6341   45.330   8.0634   43.407   7.8756  135.685   12.716  132.790   12.690 2.895279 17.96487 
1 1 1   22    3    2 o  160.749   10.517   63.180   7.7974   54.350   10.096   76.230   12.274  147.340   14.662  174.159   15.080 -26.81935 21.03330 
1 1 1   22    3    3 o   68.443   10.786   12.258   3.3910   15.260   4.8160   9.3052   4.7755   77.433   13.815   59.453   16.569 17.97997 21.57230 
1 1 1   22    3    4 o  111.015   8.5071   30.727   4.3131   33.798   5.7375   26.736   6.5405  118.159   10.390  103.870   13.473 14.28881 17.01417 
1 1 1   22    3    5 o  107.994   8.8539   28.961   4.4007   34.140   6.1836   23.647   6.2641  118.425   11.173   97.563   13.738 20.86153 17.70786 
1 1 1   22    3    6 o  103.726   8.3032   26.248   4.0096   26.987   5.9683   25.641   5.4131  104.879   12.176  102.572   11.292 2.307297 16.60647 
1 1 1   22    3    7 o   82.047   9.5804   17.442   3.4631   13.816   5.2118   20.310   4.6341   72.680   15.795   91.415   10.847 -18.73495 19.16081 
1 1 1   22    3    8 o   90.369   8.9174   20.046   3.7483   21.037   5.6287   19.257   5.0244   92.193   13.064   88.546   12.141 3.647202 17.83473 
1 1 1   22    3    9 o  156.347   8.7448   59.713   6.3335   64.040   9.7392   56.541   8.3373  160.819   12.958  151.875   11.746 8.944702 17.48957 
1 1 1   22    3   10 o   85.592   9.1322   18.696   3.4660   16.394   5.3060   20.410   4.5775   79.622   14.804   91.563   10.697 -11.94148 18.26433 
1 1 1   22    3   11 o  140.202   10.431   48.644   6.7603   58.983   10.458   41.221   8.8606  152.804   14.644  127.601   14.858 25.20337 20.86177 
1 1 1   22    3   12 o  118.750   11.841   36.568   6.5573   37.014   9.6058   36.179   8.9733  119.055   17.264  118.444   16.210 0.6108780 23.68182 
1 1 1   22    3   13 o  132.020   11.172   44.816   6.8687   43.306   9.2768   46.648   10.219  129.975   15.272  134.066   16.310 -4.091125 22.34385 
1 1 1   22    3   14 o  127.694   11.283   42.594   6.6608   44.437   8.9548   40.311   9.9658  131.906   14.526  123.481   17.269 8.424965 22.56595 
1 1 1   22    3   15 o   88.290   11.704   21.555   4.5803   16.347   6.9592   25.535   6.0838   75.855   19.518  100.724   12.924 -24.86864 23.40874 
1 1 1   22    3   16 o   42.611   11.622   3.1698   3.1692   6.1660   5.4378   1.6286   3.8999   49.704   18.081   35.517   14.608 14.18708 23.24422 
1 1 1   22    3   17 o  105.658   9.7860   28.085   4.7911   33.656   7.1706   23.592   6.4394  115.346   13.302   95.970   14.357 19.37541 19.57204 
1 1 1   22    3   18 o  109.604   12.029   31.454   6.1351   34.746   9.2094   28.827   8.2263  114.579   17.198  104.630   16.823 9.948868 24.05824 
1 1 1   22    3   19 o   93.770   12.835   24.107   5.4649   20.727   7.9840   27.086   7.4962   85.320   20.315  102.220   15.691 -16.89913 25.66917 
1 1 1   22    3   20 o   57.174   12.602   8.8464   3.7691   7.1096   5.2147   10.746   5.4540   52.044   17.815   62.304   17.828 -10.25950 25.20343 
1 1 1   22    3   21 o   45.530   12.696   3.8887   4.4804 -11.0408   10.050   7.5916   5.0053   38.144   18.451   52.916   17.446 -14.77221 25.39297 
1 1 1   22    3   22 o   55.026   14.308   8.5160   4.7819   4.8932   9.3708   9.7916   5.5604   51.502   21.996   58.550   18.303 -7.047832 28.61510 
1 1 1   22    3   23 o   48.613   11.797   6.2639   3.1763   5.8335   4.0625   6.9408   5.0945   46.787   15.725   50.439   17.590 -3.651417 23.59444 
1 1 1   22    3   24 o   66.760   11.736   12.165   3.6268   9.6631   4.6916   15.881   5.7173   58.444   16.470   75.076   16.723 -16.63268 23.47201 
1 1 1   22    3   25 o   42.619   11.320   3.9423   3.0228   2.3905   3.8408   6.4676   4.8996   36.499   14.685   48.739   17.231 -12.24089 22.63988 
1 1 1   22    3   26 o  109.098   9.9542   31.633   5.0576   34.034   7.1139   29.178   7.1918  113.940   13.359  104.256   14.760 9.684387 19.90840 
1 1 1   22    3   27 o   94.586   10.055   23.898   4.4443   23.724   6.2388   24.078   6.3327   94.287   14.158   94.885   14.281 -0.5975571 20.10954 
1 1 1   22    3   28 o   87.687   10.225   20.846   4.0916   21.659   5.7032   19.984   5.8733   90.555   13.476   84.820   15.383 5.735054 20.45086 
1 1 1   22    3   29 f   75.391   10.610   15.745   3.6603   10.198   5.0317   21.979   5.3345   58.829   17.209   91.953   12.413 -33.12361 21.21902 
1 1 1   22    3   30 o   66.966   11.904   13.265   3.7394   11.801   5.3633   14.650   5.2163   62.578   17.601   71.354   16.033 -8.775299 23.80872 
1 1 1   22    3   31 f   48.073   12.027   6.7954   3.3975   7.5078   4.4227   5.7695   5.3070   50.384   16.389   45.762   17.608 4.621090 24.05492 
1 1 1   22    3   32 o   58.227   12.431   10.712   3.6849   11.526   4.6802   9.3854   5.9770   62.345   15.987   54.109   19.042 8.236084 24.86299 
1 1 1   22    4    0 o   72.885   11.701   14.603   4.9139   14.603   4.9139   14.603   4.9139   72.885   16.547   72.885   16.547 -0.000000 0.000000 
1 1 1   22    4    1 o   75.468   10.263   13.097   3.4242   9.5547   4.1782   20.344   5.9758   60.613   14.863   90.323   14.156 -29.70979 20.52606 
1 1 1   22    4    2 o  169.639   10.056   69.454   7.6205   64.131   9.3440   80.026   13.168  161.563   12.375  177.714   15.855 -16.15038 20.11281 
1 1 1   22    4    3 o  168.432   12.063   72.892   9.4253   83.256   13.453   62.902   13.209  181.211   15.886  155.653   18.158 25.55873 24.12597 
1 1 1   22    4    4 o  185.331   11.368   89.884   9.0373   79.334   15.662   95.151   11.065  173.631   19.300  197.031   12.017 -23.39984 22.73559 
1 1 1   22    4    5 o  125.667   9.1268   37.978   5.1227   42.564   8.8122   35.638   6.2957  130.379   14.462  120.955   11.137 9.424492 18.25365 
1 1 1   22    4    6 o   96.833   8.7102   23.527   3.8456   19.999   5.8003   26.294   5.1369   89.581   13.855  104.085   10.560 -14.50365 17.42031 
1 1 1   22    4    7 o  124.493   7.7179   37.840   4.4758   35.013   6.3967   40.551   6.2648  119.679   11.437  129.306   10.367 -9.627579 15.43588 
1 1 1   22    4    8 o  128.237   8.5881   41.463   5.0010   33.884   7.5009   47.528   6.7099  116.492   13.778  139.982   10.257 -23.48978 17.17619 
1 1 1   22    4    9 o   62.714   10.126   11.537   3.2150   3.1762   5.2909   16.431   4.0481   43.242   17.293   82.186   10.539 -38.94396 20.25171 
1 1 1   22    4   10 o  113.257   8.5118   31.666   4.4995   33.043   6.3180   30.248   6.4096  115.941   11.660  110.572   12.403 5.368965 17.02355 
1 1 1   22    4   11 o  147.919   11.156   59.632   6.8717   66.147   8.3999   46.450   11.948  164.387   10.934  131.452   19.449 32.93492 22.31166 
1 1 1   22    4   12 o  103.515   11.046   27.079   5.1396   21.522   6.7242   34.888   7.9705   89.923   16.612  117.108   14.563 -27.18488 22.09202 
1 1 1   22    4   13 o   70.542   12.275   14.252   4.4250   19.705   5.8360   6.8761   6.7869   88.006   14.189   53.078   20.034 34.92839 24.54958 
1 1 1   22    4   14 o  121.634   9.4471   37.201   5.3548   40.659   7.9336   34.306   7.2572  126.776   13.390  116.492   13.330 10.28442 18.89416 
1 1 1   22    4   15 o  158.431   11.056   64.355   7.8895   69.535   13.171   61.456   9.8526  161.284   17.474  155.578   13.551 5.705688 22.11255 
1 1 1   22    4   16 o   39.165   11.335   1.9795   3.1351   3.7962   5.4548   1.0833   3.8311   44.273   17.607   34.057   14.282 10.21660 22.67061 
1 1 1   22    4   17 o   55.382   12.117   8.3998   3.4293   7.0186   5.8263   9.1319   4.2418   52.350   18.760   58.414   15.341 -6.063869 24.23353 
1 1 1   22    4   18 o  129.433   11.649   42.502   6.9313   54.455   10.892   34.367   8.9855  144.550   16.123  114.315   16.819 30.23557 23.29849 
1 1 1   22    4   19 o   73.092   14.956   15.619   5.3296   14.943   8.7597   16.016   6.7156   70.719   23.068   75.466   19.041 -4.746277 29.91162 
1 1 1   22    4   20 o  105.811   17.365   29.918   6.9647   43.729   16.409   26.883   7.6920  110.780   30.656  100.842   16.321 9.937424 34.72969 
1 1 1   22    4   21 o   61.553   16.047   8.5748   4.4081   17.245   12.730   7.3934   4.6989   71.070   27.289   52.036   16.891 19.03402 32.09367 
1 1 1   22    4   22 o   62.178   15.187   10.591   4.5038   13.740   10.901   9.9423   4.9457   65.087   25.182   59.270   16.982 5.816818 30.37338 
1 1 1   22    4   23 o   48.222   14.178   3.7810   3.9118   9.2569   10.337   2.8658   4.2260   57.716   23.765   38.727   15.467 18.98933 28.35507 
1 1 1   22    4   24 o   64.631   12.859   11.878   4.1267   8.4627   5.4788   16.356   6.2737   54.285   18.262   74.976   18.108 -20.69072 25.71788 
1 1 1   22    4   25 o  105.554   10.868   30.223   5.3184   31.124   7.1904   29.135   7.9027  108.349   14.200  102.760   16.455 5.588852 21.73512 
1 1 1   22    4   26 o   61.135   12.179   11.234   3.6659   12.538   4.6475   9.0866   5.9641   67.037   15.186   55.233   19.045 11.80397 24.35850 
1 1 1   22    4   27 o   63.590   11.787   12.215   3.5770   13.828   4.4881   9.4058   5.9224   71.276   13.973   55.904   18.986 15.37158 23.57349 
1 1 1   22    4   28 o   58.009   12.303   9.3836   3.6126   6.7542   4.6486   13.393   5.7404   48.994   16.819   67.024   17.962 -18.02971 24.60672 
1 1 1   22    4   29 o   71.449   12.515   14.833   4.0857   13.373   5.2345   17.109   6.5359   67.826   16.639   75.071   18.699 -7.245819 25.03016 
1 1 1   22    4   30 o   29.559   9.2292  -0.5227   2.6595   1.7981   3.1659  -6.0881   4.9026   32.582   13.253   26.535   12.848 6.046967 18.45844 
1 1 1   22    4   31 o   46.423   11.570   5.0188   2.9858   2.8584   3.5639   10.106   5.4686   36.197   14.283   56.648   18.206 -20.45121 23.13975 
1 1 1   22    5    0 f   59.054   15.005   11.318   5.3587   11.318   5.3587   11.318   5.3587   59.054   21.220   59.054   21.220 -0.000000 0.000000 
1 1 1   22    5    1 o   82.961   10.436   16.934   3.8847   23.417   6.0749   12.450   5.0528   97.136   13.382   68.786   16.017 28.35026 20.87117 
1 1 1   22    5    2 o   62.568   11.256   9.4146   3.1150   13.289   5.6566   7.7283   3.7319   70.556   17.290   54.580   14.416 15.97588 22.51105 
1 1 1   22    5    3 o   63.871   10.504   8.8840   3.2884   18.076   5.5846   4.0053   4.0685   85.065   14.047   42.677   15.622 42.38793 21.00895 
1 1 1   22    5    4 o   94.070   9.4995   21.200   4.0993   27.391   6.5392   17.193   5.2614  105.019   13.323   83.121   13.544 21.89829 18.99892 
1 1 1   22    5    5 o  167.766   10.430   70.760   8.0196   71.680   12.633   70.139   10.379  167.477   16.141  168.056   13.215 -0.5790405 20.86032 
1 1 1   22    5    6 o  192.292   11.139   93.399   9.4752   96.775   16.283   91.671   11.651  192.323   18.116  192.261   12.967 0.6182861E-01 22.27858 
1 1 1   22    5    7 o   81.226   9.3570   16.420   3.5519   16.454   5.0454   16.388   5.0012   81.290   13.281   81.162   13.185 0.1275940 18.71405 
1 1 1   22    5    8 o  138.995   9.1512   48.033   5.9317   52.027   8.4621   44.176   8.3171  144.961   12.491  133.029   13.378 11.93246 18.30247 
1 1 1   22    5    9 o  101.679   9.0932   25.567   4.2786   30.801   6.3001   21.087   5.8291  111.647   12.074   91.711   13.600 19.93595 18.18632 
1 1 1   22    5   10 o  207.017   10.323  109.775   9.8314  115.443   13.076  102.403   14.912  214.922   13.018  199.112   16.025 15.80992 20.64617 
1 1 1   22    5   11 o  107.213   8.7077   27.437   4.2475   20.354   5.4708   38.187   6.7396   90.128   12.988  124.298   11.602 -34.17089 17.41538 
1 1 1   22    5   12 o  138.672   10.243   49.831   6.4985   40.007   9.3429   59.038   9.0450  123.786   16.150  153.558   12.604 -29.77175 20.48573 
1 1 1   22    5   13 o   62.035   11.689   9.8943   3.5402   15.069   5.5353   6.3125   4.6052   74.683   16.315   49.388   16.742 25.29584 23.37724 
1 1 1   22    5   14 o  124.862   11.561   41.835   6.3293   37.885   10.577   44.038   7.8998  117.450   19.269  132.275   12.779 -14.82559 23.12164 
1 1 1   22    5   15 o  160.814   18.593   83.742   10.700   68.173   21.806   88.679   12.280  135.281   34.410  186.348   14.100 -51.06696 37.18650 
1 1 1   22    5   16 o   95.803   12.838   24.201   5.1853   26.881   9.4744   23.054   6.1956   96.347   21.578   95.260   13.916 1.086929 25.67606 
1 1 1   22    5   17 o  116.676   12.566   37.295   6.0998   33.888   10.595   38.984   7.4603  108.641   21.627  124.710   12.800 -16.06897 25.13104 
1 1 1   22    5   18 o   46.705   11.516   4.9171   3.3093   8.3521   4.7327   1.6310   4.6291   55.617   16.795   37.793   15.762 17.82316 23.03295 
1 1 1   22    5   19 o   88.397   11.078   21.054   4.3525   14.544   6.1330   27.660   6.1780   71.987   18.215  104.806   12.613 -32.81927 22.15559 
1 1 1   22    5   20 o   55.816   12.717   8.4306   3.6980   7.2672   4.7137   10.293   5.9634   51.707   16.924   59.925   18.985 -8.217796 25.43392 
1 1 1   22    5   21 o   77.278   18.326   16.217   6.1918   30.790   15.531   13.463   6.7516   87.507   30.702   67.048   20.018 20.45853 36.65135 
1 1 1   22    5   22 o   42.351   14.004  -1.3006   3.7671   6.9882   12.616  -2.1120   3.9471   56.548   24.825   28.153   12.969 28.39505 28.00818 
1 1 1   22    5   23 o   51.955   11.900   7.8757   4.1228  -4.6219   8.1946   12.111   4.7706   37.972   17.883   65.938   15.705 -27.96552 23.80029 
1 1 1   22    5   24 o   49.817   14.163   6.2083   4.2710   0.9558   12.321   6.9257   4.5533   49.755   22.917   49.880   16.649 -0.1253319 28.32641 
1 1 1   22    5   25 o   57.762   14.130   10.560   4.5295   4.8211   11.072   11.713   4.9639   51.645   22.937   63.879   16.508 -12.23356 28.25992 
1 1 1   22    5   26 o   52.358   14.023   0.2839   4.0204   21.400   10.186  -3.6123   4.3757   77.182   24.852   27.534   12.997 49.64806 28.04527 
1 1 1   22    5   27 o   35.629   15.055   1.5800   4.3099   0.0000   0.0000   1.5800   4.3099  ?   ?    35.629   15.055      ?      ? 
1 1 1   22    5   28 o   57.731   19.635   10.302   6.3343   0.0000   0.0000   10.302   6.3343  ?   ?    57.731   19.635      ?      ? 
1 1 1   22    5   29 o   76.411   17.307   23.156   7.8630   13.384   12.774   29.118   9.9771   60.398   25.736   92.425   23.148 -32.02668 34.61439 
1 1 1   22    5   30 o   63.129   15.817   14.325   5.8490   14.729   7.9112   13.838   8.6864   64.572   21.943   61.686   22.787 2.886272 31.63454 
1 1 1   22    5   31 o   70.820   15.298   17.522   5.4963   18.104   8.4705   17.099   7.2235   70.400   22.661   71.240   20.557 -0.8393021 30.59585 
1 1 1   22    6    0 o  119.658   8.6891   35.390   6.7058   35.390   6.7058   35.390   6.7058  119.658   12.288  119.658   12.288 -0.000000 0.000000 
1 1 1   22    6    1 o   85.600   9.0172   18.354   3.4755   14.889   4.8170   22.116   5.0196   76.123   14.058   95.076   11.297 -18.95232 18.03432 
1 1 1   22    6    2 o   60.987   11.343   9.4381   3.2889   12.984   5.1480   6.9927   4.2751   70.067   16.064   51.908   16.020 18.15971 22.68661 
1 1 1   22    6    3 o   88.591   10.363   20.600   3.8185   18.523   6.7150   21.593   4.6421   82.995   17.843   94.188   10.546 -11.19364 20.72624 
1 1 1   22    6    4 o  152.965   10.413   58.915   7.2857   60.382   11.575   57.952   9.3759  153.360   16.150  152.570   13.149 0.7896881 20.82607 
1 1 1   22    6    5 o  105.005   12.849   27.258   5.9534   37.638   10.318   22.079   7.2892  119.312   18.504   90.698   17.832 28.61442 25.69785 
1 1 1   22    6    6 o   59.076   10.901   8.9101   3.3242   14.565   4.8507   3.9024   4.5645   74.968   14.368   43.184   16.398 31.78426 21.80181 
1 1 1   22    6    7 o   34.207   9.7158   1.6284   2.4132   0.3850   3.6183   2.6245   3.2388   31.964   13.660   36.450   13.820 -4.486204 19.43155 
1 1 1   22    6    8 o   74.885   9.6000   15.156   3.1513   19.974   4.2731   9.4121   4.6658   90.552   10.097   59.217   16.331 31.33486 19.20001 
1 1 1   22    6    9 o   89.482   7.5260   19.631   3.1443   20.654   4.4604   18.620   4.4332   91.900   10.385   87.064   10.895 4.836288 15.05192 
1 1 1   22    6   10 o   73.341   9.9123   13.730   3.2281   12.347   4.1636   15.815   5.1112   69.016   13.392   77.666   14.618 -8.650085 19.82469 
1 1 1   22    6   11 o   67.779   11.258   12.364   3.5090   13.539   5.0521   11.268   4.8775   71.095   15.631   64.462   16.207 6.632950 22.51655 
1 1 1   22    6   12 o  107.312   10.717   27.641   5.1659   38.990   8.9239   21.920   6.3354  122.346   15.607   92.278   14.690 30.06805 21.43338 
1 1 1   22    6   13 o  124.381   9.3256   39.193   5.3856   44.287   7.6569   34.205   7.5765  133.000   12.318  115.762   14.004 17.23813 18.65112 
1 1 1   22    6   14 o  113.751   9.2633   32.596   4.9220   34.030   7.0676   31.245   6.8588  116.236   13.010  111.266   13.190 4.969810 18.52666 
1 1 1   22    6   15 o   89.666   11.120   21.003   4.5239   21.744   6.8601   20.433   6.0178   89.867   16.956   89.466   14.393 0.4006805 22.24037 
1 1 1   22    6   16 o   73.780   11.410   14.629   3.8222   15.080   5.2944   14.137   5.5239   75.317   15.556   72.242   16.696 3.074921 22.81970 
1 1 1   22    6   17 o   93.695   13.346   26.163   5.4300   17.885   9.0540   30.812   6.7858   76.845   23.236  110.545   13.135 -33.70057 26.69124 
1 1 1   22    6   18 o   43.951   12.918   1.5825   4.4114   6.9180   7.1243  -1.7353   5.6179   52.935   20.392   34.966   15.864 17.96835 25.83621 
1 1 1   22    6   19 o   53.361   13.687   6.5761   4.0600   11.453   7.6731   4.6797   4.7847   62.090   21.591   44.632   16.827 17.45732 27.37379 
1 1 1   22    6   20 o   52.297   14.094   7.1813   4.7003   7.4170   7.5630   7.0330   5.9998   53.287   20.875   51.306   18.941 1.980251 28.18729 
1 1 1   22    6   21 o   72.271   15.146   15.627   5.3656   19.937   8.7599   13.040   6.7880   78.970   22.593   65.571   20.178 13.39845 30.29176 
1 1 1   22    6   22 o   69.781   17.128   13.969   5.6165   22.092   13.669   12.319   6.1605   75.316   28.430   64.247   19.108 11.06876 34.25515 
1 1 1   22    6   23 o   61.731   14.508   12.793   4.9727   0.9534   14.031   14.494   5.3179   51.727   24.045   71.735   16.240 -20.00737 29.01556 
1 1 1   22    6   24 f   61.617   13.616   8.9374   4.0896   19.392   8.0409   5.2893   4.7498   77.961   21.413   45.274   16.825 32.68708 27.23231 
1 1 1   22    6   25 o   46.267   13.320   4.6552   4.0154   6.1130   8.2811   4.2072   4.5912   50.315   21.041   42.218   16.340 8.096512 26.64066 
1 1 1   22    6   26 o  100.132   16.078   34.859   6.6465   28.908   13.904   36.621   7.5670   82.832   29.050  117.433   13.788 -34.60084 32.15596 
1 1 1   22    6   27 o   56.889   18.066   9.6708   5.3972   0.0000   0.0000   9.6708   5.3972  ?   ?    56.889   18.066      ?      ? 
1 1 1   22    6   28 o   48.458   18.891   6.4089   6.1708   0.0000   0.0000   6.4089   6.1708  ?   ?    48.458   18.891      ?      ? 
1 1 1   22    6   29 o   44.968   13.661   4.2383   5.0696   0.5103   9.6493   5.6597   5.9582   43.796   20.211   46.141   18.385 -2.344955 27.32204 
1 1 1   22    6   30 o   55.463   14.882   9.3803   4.7229   13.362   9.8466   8.1905   5.3825   59.426   23.648   51.501   18.074 7.925392 29.76401 
1 1 1   22    7    0 o   86.758   9.2223   19.267   4.9356   19.267   4.9356   19.267   4.9356   86.758   13.042   86.758   13.042 -0.000000 0.000000 
1 1 1   22    7    1 o   55.266   10.325   8.0310   2.7073   8.2365   3.7852   7.8158   3.8737   56.031   14.382   54.501   14.818 1.530018 20.64995 
1 1 1   22    7    2 o   24.248   8.0197  -3.3108   2.2196  -4.8470   2.8648  -1.0036   3.5109   19.790   9.6369   28.706   12.821 -8.916101 16.03931 
1 1 1   22    7    3 o   47.742   10.938   5.2807   2.7690   3.5272   3.4867   8.2747   4.5562   39.781   14.477   55.702   16.399 -15.92072 21.87505 
1 1 1   22    7    4 o   77.155   10.772   15.364   3.6991   13.879   4.7914   17.556   5.8201   72.861   14.580   81.448   15.860 -8.587112 21.54359 
1 1 1   22    7    5 o   53.242   11.708   7.5353   3.2449   8.4372   4.4526   6.5138   4.7388   56.159   16.120   50.324   16.984 5.835217 23.41581 
1 1 1   22    7    6 o   73.055   11.299   14.512   3.6282   12.731   6.2931   15.398   4.4405   67.400   19.104   78.710   12.071 -11.31062 22.59794 
1 1 1   22    7    7 o   40.923   11.057   3.3083   2.8085   4.3105   4.8813   2.8123   3.4338   44.482   16.941   37.363   14.214 7.118748 22.11453 
1 1 1   22    7    8 o   43.940   11.276   4.5264   2.9497   4.4229   3.8178   4.6796   4.6463   42.930   15.207   44.951   16.653 -2.021145 22.55168 
1 1 1   22    7    9 f   51.390   11.850   7.0403   3.2751   7.6963   4.2597   6.0917   5.1221   53.565   15.880   49.216   17.594 4.349682 23.70074 
1 1 1   22    7   10 o   70.972   10.861   13.443   3.5034   11.596   4.8647   15.434   5.0496   65.417   16.036   76.527   14.653 -11.10961 21.72216 
1 1 1   22    7   11 o   40.105   10.451   3.3818   2.5068   2.6255   3.1385   4.7144   4.1662   35.957   13.611   44.253   15.863 -8.295902 20.90181 
1 1 1   22    7   12 o   64.946   10.785   11.423   3.5447   17.318   4.9386   5.1592   5.0909   83.047   12.724   46.845   17.417 36.20168 21.56969 
1 1 1   22    7   13 o   89.644   10.186   20.714   4.1542   18.365   5.7889   23.208   5.9651   83.360   15.427   95.929   13.305 -12.56955 20.37240 
1 1 1   22    7   14 o   92.983   12.823   23.079   5.2054   25.949   8.6811   21.468   6.5045   96.064   19.987   89.901   16.071 6.163406 25.64680 
1 1 1   22    7   15 o   83.007   13.082   19.860   5.0137   14.344   7.9020   23.576   6.4866   69.982   21.809   96.032   14.453 -26.04955 26.16378 
1 1 1   22    7   16 o   52.762   14.130   6.8796   4.7819   7.4175   6.9239   6.3891   6.6122   54.004   20.265   51.521   19.695 2.482189 28.25908 
1 1 1   22    7   17 o   44.600   12.700   2.8090   3.9830   7.3123   6.7350   0.3869   4.9394   53.157   19.979   36.043   15.684 17.11399 25.40031 
1 1 1   22    7   18 o   59.356   14.556   10.684   5.0219   4.8503   10.341   12.485   5.7447   52.698   22.813   66.014   18.086 -13.31633 29.11219 
1 1 1   22    7   19 o   63.736   13.900   10.863   4.4964   17.572   7.6369   7.3035   5.5628   75.837   20.884   51.635   18.349 24.20133 27.79965 
1 1 1   22    7   20 o   44.108   12.970   3.5488   4.1494   3.1893   7.6954   3.6961   4.9270   46.112   19.820   42.104   16.737 4.007862 25.94089 
1 1 1   22    7   21 o   88.427   14.651   23.736   5.8565   24.330   9.3165   23.347   7.5304   87.187   22.657   89.667   18.580 -2.480125 29.30159 
1 1 1   22    7   22 o  115.790   18.445   44.246   8.7528   50.349   17.753   42.286   10.061  108.976   32.443  122.605   17.558 -13.62903 36.88963 
1 1 1   22    7   23 o   62.641   16.172   12.581   5.4406   9.4483   15.796   13.003   5.7952   59.168   26.746   66.114   18.187 -6.946259 32.34347 
1 1 1   22    7   24 o   52.735   14.101   8.0986   4.5502   4.6442   10.022   8.9956   5.1069   50.112   22.059   55.358   17.572 -5.246075 28.20292 
1 1 1   22    7   25 o   75.642   15.691   17.704   5.2829   21.934   11.214   16.498   5.9892   76.094   26.122   75.189   17.390 0.9051590 31.38120 
1 1 1   22    7   26 o  102.644   17.030   36.227   7.8182   34.416   13.965   37.054   9.4354   91.709   29.053  113.579   17.775 -21.87029 34.05922 
1 1 1   22    7   27 o   86.931   15.498   24.410   6.2341   28.079   9.6677   21.800   8.1564   91.723   22.680   82.139   21.127 9.584045 30.99617 
1 1 1   22    7   28 f   63.709   15.800   14.035   5.6819   16.184   9.3180   12.763   7.1689   65.841   23.710   61.577   20.889 4.263489 31.59930 
1 1 1   22    7   29 o   92.243   14.706   26.629   5.8880   32.679   10.363   23.744   7.1552   96.185   23.299   88.301   17.950 7.884270 29.41180 
1 1 1   22    8    0 o   45.159   13.689   7.2088   4.1794   7.2088   4.1794   7.2088   4.1794   45.159   19.360   45.159   19.360 -0.000000 0.000000 
1 1 1   22    8    1 o   62.643   11.275   10.885   3.3836   13.244   4.5145   7.8619   5.1111   71.154   14.074   54.132   17.619 17.02195 22.55022 
1 1 1   22    8    2 o  119.270   14.746   41.660   6.7518   43.542   7.8520   36.322   13.226  131.679   12.759  106.860   26.590 24.81841 29.49288 
1 1 1   22    8    3 o   94.651   9.3141   22.823   4.0669   20.599   6.0329   24.676   5.5061   89.704   14.390   99.599   11.829 -9.894836 18.62815 
1 1 1   22    8    4 o  101.440   8.5163   26.346   3.9077   30.268   5.2215   21.353   5.8918  111.233   10.044   91.647   13.756 19.58694 17.03266 
1 1 1   22    8    5 f   74.057   9.1048   13.980   3.0632   13.999   4.1235   13.956   4.5756   75.007   11.763   73.106   13.900 1.901337 18.20956 
1 1 1   22    8    6 o   77.671   13.685   16.628   4.7527   15.487   5.8344   18.878   8.1939   75.274   16.988   80.068   21.461 -4.793129 27.37067 
1 1 1   22    8    7 o   52.708   15.124   5.5493   5.7145   8.3465   9.0984   3.7271   7.3436   57.713   22.806   47.704   19.870 10.00950 30.24772 
1 1 1   22    8    8 o   40.652   11.904   2.8971   2.6465  -2.0979   9.0898   3.3597   2.7664   43.707   19.964   37.597   12.970 6.109970 23.80772 
1 1 1   22    8    9 o   42.495   11.170   2.8362   2.4124   7.3263   5.6715   1.8444   2.6655   52.892   18.553   32.098   12.443 20.79373 22.33918 
1 1 1   22    8   10 o   86.740   11.110   20.168   4.2604   21.744   5.5245   17.856   6.6921   93.133   12.692   80.347   18.239 12.78615 22.22067 
1 1 1   22    8   11 f   75.062   12.170   14.531   4.1842   21.422   6.7011   10.127   5.3568   89.405   16.650   60.720   17.755 28.68584 24.34045 
1 1 1   22    8   12 o  105.423   10.662   28.369   5.1460   29.730   8.1916   27.482   6.6140  106.579   16.446  104.267   13.573 2.312469 21.32347 
1 1 1   22    8   13 o  106.904   11.297   29.547   5.5817   31.402   8.6420   28.219   7.3112  109.063   16.955  104.745   14.935 4.318550 22.59499 
1 1 1   22    8   14 o   87.914   12.631   21.314   5.0286   19.419   7.7062   22.719   6.6361   82.185   20.205   93.644   15.163 -11.45872 25.26234 
1 1 1   22    8   15 o   99.381   12.543   26.649   5.5768   28.941   8.9227   25.179   7.1441  100.866   19.635   97.895   15.615 2.970940 25.08685 
1 1 1   22    8   16 o  119.928   11.782   38.301   6.4674   41.023   10.335   36.549   8.2914  121.919   18.138  117.936   15.043 3.983719 23.56490 
1 1 1   22    8   17 o  155.356   13.231   67.960   9.5924   71.916   13.631   64.079   13.501  160.601   18.161  150.111   19.245 10.49060 26.46112 
1 1 1   22    8   18 o  103.191   12.775   30.181   5.8110   29.139   9.2963   30.849   7.4446   98.425   20.858  107.956   14.755 -9.530708 25.54939 
1 1 1   22    8   19 o   62.520   15.366   11.602   5.0064   12.967   10.484   11.199   5.6979   63.241   24.633   61.799   18.376 1.441734 30.73183 
1 1 1   22    8   20 o   60.382   15.537   8.3933   5.3072   20.006   10.274   4.1670   6.1982   75.712   24.997   45.052   18.459 30.66043 31.07344 
1 1 1   22    8   21 o  138.936   13.302   56.134   8.5093   49.163   12.359   62.418   11.733  127.897   20.677  149.974   16.740 -22.07668 26.60389 
1 1 1   22    8   22 o  111.185   15.205   29.676   7.0489   65.912   14.624   18.710   8.0451  146.226   21.400   76.145   21.606 70.08065 30.41020 
1 1 1   22    8   23 o   57.469   18.545   9.9256   5.6702   0.0000   0.0000   9.9256   5.6702  ?   ?    57.469   18.545      ?      ? 
1 1 1   22    8   24 o   97.183   14.885   25.578   6.7604   0.0000   0.0000   25.578   6.7604  ?   ?    97.183   14.885      ?      ? 
1 1 1   22    8   25 o   76.482   16.679   19.608   6.2504   22.823   11.257   18.175   7.5152   77.380   26.176   75.584   20.677 1.795143 33.35735 
1 1 1   22    8   26 o   87.927   15.868   26.829   6.7294   20.895   10.271   31.293   8.9077   74.663   25.004  101.191   19.543 -26.52853 31.73574 
1 1 1   22    8   27 o   71.090   14.920   17.187   5.2118   16.654   9.3569   17.427   6.2753   66.611   23.784   75.569   18.022 -8.957298 29.84040 
1 1 1   22    8   28 o   52.031   14.453   8.3975   4.8183   7.7286   10.063   8.5965   5.4883   51.541   22.408   52.521   18.261 -0.9799767 28.90598 
1 1 1   22    9    0 f   90.222   9.6511   21.005   5.3654   21.005   5.3654   21.005   5.3654   90.222   13.649   90.222   13.649 -0.000000 0.000000 
1 1 1   22    9    1 o  114.073   8.7059   32.652   4.5923   38.324   6.5659   27.220   6.4254  124.401   11.293  103.745   13.252 20.65671 17.41177 
1 1 1   22    9    2 o   64.825   11.390   11.921   3.4386   8.8663   5.6772   13.692   4.3214   56.886   18.571   72.763   13.194 -15.87732 22.78093 
1 1 1   22    9    3 o   40.379   10.140   3.3722   2.8538  -3.2619   5.0632   6.4609   3.4548   31.210   14.486   49.548   14.193 -18.33832 20.28012 
1 1 1   22    9    4 o   56.169   11.200   8.8301   3.1393   6.0452   5.1669   10.460   3.9524   49.179   17.662   63.160   13.778 -13.98095 22.40001 
1 1 1   22    9    5 o   69.853   13.716   12.947   4.4921   10.434   5.5525   17.707   7.6425   61.382   18.113   78.324   20.602 -16.94211 27.43198 
1 1 1   22    9    6 o   72.947   13.411   14.959   4.5860   15.092   6.0485   14.779   7.0337   74.042   17.717   71.852   20.138 2.189667 26.82156 
1 1 1   22    9    7 o   79.232   11.368   16.342   3.9798   18.992   6.4683   14.728   5.0486   83.755   17.103   74.708   14.981 9.046501 22.73652 
1 1 1   22    9    8 o   78.728   14.121   19.936   5.0625   10.364   11.176   22.407   5.6786   62.938   25.146   94.519   12.855 -31.58149 28.24167 
1 1 1   22    9    9 o   63.906   16.254   10.200   6.2886   17.805   10.060   5.3225   8.0569   76.007   24.717   51.806   21.115 24.20095 32.50798 
1 1 1   22    9   10 o   55.774   14.274   7.9248   4.6881   6.8092   5.9855   9.6954   7.5406   52.005   18.962   59.543   21.341 -7.537708 28.54804 
1 1 1   22    9   11 o   75.216   18.092   15.508   6.3194   13.932   6.9563   22.950   15.118   69.590   20.199   80.842   30.022 -11.25233 36.18460 
1 1 1   22    9   12 o   82.705   13.086   18.941   5.4169   8.5038   7.3881   31.075   7.9658   56.446   20.982  108.965   15.642 -52.51935 26.17139 
1 1 1   22    9   13 o   60.551   14.583   10.628   5.1079   13.230   6.8363   7.3380   7.6854   67.126   20.167   53.977   21.071 13.14966 29.16669 
1 1 1   22    9   14 o   61.540   14.393   11.160   4.9745   13.989   6.8115   7.9258   7.2821   68.675   20.004   54.404   20.699 14.27169 28.78540 
1 1 1   22    9   15 o   80.543   15.356   19.803   5.8958   17.277   7.8659   23.043   8.9064   74.832   21.409   86.253   22.019 -11.42047 30.71166 
1 1 1   22    9   16 o   45.932   13.512   3.9624   4.8046   4.7117   6.6124   3.1244   6.9929   46.983   19.137   44.881   19.081 2.101074 27.02373 
1 1 1   22    9   17 o   54.124   14.500   8.1726   5.0368   7.6625   6.9636   8.7322   7.2940   52.953   20.219   55.294   20.790 -2.341801 29.00047 
1 1 1   22    9   18 o   62.764   14.640   11.746   5.3474   6.1967   7.4753   17.562   7.6527   50.414   20.416   75.115   20.988 -24.70099 29.27995 
1 1 1   22    9   19 o   83.029   14.167   21.028   6.1289   10.155   8.4715   32.968   8.8780   57.809   22.246  108.250   17.549 -50.44082 28.33430 
1 1 1   22    9   20 o   72.074   15.208   16.637   6.0326   8.9301   8.4492   24.650   8.6159   55.296   21.937   88.852   21.068 -33.55546 30.41579 
1 1 1   22    9   21 o   70.575   18.446   18.928   8.2003   21.465   11.048   15.816   12.236   75.790   25.931   65.359   26.242 10.43134 36.89240 
1 1 1   22    9   22 o   58.459   16.964   10.787   7.5086   13.415   10.421   7.9497   10.828   62.260   24.469   54.659   23.502 7.601418 33.92786 
1 1 1   22    9   24 o   68.164   18.427   16.723   8.9098   6.4155   12.355   27.892   12.861   53.603   23.989   82.725   27.979 -29.12142 36.85491 
1 1 1   22    9   25 o   55.533   16.534   5.7856   6.6662   0.3011   7.7860   20.846   12.902   41.066   18.649   70.001   27.309 -28.93520 33.06890 
1 1 1   22    9   26 o   42.541   13.193   2.7427   5.0325   2.0740   7.3813   3.3235   6.8791   42.042   18.698   43.039   18.619 -0.9969902 26.38677 
1 1 1   22    9   27 o   49.292   14.001   7.1763   4.9486   6.2241   7.3246   7.9760   6.7121   47.814   19.874   50.770   19.727 -2.956055 28.00261 
1 1 1   22   10    0 o   65.342   11.850   12.210   4.4238   12.210   4.4238   12.210   4.4238   65.342   16.759   65.342   16.759 -0.000000 0.000000 
1 1 1   22   10    1 o  129.674   8.8458   42.042   5.3497   45.274   7.6047   38.875   7.5271  134.907   12.062  124.441   12.943 10.46628 17.69165 
1 1 1   22   10    2 f   82.672   9.7541   17.965   3.4954   26.482   5.0627   10.206   4.8318  103.981   10.418   61.364   16.493 42.61674 19.50823 
1 1 1   22   10    3 o   65.005   10.282   11.145   3.0436   11.291   4.4001   11.010   4.2144   65.321   14.761   64.689   14.318 0.6313629 20.56466 
1 1 1   22   10    4 f   74.960   10.150   14.051   3.4473   11.072   4.4648   18.449   5.4248   64.517   15.078   85.402   13.592 -20.88518 20.30000 
1 1 1   22   10    5 o   91.703   10.175   21.888   4.1498   22.829   5.4177   20.552   6.4550   95.734   12.109   87.672   16.356 8.062119 20.35014 
1 1 1   22   10    6 o   60.584   9.9395   9.7432   2.7249   9.1530   4.3013   10.139   3.5217   58.396   15.502   62.771   12.444 -4.375488 19.87894 
1 1 1   22   10    7 o   41.630   9.9018   4.0353   2.5919  -0.1179   4.1313   6.7314   3.3285   32.658   14.275   50.602   13.727 -17.94366 19.80367 
1 1 1   22   10    8 o   43.869   10.274   4.6931   2.9553  -2.4494   5.2927   7.9287   3.5623   33.002   15.134   54.736   13.900 -21.73435 20.54844 
1 1 1   22   10    9 o   45.004   13.761   1.5843   5.4335  -1.7847   8.0011   4.4677   7.4021   41.295   18.811   48.714   20.090 -7.419426 27.52248 
1 1 1   22   10   10 o  122.631   20.181   51.413   11.394   56.933   16.096   45.869   16.131  131.963   27.008  113.299   29.993 18.66485 40.36105 
1 1 1   22   10   11 o   80.588   15.793   20.927   6.1764   17.139   10.719   22.809   7.5572   71.718   25.472   89.458   18.679 -17.73977 31.58646 
1 1 1   22   10   12 o   72.948   15.034   17.296   5.7038   20.363   7.0511   11.491   9.7016   84.324   18.409   61.571   23.775 22.75334 30.06836 
1 1 1   22   10   13 o   68.217   15.516   13.437   5.5511   9.4476   6.9531   20.451   9.2186   56.997   20.486   79.438   23.309 -22.44108 31.03239 
1 1 1   22   10   14 o   59.208   13.268   9.6885   4.5746   3.7244   6.3848   15.980   6.5577   44.782   18.580   73.634   18.946 -28.85129 26.53612 
1 1 1   22   10   15 o   72.538   13.884   15.732   5.0263   21.511   7.2992   10.521   6.9314   85.937   18.705   59.139   20.524 26.79802 27.76871 
1 1 1   22   10   16 o  125.199   13.340   45.168   7.5563   51.199   10.749   39.276   10.625  136.040   16.906  114.359   20.639 21.68111 26.67940 
1 1 1   22   10   17 o   55.907   14.159   8.9642   4.7602   12.111   7.0531   6.3320   6.4511   62.363   20.717   49.450   19.305 12.91302 28.31721 
1 1 1   22   10   18 o   55.588   13.478   9.0564   4.7441   2.6040   7.3901   13.580   6.1874   44.145   19.197   67.031   18.923 -22.88653 26.95573 
1 1 1   22   10   19 o   86.717   16.364   25.506   6.5612   24.373   11.952   25.994   7.8498   79.490   26.971   93.944   18.538 -14.45329 32.72725 
1 1 1   22   10   20 o  109.984   16.745   49.109   9.2843   21.384   16.280   62.471   11.302   69.801   29.364  150.168   16.105 -80.36743 33.49029 
1 1 1   22   10   21 o  108.826   19.990   44.605   10.248   49.683   15.173   40.345   13.898  114.774   28.433  102.878   28.107 11.89609 39.98092 
1 1 1   22   10   22 o  109.424   16.701   39.944   8.2556   40.797   10.570   38.609   13.219  117.175   19.303  101.673   27.261 15.50188 33.40286 
1 1 1   22   10   23 o   56.583   16.181   10.205   6.5204   8.8020   11.625   10.849   7.8761   55.340   24.072   57.826   21.631 -2.486229 32.36250 
1 1 1   22   10   24 o  110.655   17.164   37.984   8.0198   59.005   15.182   29.848   9.4452  126.238   26.574   95.071   21.732 31.16702 34.32842 
1 1 1   22   10   25 o   80.731   14.187   20.708   5.3312   26.125   8.1940   16.732   7.0203   90.346   19.940   71.115   20.184 19.23026 28.37306 
1 1 1   22   10   26 o   54.501   14.545   9.2271   4.7998   12.604   8.4591   7.6233   5.8290   59.050   22.347   49.952   18.624 9.098766 29.09010 
1 1 1   22   11    0 o   23.411   10.496   0.7409   3.5141   0.7409   3.5141   0.7409   3.5141   23.411   14.843   23.411   14.843 -0.000000 0.000000 
1 1 1   22   11    1 o   76.311   9.3659   15.058   3.2490   13.822   4.6829   16.205   4.5114   72.243   14.376   80.380   12.009 -8.137199 18.73186 
1 1 1   22   11    2 o  111.646   8.4928   31.236   4.4230   33.933   6.3746   28.733   6.1420  116.476   11.711  106.816   12.303 9.659760 16.98561 
1 1 1   22   11    3 o  147.456   10.029   54.797   6.8248   47.584   8.8464   65.403   10.727  136.014   13.917  158.899   14.444 -22.88509 20.05780 
1 1 1   22   11    4 o   67.754   10.532   12.188   3.2383   10.425   4.3416   14.398   4.8616   62.050   15.112   73.458   14.675 -11.40808 21.06453 
1 1 1   22   11    5 o   42.631   10.113   4.5275   2.3335   5.1983   3.7281   4.0955   2.9920   44.874   15.064   40.387   13.496 4.487614 20.22561 
1 1 1   22   11    6 o   61.495   9.6766   9.7685   2.6636   11.697   4.2788   8.5483   3.4034   66.120   14.265   56.870   13.078 9.249901 19.35311 
1 1 1   22   11    7 o  101.838   9.8049   26.699   4.6400   25.200   6.1820   28.634   7.0220   98.939   13.370  104.736   14.346 -5.796799 19.60983 
1 1 1   22   11    8 o   47.775   10.878   6.0641   2.9303   8.4082   3.9717   3.2636   4.3412   55.446   14.975   40.105   15.783 15.34051 21.75685 
1 1 1   22   11    9 o   54.326   13.345   6.2625   4.2145   2.1336   5.1410   14.723   7.3593   39.405   16.535   69.247   20.951 -29.84214 26.68991 
1 1 1   22   11   10 o   52.928   13.421   7.8907   4.3643   9.7906   5.4849   4.6120   7.2053   58.195   18.176   47.662   19.753 10.53365 26.84287 
1 1 1   22   11   11 o   46.137   13.521   4.3243   4.4619   5.1820   5.1058   1.5529   9.1781   45.846   17.359   46.428   20.734 -0.5823708 27.04141 
1 1 1   22   11   12 o   95.416   16.218   27.884   6.8259   33.049   11.903   25.353   8.3320   98.518   25.614   92.314   19.899 6.204384 32.43526 
1 1 1   22   11   13 o   82.544   13.018   19.692   5.0797   13.765   6.9889   26.329   7.3960   66.790   20.461   98.298   16.099 -31.50824 26.03547 
1 1 1   22   11   14 o   81.020   15.629   19.422   5.8489   15.349   7.1474   27.677   10.176   70.320   20.493   91.720   23.602 -21.40040 31.25781 
1 1 1   22   11   15 o   39.397   12.014   1.6254   4.0284   2.1815   5.7349   1.0837   5.6599   40.405   17.231   38.389   16.746 2.015568 24.02753 
1 1 1   22   11   16 o   53.406   14.674   7.0608   4.9022   12.436   8.9462   4.7541   5.8603   61.482   23.043   45.329   18.174 16.15247 29.34756 
1 1 1   22   11   17 o   80.409   16.394   20.842   6.1585   25.185   11.104   18.913   7.4012   82.790   25.862   78.029   20.154 4.760925 32.78746 
1 1 1   22   11   18 o  104.653   17.086   39.926   8.2362   30.130   14.482   44.609   10.013   83.602   29.617  125.703   17.045 -42.10128 34.17121 
1 1 1   22   11   19 o   52.143   14.858   6.6270   6.1618  -1.5196   9.6407   12.253   8.0118   43.052   19.985   61.234   21.993 -18.18154 29.71677 
1 1 1   22   11   20 o   55.007   14.743   9.2001   5.2519   10.324   7.0349   7.7849   7.8936   57.466   20.612   52.547   21.084 4.919289 29.48530 
1 1 1   22   11   21 o   63.286   13.431   12.786   5.3387   20.631   6.9365   1.3865   8.3620   82.995   18.369   43.577   19.601 39.41840 26.86272 
1 1 1   22   11   22 o   81.217   17.107   24.500   6.9482   24.986   8.4307   23.470   12.268   87.984   20.826   74.450   27.146 13.53400 34.21463 
1 1 1   22   11   23 o   72.763   28.450   25.466   14.026   25.466   14.026   0.0000   0.0000   72.763   28.450  ?   ?       ?      ? 
1 1 1   22   11   24 o   41.830   19.753  -2.0003   10.124  -2.0003   10.124   0.0000   0.0000   41.830   19.753  ?   ?       ?      ? 
1 1 1   22   12    0 o   41.446   13.046   6.2529   3.7862   6.2529   3.7862   6.2529   3.7862   41.446   18.451   41.446   18.451 -0.000000 0.000000 
1 1 1   22   12    1 o   62.642   10.050   10.656   2.8746   9.8028   4.1933   11.413   3.9482   59.741   15.032   65.543   13.343 -5.801228 20.09943 
1 1 1   22   12    2 o   53.966   11.222   8.2622   3.0762   9.5783   3.9873   6.3269   4.8352   59.304   14.506   48.629   17.125 10.67527 22.44337 
1 1 1   22   12    3 o   64.347   12.376   11.620   3.8719   15.290   5.8306   8.7246   5.1785   73.337   17.293   55.357   17.708 17.97997 24.75132 
1 1 1   22   12    4 o  123.347   10.092   40.945   5.5869   45.369   7.2972   34.678   8.6850  133.879   11.663  112.815   16.472 21.06420 20.18315 
1 1 1   22   12    5 o   64.699   9.5447   10.911   2.7719   13.437   4.3007   9.1155   3.6254   71.145   13.427   58.252   13.569 12.89267 19.08938 
1 1 1   22   12    6 o  108.335   10.847   32.623   5.0664   37.475   6.6495   25.908   7.8225  121.579   11.703   95.091   18.266 26.48826 21.69325 
1 1 1   22   12    7 o  137.239   10.023   49.228   6.3241   47.758   8.2068   51.377   9.9228  136.042   12.908  138.436   15.337 -2.394302 20.04605 
1 1 1   22   12    8 o   90.281   10.882   22.240   4.2906   22.767   5.4317   21.365   6.9969   94.275   12.328   86.286   17.936 7.989494 21.76440 
1 1 1   22   12    9 o   58.617   13.021   9.8567   4.0702   7.0320   5.5509   13.142   5.9860   50.576   18.288   66.657   18.541 -16.08097 26.04203 
1 1 1   22   12   10 o   96.519   14.775   29.723   6.3812   33.216   7.9895   23.570   10.605  110.941   15.409   82.098   25.213 28.84317 29.54938 
1 1 1   22   12   11 o   86.393   15.268   24.347   6.1325   26.493   7.6976   20.620   10.146   96.093   17.796   76.693   24.814 19.39928 30.53546 
1 1 1   22   12   12 o   73.633   15.749   17.184   5.6164   16.009   6.7837   19.744   10.014   72.417   19.576   74.850   24.676 -2.433319 31.49845 
1 1 1   22   12   13 o   80.673   18.104   23.784   7.6548   24.142   9.7851   23.218   12.289   84.254   23.801   77.092   27.285 7.161827 36.20703 
1 1 1   22   12   14 o   51.700   13.993   6.6067   4.7898   11.804   7.5449   3.0980   6.1992   60.722   21.392   42.678   18.046 18.04434 27.98649 
1 1 1   22   12   15 o   60.337   15.409   11.311   5.9721   17.008   8.3903   5.4608   8.5025   71.175   22.516   49.498   21.042 21.67668 30.81778 
1 1 1   22   12   16 o   63.351   15.396   12.512   6.1548   20.390   8.6950   4.5993   8.7134   78.197   22.550   48.504   20.969 29.69295 30.79294 
1 1 1   22   12   17 o   42.893   12.864   3.1797   4.4471   4.1981   5.5719   1.3924   7.3814   43.602   17.637   42.184   18.732 1.417301 25.72842 
1 1 1   22   12   18 o   50.868   14.001   6.5211   4.6963   4.0128   5.9217   10.773   7.7099   43.658   17.983   58.077   21.465 -14.41932 28.00250 
1 1 1   22   12   19 o   85.423   16.364   25.876   6.8595   29.054   8.9156   21.267   10.739   96.336   20.436   74.509   25.563 21.82745 32.72749 
1 1 1   22   12   20 o   48.442   12.851   5.8497   4.5320  -1.1110   6.8595   11.242   6.0374   37.355   17.166   59.530   19.129 -22.17514 25.70201 
1 1 1   22   12   21 o   51.929   13.833   8.4074   4.5647   8.6071   6.6967   8.2341   6.2386   52.308   19.862   51.550   19.258 0.7582893 27.66512 
1 1 1   22   12   22 o   61.845   13.890   12.839   5.0875   5.8718   7.5378   18.669   6.8949   47.397   19.962   76.292   19.318 -28.89471 27.77906 
1 1 1   22   13    0 o   85.804   11.872   20.305   5.9956   20.305   5.9956   20.305   5.9956   85.804   16.790   85.804   16.790 -0.000000 0.000000 
1 1 1   22   13    1 o   64.164   9.8551   11.146   2.8709   10.788   4.0518   11.507   4.0685   62.997   14.112   65.332   13.760 -2.335148 19.71018 
1 1 1   22   13    2 o  104.417   9.5016   28.479   4.5592   28.495   5.9575   28.455   7.0831  105.510   12.082  103.324   14.668 2.185219 19.00325 
1 1 1   22   13    3 o  109.308   8.1632   30.331   4.1643   31.007   6.0756   29.732   5.7188  110.266   11.790  108.349   11.294 1.916931 16.32636 
1 1 1   22   13    4 o  110.568   11.443   35.120   5.3609   41.803   7.0380   25.883   8.2741  128.016   11.764   93.121   19.631 34.89507 22.88563 
1 1 1   22   13    5 o   77.228   8.8856   15.716   3.0625   14.501   4.6904   16.619   4.0434   73.137   14.235   81.320   10.639 -8.182320 17.77125 
1 1 1   22   13    6 o   79.180   11.258   18.840   3.9495   23.374   5.0719   11.857   6.2950   95.969   11.308   62.391   19.470 33.57861 22.51534 
1 1 1   22   13    7 o  163.120   11.212   71.308   8.3715   65.404   10.660   80.805   13.521  156.331   14.591  169.910   17.028 -13.57808 22.42406 
1 1 1   22   13    8 o   98.189   10.882   26.492   4.6847   26.986   5.9681   25.698   7.5614  102.081   12.510   94.298   17.810 7.783325 21.76474 
1 1 1   22   13    9 o  120.597   10.128   38.206   5.5678   35.884   7.0617   42.021   9.0520  117.286   12.883  123.908   15.631 -6.621880 20.25624 
1 1 1   22   13   10 o   37.936   16.145   1.8201   5.0161   0.0000   0.0000   1.8201   5.0161  ?   ?    37.936   16.145      ?      ? 
1 1 1   22   13   11 o  106.212   17.252   31.958   8.5634   0.0000   0.0000   31.958   8.5634  ?   ?   106.212   17.252      ?      ? 
1 1 1   22   13   12 o   61.360   15.503   12.312   5.6656   10.839   8.2695   13.615   7.7779   58.327   22.090   64.393   21.758 -6.065311 31.00622 
1 1 1   22   13   13 o   68.992   22.617   16.069   8.4169   16.069   8.4169   0.0000   0.0000   68.992   22.617  ?   ?       ?      ? 
1 1 1   22   13   14 o   69.829   23.303   16.853   8.9208   16.853   8.9208   0.0000   0.0000   69.829   23.303  ?   ?       ?      ? 
1 1 1   22   13   15 o   56.354   18.950   9.6507   5.8992   9.6507   5.8992   0.0000   0.0000   56.354   18.950  ?   ?       ?      ? 
1 1 1   22   13   16 f   56.993   15.082   10.374   5.3938   10.600   7.0360   10.053   8.4001   57.704   20.622   56.282   22.013 1.422199 30.16383 
1 1 1   22   13   17 o   63.618   15.887   13.973   5.8366   12.878   7.6819   15.467   8.9769   61.696   21.595   65.540   23.307 -3.844158 31.77362 
1 1 1   22   13   18 o  160.165   14.407   81.095   10.743   76.507   15.375   85.472   15.017  153.519   21.429  166.812   19.263 -13.29378 28.81417 
1 1 1   22   13   19 o   83.863   14.668   23.480   5.7508   20.963   8.4238   25.677   7.8701   77.302   22.168   90.425   19.215 -13.12273 29.33671 
1 1 1   22   13   20 o   60.592   14.333   12.232   4.7541   14.239   7.1792   10.664   6.3446   64.281   20.879   56.904   19.642 7.376938 28.66620 
1 1 1   22   14    0 f   96.761   7.9604   23.668   4.9110   23.668   4.9110   23.668   4.9110   96.761   11.258   96.761   11.258 -0.000000 0.000000 
1 1 1   22   14    1 o  158.440   11.352   70.446   8.0428   75.014   10.331   63.417   12.815  169.218   13.063  147.661   18.570 21.55682 22.70431 
1 1 1   22   14    2 o  110.855   9.9035   32.686   5.0277   32.608   6.5235   32.799   7.8903  112.116   12.450  109.594   15.405 2.522408 19.80708 
1 1 1   22   14    3 o  138.902   8.4587   49.580   5.4707   55.368   7.9031   44.256   7.5804  147.168   11.491  130.636   12.416 16.53181 16.91736 
1 1 1   22   14    4 o   87.642   9.5088   19.259   3.6441   23.305   6.6152   17.497   4.3664   92.430   15.314   82.854   11.276 9.576492 19.01767 
1 1 1   22   14    5 o  126.103   11.123   44.720   6.2366   48.921   8.0436   38.387   9.8753  137.172   12.547  115.035   18.369 22.13705 22.24504 
1 1 1   22   14    6 o   96.153   11.517   25.915   5.0074   26.326   6.7122   25.400   7.5195   98.929   14.518   93.377   17.882 5.551559 23.03325 
1 1 1   22   14    7 o  106.226   11.731   31.393   5.3758   19.448   7.2316   46.147   8.0372   79.689   19.562  132.763   12.954 -53.07406 23.46211 
1 1 1   22   14    8 o  110.129   11.424   33.631   5.8515   33.502   7.9214   33.786   8.6811  110.793   15.298  109.464   16.969 1.329590 22.84724 
1 1 1   22   14    9 o   65.342   12.037   13.027   3.8939   16.439   5.1457   8.4549   5.9564   77.208   14.799   53.475   18.989 23.73333 24.07445 
1 1 1   22   14   10 o   94.118   27.646   34.052   12.961   0.0000   0.0000   34.052   12.961  ?   ?    94.118   27.646      ?      ? 
1 1 1   22   14   11 o   89.209   18.559   29.775   8.8496   42.113   12.970   19.029   12.105  108.943   25.862   69.475   26.626 39.46805 37.11843 
1 1 1   22   14   12 o   80.537   15.577   21.538   5.9006   21.500   7.2727   21.611   10.094   84.214   18.938   76.859   24.738 7.354866 31.15437 
1 1 1   22   14   13 o   67.969   13.285   16.304   5.4103   22.929   6.6138   2.9018   9.4063   89.385   16.438   46.553   20.876 42.83157 26.57086 
1 1 1   22   14   14 f   37.050   11.899  -0.1341   4.3052   0.6076   5.2255  -1.7014   7.5963   35.816   15.839   38.283   17.760 -2.466839 23.79736 
1 1 1   22   14   15 o   45.097   13.238   4.9341   4.5624   6.5255   5.2468  -0.0002   9.2389   47.576   17.683   42.618   19.706 4.958076 26.47657 
1 1 1   22   14   16 o   52.834   13.961   9.1938   5.0139   11.668   5.8457   2.3076   9.7519   60.353   18.750   45.314   20.691 15.03902 27.92288 
1 1 1   22   14   17 o   37.520   11.979   0.4231   4.4033   1.4931   5.4908  -1.5048   7.3705   37.483   16.418   37.557   17.448 -0.7405090E-01 23.95775 
1 1 1   22   15    0 o  127.990   8.9412   41.530   7.3942   41.530   7.3942   41.530   7.3942  127.990   12.645  127.990   12.645 -0.000000 0.000000 
1 1 1   22   15    1 o   88.533   11.163   21.698   4.4927   18.439   6.1316   25.476   6.6017   79.907   16.944   97.160   14.539 -17.25298 22.32691 
1 1 1   22   15    2 o   91.810   9.3569   21.789   3.9655   25.185   6.2328   19.479   5.1401   97.320   13.704   86.299   12.744 11.02111 18.71390 
1 1 1   22   15    3 o   64.480   10.256   12.114   3.0687   8.3174   4.8821   14.594   3.9456   53.330   17.208   75.629   11.163 -22.29857 20.51182 
1 1 1   22   15    4 o   79.225   11.639   18.649   4.2486   24.356   5.7957   12.019   6.2463   96.339   12.873   62.112   19.396 34.22719 23.27897 
1 1 1   22   15    5 o   77.028   14.665   19.387   5.0901   19.773   5.8674   18.213   10.234   83.993   15.519   70.064   24.888 13.92902 29.33038 
1 1 1   22   15    6 o   55.536   14.098   8.6685   3.9821   8.1135   4.4046   11.152   9.3175   52.938   16.248   58.134   23.045 -5.195831 28.19680 
1 1 1   22   15    7 o   89.522   15.927   28.012   6.6891   29.765   8.0402   24.071   12.056  102.204   16.833   76.840   27.044 25.36349 31.85438 
1 1 1   22   15    8 o   42.672   11.975   4.4211   3.5817   6.0355   3.9820  -2.4181   8.1958   46.381   15.569   38.962   18.200 7.419067 23.95033 
1 1 1   22   15    9 o   70.103   12.578   17.876   4.5317   21.093   5.1241   6.3260   9.7094   89.693   12.224   50.514   21.986 39.17942 25.15572 
1 1 1   22   15   10 o   56.844   16.012   10.651   6.5395   6.5215   9.0261   15.213   9.4876   49.974   21.472   63.715   23.759 -13.74037 32.02400 
1 1 1   22   15   11 o   44.883   13.324   4.7599   4.5458   2.0206   8.9777   5.7044   5.2715   44.214   20.058   45.551   17.543 -1.336864 26.64729 
1 1 1   22   15   12 o   53.416   13.351   8.8931   4.1948   10.986   6.1382   7.0595   5.7459   58.083   19.328   48.749   18.425 9.334106 26.70300 
1 1 1   22   15   13 o  100.368   13.312   31.273   6.0566   36.308   8.5382   26.173   8.5927  112.060   16.303   88.676   21.049 23.38425 26.62449 
1 1 1   22   16    0 o   64.582   17.264   15.385   6.9078   15.385   6.9078   15.385   6.9078   64.582   24.414   64.582   24.414 -0.000000 0.000000 
1 1 1   22   16    1 o   39.521   16.232   3.2439   4.8076   3.2439   4.8076   0.0000   0.0000   39.521   16.232  ?   ?       ?      ? 
1 1 1   22   16    2 o  100.368   12.592   30.243   5.0704   30.638   5.9978   29.252   9.4919  108.075   11.875   92.662   22.208 15.41247 25.18348 
1 1 1   22   16    3 o   64.564   12.558   13.280   4.0131   15.441   5.2708   10.299   6.1902   72.731   15.946   56.396   19.405 16.33446 25.11649 
1 1 1   22   16    4 o   96.726   11.948   24.602   5.4012   24.602   5.4012   0.0000   0.0000   96.726   11.948  ?   ?       ?      ? 
1 1 1   22   16    5 o   49.900   14.772   7.1805   3.6882   7.1805   3.6882   0.0000   0.0000   49.900   14.772  ?   ?       ?      ? 
1 1 1   22   16    6 o   63.046   12.901   11.950   3.6877   11.259   4.2661   13.994   7.3345   62.599   14.813   63.492   21.127 -0.8927879 25.80297 
1 1 1   22   16    7 o   50.778   12.764   6.1582   3.2624   4.3904   3.6758   12.718   7.0807   40.686   14.856   60.869   20.759 -20.18350 25.52713 
1 1 1   22   16    8 o   37.765   11.268   2.2778   3.0291   1.7653   3.5034   3.7957   6.0293   33.216   13.770   42.315   17.839 -9.098598 22.53572 
1 1 1   23    0    1 o  123.758   7.7490   37.552   6.2241   37.552   6.2241   37.552   6.2241  123.758   10.959  123.758   10.959 -0.000000 0.000000 
1 1 1   23    0    2 o  227.814   9.9285  127.924   14.819  127.924   14.819  127.924   14.819  227.814   14.041  227.814   14.041 -0.000000 0.000000 
1 1 1   23    0    3 o   91.835   8.5358   21.293   4.9327   21.293   4.9327   21.293   4.9327   91.835   12.071   91.835   12.071 -0.000000 0.000000 
1 1 1   23    0    4 o   41.449   12.856   6.0911   3.6781   6.0911   3.6781   6.0911   3.6781   41.449   18.180   41.449   18.180 -0.000000 0.000000 
1 1 1   23    0    5 o   86.389   8.8293   19.052   4.7350   19.052   4.7350   19.052   4.7350   86.389   12.486   86.389   12.486 -0.000000 0.000000 
1 1 1   23    0    6 o  163.988   9.7658   66.904   10.412   66.904   10.412   66.904   10.412  163.988   13.811  163.988   13.811 -0.000000 0.000000 
1 1 1   23    0    7 o   47.606   15.029   8.3045   5.0239   8.3045   5.0239   8.3045   5.0239   47.606   21.254   47.606   21.254 -0.000000 0.000000 
1 1 1   23    0    8 o   46.159   16.897   8.4528   6.6481   8.4528   6.6481   8.4528   6.6481   46.159   23.895   46.159   23.895 -0.000000 0.000000 
1 1 1   23    0    9 o   23.314   11.365  -3.5210   5.8300  -3.5210   5.8300  -3.5210   5.8300   23.314   16.073   23.314   16.073 -0.000000 0.000000 
1 1 1   23    0   10 o   83.127   10.754   18.518   5.3237   18.518   5.3237   18.518   5.3237   83.127   15.208   83.127   15.208 -0.000000 0.000000 
1 1 1   23    0   11 f   25.534   12.121  -1.3348   5.7682  -1.3348   5.7682  -1.3348   5.7682   25.534   17.141   25.534   17.141 -0.000000 0.000000 
1 1 1   23    0   12 o   77.880   11.464   16.748   5.2029   16.748   5.2029   16.748   5.2029   77.880   16.212   77.880   16.212 -0.000000 0.000000 
1 1 1   23    0   13 o  122.496   12.194   39.926   9.3102   39.926   9.3102   39.926   9.3102  122.496   17.245  122.496   17.245 -0.000000 0.000000 
1 1 1   23    0   14 o   46.743   16.554   8.8079   6.2573   8.8079   6.2573   8.8079   6.2573   46.743   23.410   46.743   23.410 -0.000000 0.000000 
1 1 1   23    0   15 o   64.306   15.420   13.669   5.8700   13.669   5.8700   13.669   5.8700   64.306   21.808   64.306   21.808 -0.000000 0.000000 
1 1 1   23    0   16 o  141.798   11.806   52.882   10.662   52.882   10.662   52.882   10.662  141.798   16.696  141.798   16.696 -0.000000 0.000000 
1 1 1   23    0   17 o  192.442   10.941   94.979   13.710   94.979   13.710   94.979   13.710  192.442   15.474  192.442   15.474 -0.000000 0.000000 
1 1 1   23    0   18 o   59.857   14.218   11.726   5.0233   11.726   5.0233   11.726   5.0233   59.857   20.107   59.857   20.107 -0.000000 0.000000 
1 1 1   23    0   19 o   60.703   13.872   11.848   4.9178   11.848   4.9178   11.848   4.9178   60.703   19.618   60.703   19.618 -0.000000 0.000000 
1 1 1   23    0   20 o   78.598   14.413   18.653   6.4704   18.653   6.4704   18.653   6.4704   78.598   20.383   78.598   20.383 -0.000000 0.000000 
1 1 1   23    0   21 o   24.085   10.993   0.5367   4.0743   0.5367   4.0743   0.5367   4.0743   24.085   15.547   24.085   15.547 -0.000000 0.000000 
1 1 1   23    0   22 o   39.996   17.653   5.7412   9.5289   5.7412   9.5289   5.7412   9.5289   39.996   24.966   39.996   24.966 -0.000000 0.000000 
1 1 1   23    0   24 o   66.749   17.923   16.604   7.4293   16.604   7.4293   16.604   7.4293   66.749   25.347   66.749   25.347 -0.000000 0.000000 
1 1 1   23    0   25 o   23.514   10.747   0.5822   3.9120   0.5822   3.9120   0.5822   3.9120   23.514   15.199   23.514   15.199 -0.000000 0.000000 
1 1 1   23    1    0 o   88.665   9.3385   20.181   5.1151   20.181   5.1151   20.181   5.1151   88.665   13.207   88.665   13.207 -0.000000 0.000000 
1 1 1   23    1    1 f   91.828   8.2504   20.968   3.5158   18.169   4.9501   23.817   4.9944   85.272   12.421   98.384   10.862 -13.11259 16.50078 
1 1 1   23    1    2 o  101.773   8.1555   25.656   3.8465   29.962   5.5403   21.649   5.3447  110.404   10.737   93.142   12.278 17.26162 16.31092 
1 1 1   23    1    3 o   58.416   11.573   9.3460   3.2582   9.9457   4.1271   8.3540   5.3081   61.249   14.621   55.583   17.944 5.666000 23.14633 
1 1 1   23    1    4 o   53.688   11.635   7.6715   3.1149   7.6474   3.8706   7.7158   5.2474   53.625   14.906   53.750   17.870 -0.1248055 23.27054 
1 1 1   23    1    5 o   33.657   10.677  -1.1657   3.1345  -1.8818   3.7048   0.6384   5.8802   27.875   12.738   39.439   17.138 -11.56381 21.35308 
1 1 1   23    1    6 o   68.888   11.435   12.917   3.6271   11.581   5.1914   14.191   5.0698   64.907   16.935   72.870   15.370 -7.963722 22.87033 
1 1 1   23    1    7 o   53.874   11.138   8.8726   3.4996  -1.8425   7.3693   11.993   3.9766   39.778   18.094   67.970   12.992 -28.19254 22.27551 
1 1 1   23    1    8 o   49.773   10.476   6.7765   2.6666   4.8928   4.3294   7.9279   3.3848   44.748   16.155   54.798   13.342 -10.05000 20.95205 
1 1 1   23    1    9 o   68.055   10.489   11.849   3.1073   14.670   5.3878   10.443   3.8037   73.164   16.186   62.946   13.344 10.21725 20.97711 
1 1 1   23    1   10 f   51.169   11.137   7.1686   2.8766   6.4660   4.8884   7.5408   3.5578   49.371   17.230   52.967   14.117 -3.595150 22.27438 
1 1 1   23    1   11 o   62.570   12.126   10.864   3.6836   13.901   5.5387   8.4560   4.9326   70.244   17.045   54.896   17.251 15.34783 24.25147 
1 1 1   23    1   12 o   65.943   13.891   13.044   4.7689   16.555   6.6454   9.3175   6.8476   75.168   18.928   56.719   20.336 18.44839 27.78193 
1 1 1   23    1   13 o  101.781   15.899   32.401   7.0035   32.849   8.4091   31.388   12.653  109.875   16.376   93.688   27.257 16.18742 31.79784 
1 1 1   23    1   14 o   77.794   14.872   16.432   5.2098   16.432   5.2098   0.0000   0.0000   77.794   14.872  ?   ?       ?      ? 
1 1 1   23    1   15 o   72.555   15.994   14.690   5.2773   14.690   5.2773   0.0000   0.0000   72.555   15.994  ?   ?       ?      ? 
1 1 1   23    1   16 o   83.204   14.634   23.280   5.8513   26.656   7.0060   15.496   10.639   99.659   15.042   66.749   25.107 32.91019 29.26806 
1 1 1   23    1   17 o   74.107   15.759   15.344   5.2661   12.193   6.0484   25.216   10.706   63.576   18.939   84.638   25.194 -21.06176 31.51858 
1 1 1   23    1   18 o   65.065   14.309   13.635   4.6003   14.315   5.1674   11.038   10.100   71.205   15.927   58.925   23.777 12.27998 28.61837 
1 1 1   23    1   19 o   77.620   11.259   16.938   3.8994   16.791   5.0995   17.146   6.0510   78.372   14.455   76.869   17.266 1.503319 22.51786 
1 1 1   23    1   20 f   42.918   11.096   4.1046   3.0458   1.4101   4.0795   7.4979   4.5782   34.636   14.642   51.200   16.675 -16.56477 22.19125 
1 1 1   23    1   21 o   49.529   11.998   6.8904   3.3874   5.4887   4.7846   8.2991   4.7965   45.604   16.899   53.455   17.037 -7.850956 23.99595 
1 1 1   23    1   22 o   50.140   11.824   7.1686   3.2405   7.6971   4.7868   6.7215   4.4027   51.532   17.064   48.748   16.371 2.784077 23.64712 
1 1 1   23    1   23 o   55.063   12.449   9.1283   3.5696   8.7406   5.9704   9.3440   4.4532   53.524   19.010   56.602   16.080 -3.077827 24.89881 
1 1 1   23    1   24 o   80.828   12.722   19.741   4.5532   19.748   7.8493   19.737   5.5898   76.640   21.200   85.016   14.069 -8.375984 25.44357 
1 1 1   23    1   25 o   64.587   11.963   13.468   3.8527   8.6385   6.1518   16.584   4.9419   52.287   19.199   76.887   14.279 -24.60031 23.92660 
1 1 1   23    2    0 o   73.683   9.8452   14.414   4.2953   14.414   4.2953   14.414   4.2953   73.683   13.923   73.683   13.923 -0.000000 0.000000 
1 1 1   23    2    1 o  102.700   9.0621   26.030   4.3113   22.757   5.6717   30.509   6.6353   95.226   12.744  110.173   12.887 -14.94726 18.12414 
1 1 1   23    2    2 o  114.813   10.164   33.739   5.3859   33.505   8.2446   33.913   7.1136  113.640   15.524  115.986   13.123 -2.346275 20.32745 
1 1 1   23    2    3 f   69.731   11.288   13.003   3.6192   10.403   4.9474   15.998   5.3082   61.730   16.731   77.733   15.156 -16.00263 22.57508 
1 1 1   23    2    4 o   60.744   10.194   9.4384   3.1256   15.173   4.5890   4.4761   4.2687   77.737   12.631   43.752   16.004 33.98539 20.38803 
1 1 1   23    2    5 o   55.497   11.155   8.2722   3.0102   8.6020   4.5807   8.0215   3.9936   56.273   16.408   54.722   15.116 1.551300 22.30918 
1 1 1   23    2    6 f   88.928   9.1403   20.452   3.6361   23.403   4.9987   17.136   5.2989   97.231   11.000   80.625   14.600 16.60569 18.28063 
1 1 1   23    2    7 o   55.956   9.7201   8.3460   2.8159   3.6321   4.0878   12.603   3.8846   40.901   15.521   71.010   11.705 -30.10923 19.44017 
1 1 1   23    2    8 o   87.059   8.4984   19.071   3.4421   18.952   5.0979   19.171   4.6664   86.497   12.611   87.621   11.396 -1.123398 16.99679 
1 1 1   23    2    9 o   55.976   12.116   8.3084   3.1531   9.4738   6.3539   7.9276   3.6318   57.626   19.665   54.326   14.160 3.299755 24.23263 
1 1 1   23    2   10 o   77.655   11.593   15.978   3.7381   17.741   7.2098   15.329   4.3715   77.468   19.830   77.843   12.016 -0.3750839 23.18668 
1 1 1   23    2   11 o   42.993   11.925   3.2688   3.8723  -2.0875   6.0486   6.9885   5.0406   35.346   16.198   50.639   17.506 -15.29369 23.84994 
1 1 1   23    2   12 o   51.763   12.618   7.2673   3.7855   5.0937   5.2891   9.5502   5.4205   45.943   17.602   57.583   18.083 -11.63972 25.23517 
1 1 1   23    2   13 o   43.048   12.027   3.9733   3.6020   2.9753   5.2094   4.8874   4.9859   41.115   16.893   44.982   17.124 -3.867020 24.05455 
1 1 1   23    2   14 o   54.913   12.168   8.2208   3.7707   12.800   5.3963   3.8518   5.2711   66.842   17.181   42.985   17.236 23.85699 24.33612 
1 1 1   23    2   15 o   48.447   12.547   6.1506   3.9399   8.6512   5.0907   2.4155   6.2217   54.893   17.557   42.000   17.930 12.89307 25.09464 
1 1 1   23    2   16 o   67.951   13.050   12.450   4.4762   6.6444   5.6962   21.822   7.2376   49.542   18.422   86.361   18.490 -36.81959 26.10095 
1 1 1   23    2   17 o   77.196   14.538   18.577   5.3064   18.502   6.9916   18.680   8.1496   78.352   19.235   76.039   21.803 2.313026 29.07552 
1 1 1   23    2   18 o   88.091   13.587   24.679   5.4475   17.679   8.8591   28.936   6.9079   72.040   23.174  104.143   14.193 -32.10281 27.17477 
1 1 1   23    2   19 o   66.786   12.566   12.041   4.1987   6.4608   5.3398   21.079   6.7958   48.487   17.875   85.085   17.668 -36.59839 25.13279 
1 1 1   23    2   20 o   53.157   12.875   8.5099   4.1008   10.777   5.0670   4.2059   6.9815   60.617   17.128   45.697   19.227 14.91987 25.74980 
1 1 1   23    2   21 o   70.676   13.775   14.942   4.5985   12.964   5.8341   18.188   7.4722   65.566   18.328   75.786   20.570 -10.21932 27.55051 
1 1 1   23    2   22 o  101.103   12.285   28.626   5.5996   23.163   7.2899   36.487   8.7453   88.272   18.273  113.933   16.424 -25.66164 24.56912 
1 1 1   23    2   23 o  107.179   10.784   30.542   5.2038   27.066   6.4225   37.185   8.8789  100.310   13.700  114.048   16.658 -13.73773 21.56809 
1 1 1   23    2   24 o   51.758   11.512   8.5640   3.7037   11.974   4.4082   0.3799   6.8296   64.698   14.888   38.819   17.563 25.87897 23.02470 
1 1 1   23    2   25 o   45.705   11.242   6.0937   3.4968   9.1505   4.0880  -2.2418   6.7507   55.960   15.226   35.451   16.545 20.50881 22.48499 
1 1 1   23    3    0 o  119.650   11.795   37.306   8.8089   37.306   8.8089   37.306   8.8089  119.650   16.681  119.650   16.681 -0.000000 0.000000 
1 1 1   23    3    1 o  137.801   10.730   49.638   6.7856   45.964   10.327   52.429   9.0014  131.777   16.769  143.825   13.392 -12.04759 21.45969 
1 1 1   23    3    2 o   90.820   9.3953   20.017   3.8020   23.900   6.6436   18.126   4.6363   96.264   14.767   85.375   11.620 10.88965 18.79065 
1 1 1   23    3    3 o   57.411   9.2645   8.9476   2.7600   2.6960   4.0562   14.338   3.7663   38.514   15.225   76.308   10.561 -37.79475 18.52896 
1 1 1   23    3    4 f   46.338   11.084   5.3710   2.8801   4.0992   3.9336   6.8408   4.2286   42.005   15.363   50.670   15.980 -8.665508 22.16719 
1 1 1   23    3    5 o   75.300   9.2633   14.434   3.1716   16.947   4.7102   12.348   4.2897   82.113   12.274   68.488   13.877 13.62469 18.52670 
1 1 1   23    3    6 o   48.706   10.789   6.3144   2.7641   7.3224   3.7918   5.1713   4.0378   52.215   14.839   45.196   15.666 7.018906 21.57786 
1 1 1   23    3    7 o  102.582   8.9022   26.810   4.2288   30.472   5.9557   23.086   6.0054  110.321   11.551   94.844   13.548 15.47669 17.80430 
1 1 1   23    3    8 o   66.926   9.7741   12.285   3.0089   7.5860   4.3969   16.424   4.1265   52.627   16.247   81.225   10.871 -28.59838 19.54824 
1 1 1   23    3    9 o   51.856   11.270   7.3573   2.9786   7.3673   4.5564   7.3498   3.9362   51.789   16.615   51.924   15.230 -0.1349602 22.53924 
1 1 1   23    3   10 o   51.297   10.458   7.1828   2.6384   6.8197   4.0195   7.4577   3.4973   50.020   15.549   52.574   13.989 -2.553913 20.91550 
1 1 1   23    3   11 o   85.667   13.277   20.775   5.1036   24.667   8.0575   18.168   6.5953   91.856   19.379   79.477   18.154 12.37928 26.55383 
1 1 1   23    3   12 o  125.453   11.487   42.787   6.6966   43.266   9.0707   42.214   9.9281  127.265   15.251  123.642   17.181 3.623322 22.97355 
1 1 1   23    3   13 f   82.897   14.057   19.890   5.2148   23.621   8.7167   17.810   6.5078   87.317   21.503   78.476   18.112 8.840805 28.11418 
1 1 1   23    3   14 o   80.485   12.908   18.837   4.7418   18.519   6.8357   19.131   6.5832   79.380   18.728   81.590   17.768 -2.209488 25.81580 
1 1 1   23    3   15 o   57.201   14.433   9.8191   4.8742   10.144   6.8236   9.4808   6.9648   57.959   20.349   56.443   20.473 1.515217 28.86588 
1 1 1   23    3   16 f   83.105   13.159   20.300   4.9579   21.041   7.4649   19.715   6.6318   83.661   19.459   82.550   17.720 1.111038 26.31843 
1 1 1   23    3   17 o   53.120   12.432   7.1739   3.8962   13.232   5.9480   2.6210   5.1566   66.395   18.486   39.846   16.628 26.54891 24.86454 
1 1 1   23    3   18 o   47.592   13.326   5.5168   4.1162   6.5088   7.6308   5.1097   4.8883   50.364   20.541   44.819   16.981 5.544125 26.65120 
1 1 1   23    3   19 o   72.693   14.973   14.661   4.9175   0.0000   0.0000   14.661   4.9175  ?   ?    72.693   14.973      ?      ? 
1 1 1   23    3   20 f   32.004   9.8782  -0.4433   2.8420   2.4626   4.3454  -2.6153   3.7568   37.605   15.437   26.403   12.329 11.20224 19.75647 
1 1 1   23    3   21 o   47.999   12.397   6.4898   3.7025   3.2012   6.7828   7.8855   4.4188   43.633   18.677   52.365   16.308 -8.731480 24.79418 
1 1 1   23    3   22 o   67.794   12.994   14.722   4.2519   11.500   7.3879   16.318   5.1993   59.301   21.138   76.287   15.118 -16.98666 25.98756 
1 1 1   23    3   23 o   57.735   10.849   9.9162   3.1986   13.649   4.3753   5.6313   4.6877   70.267   13.816   45.204   16.731 25.06232 21.69831 
1 1 1   23    3   24 o   60.214   13.270   11.592   4.0298   11.435   7.1833   11.664   4.8680   58.005   20.825   62.423   16.454 -4.418091 26.54082 
1 1 1   23    4    0 o  168.078   9.7321   70.391   10.644   70.391   10.644   70.391   10.644  168.078   13.763  168.078   13.763 -0.000000 0.000000 
1 1 1   23    4    1 o  146.600   10.345   56.413   6.9495   62.119   9.3523   49.378   10.385  156.704   12.770  136.496   16.279 20.20770 20.69030 
1 1 1   23    4    2 f   70.572   10.491   12.998   3.3186   15.648   5.1823   11.155   4.3207   76.572   15.018   64.573   14.653 11.99959 20.98227 
1 1 1   23    4    3 o   82.683   9.9815   18.631   3.5596   14.420   5.6153   21.460   4.6025   72.194   16.935   93.172   10.570 -20.97783 19.96308 
1 1 1   23    4    4 f  103.246   8.0199   26.604   3.8683   26.277   5.5221   26.919   5.4206  102.516   11.526  103.975   11.155 -1.458694 16.03986 
1 1 1   23    4    5 o   86.020   11.054   21.658   3.9914   14.009   6.5679   26.137   5.0260   69.278   19.475  102.761   10.465 -33.48272 22.10833 
1 1 1   23    4    6 o   89.708   8.6706   20.286   3.6140   21.115   5.4488   19.634   4.8291   91.025   12.808   88.390   11.690 2.634682 17.34113 
1 1 1   23    4    7 o   47.091   11.064   5.7276   2.9225   3.8582   4.0817   7.6941   4.1865   41.213   15.541   52.969   15.752 -11.75581 22.12764 
1 1 1   23    4    8 o   55.614   11.209   9.3237   3.3213   11.880   4.0021   3.6674   5.9529   67.070   13.238   44.158   18.091 22.91216 22.41708 
1 1 1   23    4    9 o   77.591   10.473   16.305   3.6714   23.290   5.3331   10.013   5.0618   95.862   11.904   59.320   17.234 36.54237 20.94555 
1 1 1   23    4   10 o  118.347   8.4994   36.023   4.6241   39.249   6.2295   32.064   6.9010  125.361   10.633  111.334   13.263 14.02767 16.99885 
1 1 1   23    4   11 o  107.628   11.840   31.193   5.5982   21.421   7.4194   44.111   8.5306   85.562   19.044  129.694   14.074 -44.13216 23.68051 
1 1 1   23    4   12 o   52.732   12.678   7.6229   3.8584   10.479   5.5399   4.9322   5.3770   59.920   18.188   45.544   17.668 14.37643 25.35683 
1 1 1   23    4   13 o   41.685   11.818   3.5470   3.5022   3.3010   5.1378   3.7605   4.7865   41.508   16.883   41.862   16.542 -0.3542557 23.63612 
1 1 1   23    4   14 o   78.905   12.153   17.347   4.3189   21.251   6.7318   14.616   5.6303   86.412   17.273   71.398   17.099 15.01370 24.30528 
1 1 1   23    4   15 o   41.169   12.555   2.1897   4.2886  -4.2425   8.9682   4.0966   4.8831   39.725   18.708   42.612   16.749 -2.886913 25.11046 
1 1 1   23    4   16 o   61.004   15.367   11.093   5.0147   14.089   10.123   10.118   5.7729   63.923   24.384   58.086   18.709 5.836441 30.73470 
1 1 1   23    4   17 o   47.797   12.350   6.2150   3.5902   6.4484   5.2082   6.0037   4.9557   48.439   17.684   47.154   17.244 1.285820 24.69969 
1 1 1   23    4   18 o   84.577   12.342   20.780   4.7173   18.725   6.6627   22.846   6.6799   79.394   18.328   89.760   16.533 -10.36609 24.68301 
1 1 1   23    4   19 o   37.374   11.410   1.1860   3.7325  -2.9254   6.4450   3.2608   4.5785   34.840   16.229   39.907   16.042 -5.067455 22.81906 
1 1 1   23    4   20 o   56.613   15.625   5.7297   4.0581   20.838   12.199   3.8499   4.3032   72.444   26.956   40.782   15.810 31.66179 31.25003 
1 1 1   23    4   21 o   32.243   10.368  -0.9593   3.0659   0.1963   5.7852  -1.4106   3.6154   36.892   16.470   27.594   12.599 9.298010 20.73621 
1 1 1   23    4   22 o   48.265   12.702   6.5012   3.6244   6.6128   6.8291   6.4575   4.2763   48.956   19.623   47.573   16.133 1.382687 25.40325 
1 1 1   23    4   23 o   44.196   11.920   5.3407   3.5352   1.1545   6.8096   6.8852   4.1363   39.783   17.807   48.609   15.851 -8.826099 23.83980 
1 1 1   23    4   24 o   42.868   11.513   4.5555   3.7098  -3.7148   6.9246   7.8849   4.3936   34.373   16.264   51.364   16.298 -16.99117 23.02516 
1 1 1   23    5    0 o   97.513   8.1648   23.896   5.0680   23.896   5.0680   23.896   5.0680   97.513   11.547   97.513   11.547 -0.000000 0.000000 
1 1 1   23    5    1 o  140.565   9.1618   50.589   5.9896   45.629   8.5090   55.459   8.4326  133.025   13.687  148.105   12.183 -15.07983 18.32355 
1 1 1   23    5    2 o  138.515   11.025   52.311   6.7960   43.682   10.688   58.166   8.8049  125.641   18.203  151.389   12.445 -25.74794 22.05037 
1 1 1   23    5    3 o  168.706   11.796   78.241   8.9454   69.373   14.057   84.276   11.597  156.848   19.177  180.565   13.742 -23.71748 23.59215 
1 1 1   23    5    4 o   66.053   11.249   11.945   3.5225   16.388   5.1631   8.0764   4.8178   78.212   14.664   53.895   17.064 24.31669 22.49886 
1 1 1   23    5    5 o   92.530   8.9590   21.780   3.8663   20.455   5.2692   23.326   5.6907   89.541   12.592   95.518   12.748 -5.976662 17.91799 
1 1 1   23    5    6 o   72.067   13.056   14.806   4.2276   14.339   5.1399   15.783   7.4329   72.251   15.673   71.883   20.884 0.3674774 26.11103 
1 1 1   23    5    7 o  138.129   8.7087   47.830   5.5746   41.991   7.3420   55.780   8.5662  128.416   12.234  147.842   12.398 -19.42531 17.41742 
1 1 1   23    5    8 o   53.010   10.110   7.1673   2.8355   2.8643   3.8250   12.416   4.2247   37.838   14.839   68.181   13.733 -30.34318 20.21903 
1 1 1   23    5    9 o   29.808   9.0448   0.3536   2.2728  -0.3286   3.2186   1.0322   3.2099   28.290   12.475   31.326   13.100 -3.036943 18.08958 
1 1 1   23    5   10 o   49.022   12.484   5.8969   3.3442   5.0122   3.9199   8.2626   6.4105   44.049   15.426   53.995   19.633 -9.945789 24.96807 
1 1 1   23    5   11 o   38.555   11.481   1.9688   3.5361   0.9950   5.3278   2.7356   4.7275   37.625   16.331   39.486   16.143 -1.861534 22.96296 
1 1 1   23    5   12 o   46.992   11.869   4.1362   3.6811   10.845   5.6852  -0.7071   4.8303   60.627   18.430   33.357   14.959 27.26954 23.73707 
1 1 1   23    5   13 o   89.725   12.000   22.923   4.8026   20.743   7.4615   24.465   6.2754   83.133   19.536   96.317   13.941 -13.18456 23.99973 
1 1 1   23    5   14 o   84.396   12.020   20.336   4.5478   19.000   7.1783   21.231   5.8779   79.266   19.509   89.527   14.048 -10.26038 24.04083 
1 1 1   23    5   15 o   72.678   13.372   15.634   4.3387   16.731   7.9328   15.165   5.1825   71.683   21.766   73.673   15.541 -1.989296 26.74484 
1 1 1   23    5   16 o   86.812   13.260   21.079   4.8982   26.652   8.9313   18.682   5.8578   92.071   21.195   81.553   15.941 10.51820 26.52032 
1 1 1   23    5   17 o   88.513   13.409   23.681   5.1496   22.143   9.0595   24.415   6.2590   81.300   22.878   95.727   13.990 -14.42670 26.81710 
1 1 1   23    5   18 o   78.224   12.224   18.641   4.5630   24.925   6.1702   11.056   6.7788   97.034   13.606   59.414   20.312 37.62082 24.44753 
1 1 1   23    5   19 o   80.564   16.855   21.626   6.0758   25.131   13.815   20.785   6.7651   76.839   28.667   84.289   17.735 -7.450432 33.70947 
1 1 1   23    5   20 o   71.529   13.670   19.868   5.3043  -0.9612   15.604   22.589   5.6402   50.465   24.032   92.593   13.034 -42.12782 27.33906 
1 1 1   23    5   21 o   64.032   16.503   11.237   4.5529   22.365   14.609   10.041   4.7915   69.880   28.452   58.184   16.728 11.69546 33.00500 
1 1 1   23    5   22 o   43.507   12.928   2.4571   4.0181   9.3161   7.8243   0.0003   4.6827   53.777   21.181   33.238   14.829 20.53868 25.85639 
1 1 1   23    5   23 o   68.652   13.609   15.304   4.3388   15.086   8.2866   15.386   5.0927   64.321   22.434   72.983   15.414 -8.661903 27.21885 
1 1 1   23    6    0 o   45.956   14.812   7.9294   4.8845   7.9294   4.8845   7.9294   4.8845   45.956   20.948   45.956   20.948 -0.000000 0.000000 
1 1 1   23    6    1 o   98.288   9.5098   24.082   4.2853   20.068   5.4630   30.504   6.9092   88.170   13.258  108.406   13.637 -20.23626 19.01964 
1 1 1   23    6    2 o   40.557   10.208   2.2830   2.7952  -1.7583   3.6571   7.9602   4.3346   27.561   12.617   53.554   16.051 -25.99294 20.41654 
1 1 1   23    6    3 f   48.021   12.944   4.6164   3.0989   3.8553   3.3619   8.9171   7.9920   39.845   14.253   56.198   21.612 -16.35337 25.88871 
1 1 1   23    6    4 o   68.729   14.075   13.880   4.2490   13.790   4.7416   14.249   9.5742   71.342   14.710   66.116   24.000 5.226395 28.14956 
1 1 1   23    6    5 o   81.853   9.2395   17.286   3.5344   17.439   5.0121   17.135   4.9847   82.226   13.043   81.479   13.090 0.7474823 18.47899 
1 1 1   23    6    6 o   66.616   9.6299   11.835   2.8716   11.730   3.7949   11.976   4.3924   66.834   12.612   66.398   14.556 0.4353714 19.25986 
1 1 1   23    6    7 o   82.169   9.2629   18.095   3.3374   20.423   4.4043   14.954   5.1145   90.494   10.414   73.844   15.322 16.65049 18.52586 
1 1 1   23    6    8 o   35.544   8.7359   1.5469   2.2493  -3.1764   3.2060   6.1258   3.1566   23.353   11.055   47.736   13.530 -24.38304 17.47184 
1 1 1   23    6    9 o   49.934   9.6901   6.8652   2.5556   9.9824   3.4593   3.1200   3.7918   61.532   12.457   38.337   14.846 23.19460 19.38027 
1 1 1   23    6   10 o   83.630   11.182   19.257   4.2607   21.713   6.0051   16.768   6.0461   90.701   14.167   76.559   17.305 14.14217 22.36409 
1 1 1   23    6   11 f   54.357   12.332   8.3498   3.6510   5.8670   5.0895   10.982   5.2405   47.243   17.444   61.471   17.436 -14.22796 24.66415 
1 1 1   23    6   12 o   68.802   12.936   15.178   4.4647   9.0898   7.5626   18.436   5.5316   55.522   21.101   82.082   14.972 -26.56031 25.87292 
1 1 1   23    6   13 o   61.279   12.279   8.5395   3.6618   19.160   6.8650   4.3161   4.3291   80.334   18.645   42.224   15.985 38.10971 24.55876 
1 1 1   23    6   14 o   39.703   10.872   3.5495   2.8701   2.9767   4.4420   3.9600   3.7605   39.058   15.765   40.347   14.975 -1.289371 21.74413 
1 1 1   23    6   15 o   32.901   9.9737   0.7015   2.7823  -0.6110   3.9712   1.9669   3.8993   30.410   13.606   35.392   14.587 -4.981993 19.94737 
1 1 1   23    6   16 o   38.652   11.016   2.8698   3.0082   2.4372   3.8760   3.5251   4.7703   36.438   14.720   40.865   16.393 -4.426971 22.03204 
1 1 1   23    6   17 o   57.251   12.698   10.494   4.2270   3.4369   7.7354   13.498   5.0472   45.603   19.736   68.899   15.984 -23.29638 25.39647 
1 1 1   23    6   18 o   63.047   14.341   12.899   4.9009   10.267   8.0240   14.466   6.1895   57.117   21.729   68.977   18.721 -11.86015 28.68146 
1 1 1   23    6   19 o   52.193   13.139   8.1818   4.4512   2.0381   7.7409   11.217   5.4406   43.394   19.230   60.993   17.910 -17.59864 26.27853 
1 1 1   23    6   20 o   58.812   16.684   9.2173   5.2354   19.817   14.391   7.6004   5.6206   66.929   27.841   50.695   18.391 16.23401 33.36730 
1 1 1   23    6   21 o   53.483   13.875   9.3765   4.4341   0.4896   12.883   10.571   4.7226   47.426   22.362   59.540   16.434 -12.11467 27.75073 
1 1 1   23    6   22 o   50.913   12.721   8.3161   4.0404   2.6901   8.0165   10.232   4.6780   43.508   19.408   58.318   16.450 -14.81003 25.44169 
1 1 1   23    7    0 o   71.383   11.913   14.508   4.8812   14.508   4.8812   14.508   4.8812   71.383   16.848   71.383   16.848 -0.000000 0.000000 
1 1 1   23    7    1 o   58.733   11.135   9.8220   3.2256   12.302   4.3810   6.8863   4.7669   67.410   14.347   50.057   17.033 17.35266 22.26996 
1 1 1   23    7    2 o   87.703   15.782   23.227   6.0999   21.383   7.2910   27.530   11.136   85.714   18.725   89.691   25.409 -3.977318 31.56343 
1 1 1   23    7    3 o   61.140   11.880   10.620   3.4879   10.413   4.7084   10.872   5.1924   60.782   16.258   61.499   17.325 -0.7169800 23.75915 
1 1 1   23    7    4 o   85.907   11.972   21.191   4.0210   21.840   4.6331   19.211   8.0942   93.428   10.611   78.386   21.465 15.04171 23.94438 
1 1 1   23    7    5 o   57.802   10.293   8.9993   3.5152   16.124   4.7821   0.6230   5.1850   78.983   12.955   36.621   16.000 42.36181 20.58686 
1 1 1   23    7    6 o   45.029   10.798   5.4227   2.7707   3.7356   4.3944   6.5360   3.5697   41.105   15.965   48.954   14.542 -7.848820 21.59517 
1 1 1   23    7    7 o  103.038   8.2078   27.198   3.9079   23.991   5.6924   30.057   5.3745   96.488   12.623  109.588   10.494 -13.10002 16.41566 
1 1 1   23    7    8 o  103.477   7.7836   27.010   3.7608   26.787   5.4162   27.218   5.2260  102.885   11.264  104.069   10.745 -1.183830 15.56711 
1 1 1   23    7    9 o   88.106   11.448   20.253   4.1346   18.669   4.8288   24.604   8.0040   85.320   12.110   90.892   19.431 -5.572327 22.89605 
1 1 1   23    7   10 o   75.641   11.989   15.777   3.9253   14.583   4.7615   18.311   6.9348   73.151   14.440   78.132   19.142 -4.980362 23.97808 
1 1 1   23    7   11 o   66.902   12.302   13.007   3.8399   13.452   6.0016   12.698   4.9965   66.978   18.542   66.826   16.173 0.1523285 24.60376 
1 1 1   23    7   12 o  123.063   9.5336   39.885   5.4365   33.940   7.5636   46.239   7.8194  112.628   14.369  133.498   12.533 -20.87021 19.06720 
1 1 1   23    7   13 o   73.219   11.323   15.171   3.7664   14.759   5.2854   15.596   5.3685   72.117   16.090   74.321   15.935 -2.203949 22.64535 
1 1 1   23    7   14 o  107.833   10.980   30.573   5.3697   37.584   9.0047   26.704   6.6891  115.864   16.629   99.802   14.341 16.06174 21.95931 
1 1 1   23    7   15 o   76.683   12.901   18.105   4.5578   14.743   7.7623   19.874   5.6306   66.976   21.707   86.391   13.946 -19.41586 25.80112 
1 1 1   23    7   16 o  142.415   19.332   83.940   10.885   52.959   21.543   94.562   12.614   97.194   35.889  187.637   14.384 -90.44341 38.66397 
1 1 1   23    7   17 o   81.629   14.561   20.669   5.4636   23.316   8.6968   18.943   7.0223   84.573   21.848   78.686   19.253 5.886597 29.12108 
1 1 1   23    7   18 o  118.870   11.520   39.101   6.2150   42.692   10.175   36.964   7.8498  120.920   18.004  116.820   14.378 4.099686 23.04070 
1 1 1   23    7   19 o   57.735   13.863   10.760   4.4640   9.5419   7.4944   11.430   5.5574   54.653   20.950   60.816   18.163 -6.162518 27.72678 
1 1 1   23    7   20 o   35.057   11.049  -0.0006   3.8026  -6.3022   7.0016   2.6358   4.5287   32.401   15.605   37.713   15.647 -5.312145 22.09894 
1 1 1   23    7   21 o   66.863   17.983   13.942   5.7416   0.0000   0.0000   13.942   5.7416  ?   ?    66.863   17.983      ?      ? 
1 1 1   23    8    0 o   81.601   11.336   18.275   5.4405   18.275   5.4405   18.275   5.4405   81.601   16.031   81.601   16.031 -0.000000 0.000000 
1 1 1   23    8    1 o   63.935   10.861   13.343   3.4301   16.653   4.0293   4.6277   6.5372   81.504   10.578   46.366   18.973 35.13742 21.72223 
1 1 1   23    8    2 o   61.949   10.830   10.561   3.1360   12.972   4.6490   8.5469   4.2480   68.712   14.906   55.186   15.714 13.52660 21.65935 
1 1 1   23    8    3 o   52.988   12.040   7.6025   3.3563   10.277   5.3369   5.8524   4.3168   59.299   17.819   46.677   16.197 12.62294 24.08012 
1 1 1   23    8    4 o   60.101   11.388   9.7714   3.0727   11.617   5.5868   8.9710   3.6791   62.788   18.067   57.414   13.867 5.374023 22.77530 
1 1 1   23    8    5 o   84.043   11.171   20.463   4.0154   15.987   6.6594   23.021   5.0333   72.803   19.271   95.283   11.303 -22.48029 22.34103 
1 1 1   23    8    6 o   82.752   14.823   18.683   5.5222   0.0000   0.0000   18.683   5.5222  ?   ?    82.752   14.823      ?      ? 
1 1 1   23    8    7 o   69.963   15.865   16.557   5.9036   14.054   10.559   17.695   7.1205   63.912   24.768   76.014   19.834 -12.10268 31.73083 
1 1 1   23    8    8 o  135.316   13.101   52.583   7.8365   39.402   10.727   67.671   11.476  113.171   21.056  157.461   15.595 -44.29021 26.20210 
1 1 1   23    8    9 o  135.871   11.119   49.209   6.7588   45.796   8.3393   55.742   11.538  131.790   13.540  139.952   17.641 -8.162598 22.23762 
1 1 1   23    8   10 o   52.297   12.938   6.5599   3.4994   4.7453   4.0392   12.019   7.0064   42.953   15.589   61.641   20.652 -18.68811 25.87524 
1 1 1   23    8   11 o   57.761   14.463   10.386   4.9950   12.395   6.7316   7.9250   7.4511   62.780   20.201   52.742   20.703 10.03783 28.92572 
1 1 1   23    8   12 o  134.499   19.476   66.216   11.109   68.040   13.439   62.282   19.738  152.274   18.885  116.725   34.067 35.54893 38.95107 
1 1 1   23    8   13 o   74.972   15.311   18.364   5.6635   18.723   7.6564   17.929   8.4161   76.770   20.816   73.173   22.459 3.596916 30.62225 
1 1 1   23    8   14 o   88.755   14.506   24.374   5.9113   20.799   8.0584   28.540   8.6979   80.724   21.118   96.786   19.894 -16.06164 29.01263 
1 1 1   23    8   15 o   58.866   15.055   11.002   5.2881   10.035   7.0501   12.246   7.9960   56.746   20.596   60.986   21.964 -4.239735 30.10978 
1 1 1   23    8   16 o   56.211   13.467   9.6942   4.2012   9.5949   6.3459   9.7717   5.6055   55.737   19.620   56.685   18.451 -0.9482231 26.93326 
1 1 1   23    8   17 o  106.163   12.618   32.076   5.9897   43.197   9.3311   24.282   7.8114  123.708   16.140   88.617   19.399 35.09147 25.23517 
1 1 1   23    8   18 o   45.972   12.970   4.6444   4.2087   9.3872   6.7749   1.6638   5.3707   54.185   20.103   37.758   16.393 16.42733 25.93902 
1 1 1   23    8   19 o   32.240   10.828  -2.9445   3.9736  -9.5430   8.6262  -1.1673   4.4768   33.772   16.506   30.708   14.021 3.063744 21.65676 
1 1 1   23    8   20 o   50.743   14.710   7.8433   5.4921   6.1569   9.8407   8.6062   6.6188   49.438   21.806   52.049   19.750 -2.610706 29.42099 
1 1 1   23    9    0 o   37.280   16.519   4.3110   8.4258   4.3110   8.4258   4.3110   8.4258   37.280   23.361   37.280   23.361 -0.000000 0.000000 
1 1 1   23    9    1 o   42.486   11.880   3.9341   3.4372   5.0104   5.4267   3.2131   4.4417   45.324   17.703   39.649   15.849 5.674290 23.76082 
1 1 1   23    9    2 o   32.933   10.152  -0.2327   2.6315   3.0027   5.0768  -1.4214   3.0771   40.454   16.656   25.412   11.611 15.04178 20.30324 
1 1 1   23    9    3 o   47.067   10.997   6.1407   2.8149   5.2515   4.5111   6.7077   3.6024   44.881   16.446   49.254   14.604 -4.372669 21.99429 
1 1 1   23    9    4 o   44.050   10.702   4.5224   2.6890   7.8896   4.3815   2.4878   3.4058   52.629   16.214   35.472   13.974 17.15704 21.40420 
1 1 1   23    9    5 o   58.173   10.759   9.5408   2.9649   8.8360   4.2732   10.195   4.1170   55.777   15.719   60.569   14.694 -4.791748 21.51736 
1 1 1   23    9    6 o  114.810   10.234   34.089   5.3830   28.885   6.8391   42.562   8.7268  104.139   14.052  125.480   14.881 -21.34174 20.46735 
1 1 1   23    9    7 o   74.712   10.534   14.728   3.4161   18.154   5.8571   12.961   4.2056   80.109   16.201   69.315   13.468 10.79427 21.06772 
1 1 1   23    9    8 o   42.233   12.577   1.4778   2.4188   9.9360   8.6782   0.7654   2.5186   56.709   22.316   27.756   11.605 28.95359 25.15345 
1 1 1   23    9    9 o  100.644   10.756   27.141   4.9983   30.668   7.8335   24.719   6.4914  105.399   15.903   95.888   14.485 9.510559 21.51110 
1 1 1   23    9   10 o  117.954   11.170   37.701   6.0908   42.836   9.5031   34.121   7.9348  123.955   16.404  111.953   15.166 12.00259 22.34045 
1 1 1   23    9   11 o   96.435   12.199   26.381   5.2490   27.407   8.3454   25.709   6.7518   95.402   19.379   97.467   14.822 -2.065002 24.39738 
1 1 1   23    9   12 o   52.323   13.298   8.0070   4.1339   7.7568   6.2694   8.1995   5.4986   51.809   19.315   52.837   18.283 -1.028339 26.59567 
1 1 1   23    9   13 o  105.509   12.034   31.909   5.6488   30.333   8.7407   33.039   7.4022  100.211   19.364  110.806   14.294 -10.59509 24.06839 
1 1 1   23    9   14 o   67.614   13.213   15.551   5.1863   22.096   6.5260   4.3317   8.5442   87.798   16.510   47.430   20.634 40.36818 26.42649 
1 1 1   23    9   15 o   51.228   13.573   7.9204   4.6451   10.200   5.6312   3.0668   8.2168   57.433   18.476   45.022   19.889 12.41143 27.14630 
1 1 1   23    9   16 o   44.884   13.269   4.6974   4.4862   5.3284   5.3214   3.1472   8.3410   44.879   17.530   44.889   19.924 -0.1055908E-01 26.53783 
1 1 1   23    9   17 o   41.512   12.711   0.0831   4.5242  -4.5573   5.5754   9.0291   7.7413   30.027   14.317   52.997   21.007 -22.97039 25.42166 
1 1 1   23    9   18 o   40.176   12.731   1.2884   4.7513   0.3892   5.9478   2.8740   7.8983   36.822   16.550   43.531   19.351 -6.708565 25.46284 
1 1 1   23   10    0 o  114.813   10.944   34.823   7.8803   34.823   7.8803   34.823   7.8803  114.813   15.478  114.813   15.478 -0.000000 0.000000 
1 1 1   23   10    1 o   94.651   14.534   24.105   6.4293   0.0000   0.0000   24.105   6.4293  ?   ?    94.651   14.534      ?      ? 
1 1 1   23   10    2 o   44.351   11.298   5.3296   3.0884   1.3017   6.0797   6.7305   3.5855   39.451   17.278   49.250   14.561 -9.798542 22.59585 
1 1 1   23   10    3 o   40.357   10.372   3.9637   2.7950  -0.5643   4.9510   6.0816   3.3861   33.663   15.117   47.050   14.206 -13.38661 20.74451 
1 1 1   23   10    4 o   56.056   11.675   8.8122   3.1406   10.080   5.4112   8.1683   3.8567   58.106   18.038   54.006   14.828 4.100376 23.35032 
1 1 1   23   10    5 o   83.176   11.239   19.671   4.0881   20.837   5.1680   17.721   6.6828   89.664   12.333   76.687   18.793 12.97656 22.47819 
1 1 1   23   10    6 o   44.123   10.151   5.1995   2.3741   5.7272   3.6846   4.8249   3.1045   45.750   14.963   42.496   13.723 3.253536 20.30293 
1 1 1   23   10    7 o   77.235   9.9253   15.979   3.2585   16.368   5.7357   15.794   3.9596   75.463   16.705   79.007   10.724 -3.543457 19.85053 
1 1 1   23   10    8 o   36.283   9.9692   2.4413   2.0928   4.0696   4.4311   1.9739   2.3742   41.553   16.061   31.013   11.814 10.53959 19.93840 
1 1 1   23   10    9 o   31.401   9.6824  -0.4952   2.7497   2.4343   4.1508  -2.7864   3.6708   37.025   15.130   25.778   12.086 11.24651 19.36473 
1 1 1   23   10   10 o   43.780   10.850   4.2835   2.9546   1.0763   3.9168   8.5182   4.5006   33.353   14.232   54.207   16.380 -20.85479 21.69948 
1 1 1   23   10   11 o   58.467   13.231   10.383   4.0421   11.523   6.2842   9.5789   5.2791   60.521   19.523   56.413   17.862 4.108231 26.46101 
1 1 1   23   10   12 o   46.837   12.845   5.7846   4.0269   7.2798   5.9280   4.5036   5.4872   50.044   18.757   43.630   17.553 6.414589 25.68943 
1 1 1   23   10   13 o   87.080   18.070   22.867   7.1129   22.867   7.1129   0.0000   0.0000   87.080   18.070  ?   ?       ?      ? 
1 1 1   23   10   14 o   62.158   18.778   12.297   5.9150   12.297   5.9150   0.0000   0.0000   62.158   18.778  ?   ?       ?      ? 
1 1 1   23   10   15 o   89.037   15.257   27.006   6.2439   25.656   9.7953   27.930   8.1037   83.338   23.906   94.736   18.965 -11.39722 30.51496 
1 1 1   23   10   16 o   46.872   12.405   3.8327   4.3081  -3.3335   5.7910   12.714   6.4468   31.853   15.011   61.891   19.754 -30.03814 24.81001 
1 1 1   23   11    0 o   36.656   13.205   5.2325   4.0213   5.2325   4.0213   5.2325   4.0213   36.656   18.674   36.656   18.674 -0.000000 0.000000 
1 1 1   23   11    1 o   34.853   9.9421   2.1776   2.4966   2.1093   3.5123   2.2473   3.5495   34.625   14.004   35.080   14.116 -0.4544144 19.88418 
1 1 1   23   11    2 o   46.004   10.035   5.3377   2.7538   0.9189   3.9266   9.6143   3.8630   33.088   14.188   58.920   14.196 -25.83181 20.07074 
1 1 1   23   11    3 o   44.759   12.285   4.9037   3.8540   7.0064   4.8843   1.4346   6.2737   49.587   17.227   39.931   17.518 9.656021 24.56975 
1 1 1   23   11    4 o   53.174   12.149   8.2799   3.4543   7.5232   4.9395   9.0041   4.8324   50.983   17.339   55.364   17.023 -4.380089 24.29832 
1 1 1   23   11    5 o   85.804   10.044   19.676   3.7018   20.865   6.3940   19.076   4.5401   85.268   16.642   86.340   11.251 -1.072136 20.08894 
1 1 1   23   11    6 o   44.042   10.387   5.4821   2.5227   2.8849   4.9521   6.3923   2.9316   39.598   16.390   48.487   12.763 -8.888371 20.77349 
1 1 1   23   11    7 o   35.346   10.371   1.7966   2.8347   0.6326   3.8830   3.1248   4.1479   32.232   13.966   38.460   15.335 -6.227646 20.74136 
1 1 1   23   11    8 o   64.467   12.542   12.557   3.8959   13.516   5.6743   11.701   5.3586   66.763   17.844   62.172   17.630 4.590961 25.08447 
1 1 1   23   11    9 o   71.907   11.489   16.096   4.2325   6.6756   6.2487   24.082   5.7533   48.620   18.995   95.195   12.932 -46.57461 22.97888 
1 1 1   23   11   10 o   54.950   11.633   8.9408   3.1914   8.6611   4.1747   9.3342   4.9504   54.458   15.602   55.442   17.260 -0.9840813 23.26652 
1 1 1   23   11   11 o   31.728   9.8703  -0.8797   3.1013  -5.5310   4.6588   2.8218   4.1560   26.099   12.610   37.356   15.188 -11.25687 19.74063 
1 1 1   23   11   12 f   80.180   15.225   21.587   5.7737   24.961   8.9308   19.163   7.5679   84.808   22.253   75.552   20.783 9.255913 30.44902 
1 1 1   23   11   13 f   52.419   13.675   8.7288   4.4246   8.5487   6.3323   8.9006   6.1849   51.994   19.406   52.843   19.274 -0.8489799 27.35081 
1 1 1   23   12    0 o   47.106   13.090   7.8056   3.9080   7.8056   3.9080   7.8056   3.9080   47.106   18.512   47.106   18.512 -0.000000 0.000000 
1 1 1   23   12    1 o   58.199   12.910   10.472   3.9400   12.297   5.7020   8.8051   5.4504   62.848   18.301   53.549   18.214 9.298828 25.81973 
1 1 1   23   12    2 o   92.521   9.5612   23.098   4.1003   23.429   5.5081   22.687   6.1406   94.142   12.519   90.901   14.454 3.240700 19.12231 
1 1 1   23   12    3 f   62.380   11.787   13.095   3.8476   15.663   4.4742   5.8020   7.5390   77.005   12.432   47.754   20.030 29.25067 23.57480 
1 1 1   23   12    4 o   52.872   10.378   8.0724   2.7441   10.226   3.8183   5.7722   3.9463   60.503   13.808   45.242   15.497 15.26107 20.75652 
1 1 1   23   12    5 o   36.266   10.298   2.5751   2.5268   3.4136   4.4409   2.1736   3.0726   39.290   15.797   33.242   13.216 6.048164 20.59630 
1 1 1   23   12    6 o   90.734   12.052   24.085   4.9591   30.418   7.3194   18.711   6.7424  104.305   15.015   77.163   18.856 27.14134 24.10438 
1 1 1   23   12    7 o   56.818   12.945   9.9008   3.8133   11.717   6.2431   8.8201   4.8162   59.824   19.472   53.812   17.063 6.011688 25.89064 
1 1 1   23   12    8 o   53.490   12.670   9.0958   3.8127   6.9171   6.3555   10.321   4.7655   48.570   19.103   58.410   16.648 -9.839577 25.33911 
1 1 1   23   12    9 f   89.078   14.228   26.411   5.7741   22.828   9.4924   28.516   7.2747   77.971   23.839  100.185   15.537 -22.21362 28.45518 
1 1 1   24    0    0 o   24.297   10.900   0.6980   3.7969   0.6980   3.7969   0.6980   3.7969   24.297   15.415   24.297   15.415 -0.000000 0.000000 
1 1 1   24    0    1 o   35.242   11.776   4.6222   3.1038   4.6222   3.1038   4.6222   3.1038   35.242   16.653   35.242   16.653 -0.000000 0.000000 
1 1 1   24    0    2 o   25.844   10.585   2.2314   2.9458   2.2314   2.9458   2.2314   2.9458   25.844   14.969   25.844   14.969 -0.000000 0.000000 
1 1 1   24    0    3 o   31.861   11.808   3.8471   3.2776   3.8471   3.2776   3.8471   3.2776   31.861   16.700   31.861   16.700 -0.000000 0.000000 
1 1 1   24    0    4 o   57.023   12.092   9.9967   3.9708   9.9967   3.9708   9.9967   3.9708   57.023   17.101   57.023   17.101 -0.000000 0.000000 
1 1 1   24    0    5 o   48.119   12.414   7.7186   3.6371   7.7186   3.6371   7.7186   3.6371   48.119   17.556   48.119   17.556 -0.000000 0.000000 
1 1 1   24    0    6 o   28.203   11.344   2.8196   3.2940   2.8196   3.2940   2.8196   3.2940   28.203   16.042   28.203   16.042 -0.000000 0.000000 
1 1 1   24    0    7 o   41.239   12.596   6.1638   3.5338   6.1638   3.5338   6.1638   3.5338   41.239   17.813   41.239   17.813 -0.000000 0.000000 
1 1 1   24    0    8 o   53.535   15.114   10.335   5.1802   10.335   5.1802   10.335   5.1802   53.535   21.375   53.535   21.375 -0.000000 0.000000 
1 1 1   24    0    9 o   76.417   12.705   16.971   5.5749   16.971   5.5749   16.971   5.5749   76.417   17.968   76.417   17.968 -0.000000 0.000000 
1 1 1   24    0   10 o   71.369   16.380   17.091   6.8339   17.091   6.8339   17.091   6.8339   71.369   23.165   71.369   23.165 -0.000000 0.000000 
1 1 1   24    0   11 o   49.741   19.362   11.664   9.2183   11.664   9.2183   11.664   9.2183   49.741   27.382   49.741   27.382 -0.000000 0.000000 
1 1 1   24    0   13 o   51.056   19.692   12.660   9.4364   12.660   9.4364   12.660   9.4364   51.056   27.849   51.056   27.849 -0.000000 0.000000 
1 1 1   24    0   14 o   30.828   14.617   0.0002   8.3440   0.0002   8.3440   0.0002   8.3440   30.828   20.671   30.828   20.671 -0.000000 0.000000 
1 1 1   24    0   15 o   45.289   16.662   8.9822   6.4896   8.9822   6.4896   8.9822   6.4896   45.289   23.564   45.289   23.564 -0.000000 0.000000 
1 1 1   24    1    0 f   46.224   12.322   7.2194   3.5242   7.2194   3.5242   7.2194   3.5242   46.224   17.426   46.224   17.426 -0.000000 0.000000 
1 1 1   24    1    1 o   36.183   9.2872   2.6075   2.1875   5.1611   3.1832   0.3227   3.0111   43.738   13.872   28.629   12.352 15.10880 18.57438 
1 1 1   24    1    2 o   53.428   9.9384   7.8230   2.5572   5.9433   3.5228   9.9168   3.7181   46.496   14.574   60.361   13.516 -13.86473 19.87682 
1 1 1   24    1    3 o   46.105   10.259   5.8250   2.4923   4.8526   3.5667   6.7529   3.4841   42.808   14.730   49.402   14.283 -6.594727 20.51738 
1 1 1   24    1    4 o   32.498   9.1141   1.0716   2.3527  -2.7323   3.5690   3.9948   3.1286   25.448   11.926   39.548   13.785 -14.10002 18.22811 
1 1 1   24    1    5 f   56.171   11.592   8.5734   3.1293   6.9858   3.8756   11.547   5.3042   49.887   15.229   62.455   17.481 -12.56829 23.18430 
1 1 1   24    1    6 o  110.512   9.1028   32.101   4.5723   32.613   5.8833   31.322   7.2655  113.136   11.127  107.888   14.409 5.247108 18.20557 
1 1 1   24    1    7 o   76.218   10.821   15.925   3.7778   12.243   5.0909   20.438   5.6359   64.840   16.699   87.597   13.767 -22.75696 21.64172 
1 1 1   24    1    8 o   72.271   11.563   14.847   3.8292   11.841   5.1610   18.528   5.7114   63.388   17.050   81.154   15.626 -17.76611 23.12689 
1 1 1   24    1    9 o   97.969   10.325   26.468   4.3863   24.992   7.1645   27.353   5.5475   92.849   17.142  103.089   11.514 -10.23976 20.65032 
1 1 1   24    1   10 o   68.373   10.813   13.563   3.3705   11.326   5.4365   14.960   4.2957   61.008   17.900   75.739   12.136 -14.73069 21.62602 
1 1 1   24    1   11 o   54.734   12.552   9.0475   3.9009   5.3762   5.6331   12.430   5.4072   45.458   17.951   64.010   17.550 -18.55229 25.10467 
1 1 1   24    1   12 o   39.618   11.616   2.7693   3.4556   1.4384   4.4071   4.8932   5.5677   35.072   15.034   44.163   17.712 -9.091702 23.23257 
1 1 1   24    1   13 o   47.926   12.480   6.6821   3.7311   5.2165   5.3768   8.0433   5.1819   44.491   17.548   51.360   17.750 -6.868935 24.95943 
1 1 1   24    1   14 o   81.276   14.120   22.835   5.6044   16.428   9.1197   26.723   7.1042   65.691   23.478   96.861   15.694 -31.17035 28.23985 
1 1 1   24    1   15 o   96.772   14.059   30.061   6.1377   32.216   8.4898   27.701   8.8836  102.523   18.395   91.021   21.267 11.50147 28.11825 
1 1 1   24    2    0 o   56.327   11.548   9.5938   3.7309   9.5938   3.7309   9.5938   3.7309   56.327   16.331   56.327   16.331 -0.000000 0.000000 
1 1 1   24    2    1 o   83.957   8.1937   18.087   3.2089   19.126   4.5165   17.029   4.5598   86.667   11.151   81.247   12.009 5.419891 16.38744 
1 1 1   24    2    2 o   80.816   8.3347   16.749   3.1438   17.895   4.5749   15.724   4.3273   83.464   11.728   78.169   11.845 5.295441 16.66933 
1 1 1   24    2    3 o   58.882   11.809   10.078   3.4054   10.901   4.8742   9.2946   4.7597   61.277   16.606   56.487   16.795 4.789883 23.61837 
1 1 1   24    2    4 o   58.248   12.133   10.080   3.6849   6.8595   5.3807   12.925   5.0569   49.411   17.984   67.085   16.292 -17.67423 24.26581 
1 1 1   24    2    5 o   62.675   10.926   11.712   3.6582   17.251   4.8679   4.5239   5.5449   81.180   12.831   44.169   17.689 37.01075 21.85275 
1 1 1   24    2    6 o   35.755   9.8562   2.4482   2.3497   3.8788   3.7272   1.5046   3.0271   39.913   14.890   31.597   12.918 8.315613 19.71243 
1 1 1   24    2    7 o   53.143   11.307   7.9082   3.0580   10.197   4.6328   6.1408   4.0710   59.327   16.236   46.960   15.742 12.36674 22.61473 
1 1 1   24    2    8 o   66.669   10.863   12.280   3.2340   14.051   5.3049   11.232   4.0798   69.561   16.557   63.776   14.066 5.784740 21.72516 
1 1 1   24    2    9 o   48.920   10.438   7.0800   3.2391   11.025   3.9203  -1.4057   5.7498   63.352   13.644   34.487   15.800 28.86484 20.87579 
1 1 1   24    2   10 o   50.103   12.007   7.5463   3.5629   9.5345   4.4127   3.8227   6.0391   57.193   15.923   43.013   17.976 14.17931 24.01400 
1 1 1   24    2   11 o   76.858   14.686   19.327   5.3908   21.546   8.0082   17.488   7.2899   80.810   21.009   72.907   20.525 7.903015 29.37111 
1 1 1   24    2   12 o   99.902   12.845   30.594   5.6529   26.753   8.8142   33.277   7.3677   89.792   21.322  110.012   14.330 -20.22057 25.68985 
1 1 1   24    2   13 o   55.321   12.955   9.7632   4.1155   6.3392   6.2228   12.425   5.4868   47.410   18.821   63.232   17.808 -15.82196 25.91054 
1 1 1   24    2   14 o   74.198   13.331   17.555   4.6393   16.457   6.8493   18.486   6.3061   70.664   19.896   77.732   17.749 -7.068756 26.66183 
1 1 1   24    3    0 o   77.502   9.3885   15.962   4.3854   15.962   4.3854   15.962   4.3854   77.502   13.277   77.502   13.277 -0.000000 0.000000 
1 1 1   24    3    1 o   84.313   9.3768   18.570   3.6577   17.579   4.7996   19.944   5.6492   82.189   12.495   86.436   13.984 -4.247223 18.75363 
1 1 1   24    3    2 o   38.021   10.701   2.9506   2.8562   3.3109   3.9409   2.5520   4.1453   38.745   15.099   37.298   15.167 1.447620 21.40152 
1 1 1   24    3    3 o   62.654   12.166   11.580   3.6560   11.410   5.5665   11.710   4.8482   61.546   18.128   63.762   16.229 -2.216129 24.33106 
1 1 1   24    3    4 o  119.809   9.4470   38.843   4.9467   34.500   8.2541   41.276   6.1793  111.650   15.819  127.968   10.332 -16.31860 18.89403 
1 1 1   24    3    5 o   87.171   9.5783   20.624   3.7036   18.281   5.6469   22.393   4.9062   80.726   15.531   93.615   11.214 -12.88916 19.15668 
1 1 1   24    3    6 o   72.353   12.583   14.974   4.2107   11.504   5.4232   20.241   6.6815   61.878   17.799   82.829   17.791 -20.95119 25.16598 
1 1 1   24    3    7 o   52.290   11.572   8.3811   3.5535   11.348   4.3489   2.4205   6.1642   63.492   14.910   41.089   17.700 22.40277 23.14346 
1 1 1   24    3    8 o   66.360   11.208   12.766   3.4408   11.298   4.9983   14.089   4.7437   61.779   16.847   70.941   14.787 -9.162525 22.41632 
1 1 1   24    3    9 o   43.714   10.564   5.0701   2.7716   2.3890   4.0541   7.4229   3.7977   36.400   14.923   51.028   14.958 -14.62770 21.12884 
1 1 1   24    3   10 o   45.726   11.238   5.9295   2.9264   6.4383   3.6511   5.0153   4.8938   47.618   14.822   43.833   16.897 3.785378 22.47666 
1 1 1   24    3   11 o   62.503   12.729   12.256   3.9724   10.449   5.8445   13.807   5.4157   57.327   18.849   67.679   17.112 -10.35244 25.45831 
1 1 1   24    3   12 o   65.484   12.272   13.213   3.8800   10.691   5.5447   15.633   5.4312   58.208   18.290   72.761   16.368 -14.55299 24.54489 
1 1 1   24    3   13 o   43.342   12.037   4.9004   3.5614   4.6861   5.2558   5.0823   4.8427   43.094   17.235   43.589   16.807 -0.4947014 24.07312 
1 1 1   24    4    0 o   75.535   14.381   17.449   6.2046   17.449   6.2046   17.449   6.2046   75.535   20.337   75.535   20.337 -0.000000 0.000000 
1 1 1   24    4    1 o   83.422   11.766   20.411   4.4152   16.253   6.7074   23.591   5.8650   72.393   19.422   94.452   13.287 -22.05869 23.53209 
1 1 1   24    4    2 o   82.835   11.275   16.764   3.7784   26.337   7.6734   13.700   4.3412   94.627   18.009   71.044   13.570 23.58230 22.54915 
1 1 1   24    4    3 o   55.102   10.842   8.5053   2.8265   9.2505   4.6419   8.0662   3.5632   56.291   16.547   53.914   14.013 2.377094 21.68302 
1 1 1   24    4    4 o   92.354   10.947   22.274   4.4906   17.358   5.6058   31.079   7.5024   78.192   15.882  106.517   15.071 -28.32436 21.89458 
1 1 1   24    4    5 o   67.519   10.792   12.916   3.3299   14.031   4.7078   11.800   4.7106   70.969   14.679   64.069   15.825 6.899841 21.58479 
1 1 1   24    4    6 o   95.171   9.7230   24.272   4.3198   25.823   6.2046   22.812   6.0180   98.341   13.500   92.002   13.996 6.339363 19.44604 
1 1 1   24    4    7 o   72.307   9.9656   14.530   3.2583   16.070   4.3825   12.626   4.8722   78.583   11.933   66.032   15.964 12.55122 19.93114 
1 1 1   24    4    8 o   98.140   8.3102   25.043   3.7877   24.945   5.0892   25.164   5.6713   98.501   11.055   97.779   12.411 0.7219315 16.62043 
1 1 1   24    4    9 o  107.016   8.4330   29.948   4.2137   28.284   5.8896   31.692   6.0309  103.761   12.145  110.271   11.702 -6.509995 16.86592 
1 1 1   24    4   10 o   87.720   9.4012   20.038   3.7834   17.142   4.8211   24.680   6.1042   80.107   12.877   95.334   13.700 -15.22751 18.80244 
1 1 1   24    4   11 o   76.666   11.836   17.473   4.1225   18.012   5.8446   16.940   5.8156   78.097   16.528   75.235   16.947 2.861992 23.67251 
1 1 1   24    4   12 o   39.278   11.408   2.9635   3.5567  -1.0049   5.8788   5.2547   4.4669   34.819   15.961   43.738   16.304 -8.918530 22.81600 
1 1 1   24    5    0 o   56.950   13.970   10.830   4.7455   10.830   4.7455   10.830   4.7455   56.950   19.756   56.950   19.756 -0.000000 0.000000 
1 1 1   24    5    1 o   36.233   10.748   1.4304   3.1267   4.0335   4.7086  -0.6227   4.1818   41.566   16.412   30.900   13.884 10.66526 21.49687 
1 1 1   24    5    2 f   36.521   11.964  -0.4414   3.9715   0.5261   4.3371  -5.4647   9.8830   33.392   14.610   39.651   18.949 -6.258591 23.92742 
1 1 1   24    5    3 o   34.467   11.236  -0.9355   3.2758   0.8058   7.5541  -1.3388   3.6354   41.223   18.578   27.710   12.645 13.51374 22.47285 
1 1 1   24    5    4 o   69.189   10.701   13.587   3.3683   12.227   4.7586   14.952   4.7685   65.053   15.807   73.324   14.429 -8.271034 21.40250 
1 1 1   24    5    5 o  106.706   8.2395   29.341   4.0511   30.825   6.3247   28.309   5.2752  108.166   12.511  105.247   10.725 2.918983 16.47900 
1 1 1   24    5    6 o   75.945   10.133   15.381   3.3694   17.976   5.7728   14.041   4.1495   78.717   16.231   73.174   12.134 5.542542 20.26529 
1 1 1   24    5    7 f   46.777   10.254   6.1872   2.4768   5.8699   3.5171   6.4995   3.4886   45.658   14.592   47.896   14.410 -2.238136 20.50813 
1 1 1   24    5    8 o   61.094   9.6706   10.458   2.7044   12.150   3.8190   8.7553   3.8304   66.890   12.680   55.298   14.604 11.59240 19.34121 
1 1 1   24    5    9 o  117.957   9.9958   36.948   5.1193   34.794   6.1495   41.809   9.2396  115.639   11.379  120.275   16.437 -4.636093 19.99157 
1 1 1   24    5   10 o   55.651   11.389   9.0325   3.1868   6.6815   4.2782   11.963   4.7765   47.779   16.137   63.523   16.076 -15.74356 22.77788 
1 1 1   24    5   11 o   45.496   12.237   5.6974   3.5225   6.5520   5.6942   5.1676   4.4832   47.490   18.247   43.501   16.310 3.989429 24.47437 
1 1 1   24    6    0 o   80.401   10.957   17.897   5.1987   17.897   5.1987   17.897   5.1987   80.401   15.496   80.401   15.496 -0.000000 0.000000 
1 1 1   24    6    1 o  104.102   10.457   29.725   5.0428   28.082   6.6456   31.954   7.7425  101.581   13.998  106.624   15.538 -5.042732 20.91348 
1 1 1   24    6    2 o   50.003   11.575   7.3428   3.1425   6.3302   4.4890   8.3158   4.4006   46.980   16.504   53.026   16.235 -6.045155 23.15084 
1 1 1   24    6    3 o   53.609   11.881   9.3565   3.9057   1.0688   7.2449   12.752   4.6372   40.569   18.247   66.650   15.221 -26.08075 23.76188 
1 1 1   24    6    4 o   47.539   10.017   6.4495   2.8884   0.5575   4.5630   10.389   3.7311   33.823   14.887   61.256   13.405 -27.43291 20.03303 
1 1 1   24    6    5 o  107.723   8.1651   30.248   4.0745   30.266   5.4338   30.224   6.1585  108.539   10.712  106.908   12.326 1.630913 16.33026 
1 1 1   24    6    6 o   52.080   10.288   7.7822   2.5958   7.8314   3.5183   7.7234   3.8454   52.540   14.054   51.620   15.028 0.9204025 20.57598 
1 1 1   24    6    7 o   70.888   10.058   14.532   3.1970   16.937   4.2054   11.239   4.9207   80.822   11.134   60.955   16.755 19.86705 20.11647 
1 1 1   24    6    8 o   41.990   9.4567   4.4987   2.3007   7.5805   3.3197   1.6506   3.1914   51.914   13.541   32.066   13.204 19.84875 18.91335 
1 1 1   24    6    9 o   97.365   7.4550   24.360   3.3910   23.675   4.7990   25.044   4.7923   95.855   10.713   98.876   10.371 -3.021500 14.91006 
1 1 1   24    7    0 o   32.782   12.265   4.2151   3.5610   4.2151   3.5610   4.2151   3.5610   32.782   17.345   32.782   17.345 -0.000000 0.000000 
1 1 1   24    7    1 o   64.395   9.2386   11.578   2.8243   18.656   4.1047   5.2145   3.8921   85.443   10.279   43.346   15.354 42.09605 18.47720 
1 1 1   24    7    2 o  107.708   8.7075   30.823   4.3116   30.202   6.6444   31.274   5.6667  105.508   13.475  109.907   11.032 -4.398880 17.41499 
1 1 1   24    7    3 o   42.187   10.849   4.7378   2.7444   5.6153   4.2158   4.0925   3.6153   44.624   15.961   39.749   14.697 4.874649 21.69713 
1 1 1   24    7    4 o   56.942   11.785   9.8847   3.2729   9.3688   5.6431   10.146   4.0176   54.377   18.532   59.507   14.565 -5.129593 23.57064 
1 1 1   24    7    5 o   64.059   12.248   12.209   3.7728   16.234   5.8502   9.3425   4.9366   73.013   17.393   55.104   17.249 17.90884 24.49555 
1 1 1   24    7    6 o   64.102   10.584   11.827   3.1067   12.151   4.5704   11.548   4.2358   64.615   15.360   63.589   14.566 1.025574 21.16862 
#END OF REFLECTIONS
